Compounds

Showing 101 through 200 of 10131
Rank Compound SMILES ΔG / kcal M-1 pIC50
101 EN300-11934_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CCCC5=O −10.6 ± 0.2 7.7 ± 0.2
102 EN300-87334_3 molecule Cn1c(ncn1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.6 ± 0.3 7.7 ± 0.2
103 EN300-317082_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC5COC5 −10.6 ± 0.2 7.7 ± 0.2
104 DAR-DIA-6a508060-9 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CCC5CCCCC5 −10.5 ± 0.3 7.7 ± 0.2
105 EN300-264301_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5CCC(=O)N5 −10.5 ± 0.2 7.7 ± 0.2
106 EN300-264744_3 molecule CC(C)(C(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)F)O −10.5 ± 0.3 7.7 ± 0.2
107 EN300-343474_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5CCNC5=O −10.5 ± 0.3 7.7 ± 0.2
108 EN300-143564_1 molecule CN1C(=O)CSC1=CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.5 ± 0.2 7.7 ± 0.2
109 EN300-6238494_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)C5COCCO5 −10.5 ± 0.2 7.7 ± 0.2
110 EN300-310888_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5nnc6n5CCOCC6 −10.5 ± 0.3 7.7 ± 0.2
111 EN300-7444316_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]([C@@H](C5)C(=O)N)C(=O)N −10.5 ± 0.5 7.7 ± 0.4
112 EN300-152337_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5CCC(=O)NCC5 −10.5 ± 0.4 7.6 ± 0.3
113 DAR-DIA-23e5a6a0-4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4OC5CC6(CC6)CN5)Cl −10.5 ± 0.5 7.6 ± 0.3
114 EN300-6482967_3 molecule CNS(=O)(=O)CCOCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.5 ± 0.3 7.6 ± 0.2
115 EN300-171766_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5n[nH]c(=O)s5 −10.5 ± 0.2 7.6 ± 0.2
116 EN300-244909_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCOCC5)CO −10.5 ± 0.4 7.6 ± 0.3
117 JAG-UCB-706446eb-5 molecule COCCN(C1CCCOC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.5 ± 0.2 7.6 ± 0.1
118 EN300-1253178_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NC5CC5 −10.5 ± 0.1 7.6 ± 0.1
119 EN300-181492_1 molecule C=CC(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.5 ± 0.3 7.6 ± 0.2
120 EN300-299532_1 molecule CC(C)(C(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)O −10.5 ± 0.2 7.6 ± 0.1
121 EN300-62574_2 molecule Cn1c(nnn1)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.5 ± 0.3 7.6 ± 0.2
122 EN300-315963_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5cnoc5 −10.4 ± 0.2 7.6 ± 0.2
123 EN300-1726073_3 molecule Cn1c(cnn1)C(C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)(F)F −10.4 ± 0.3 7.6 ± 0.2
124 VLA-UCB-50c39ae8-6 molecule c1ccc2c(c1)cncc2N(C(=O)CCl)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −10.4 ± 0.2 7.6 ± 0.1
125 EN300-59478_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCC(=O)N −10.4 ± 0.3 7.6 ± 0.2
126 EN300-21258_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCO −10.4 ± 0.3 7.6 ± 0.2
127 MAK-UNK-3875bbc8-2 molecule CN(c1cncc2c1cccc2)C(=O)C3CCOc4c3cc(cc4)Cl −10.43 ± 0.09 7.60 ± 0.07
128 EN300-1600786_1 molecule Cn1cc(nn1)CCO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.2 7.6 ± 0.1
129 EN300-120282_3 molecule Cn1cc(nn1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3 7.6 ± 0.2
130 EN300-115017_1 molecule CC(C)[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.4 ± 0.2 7.6 ± 0.2
131 EN300-1708882_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5COC[C@H]5O −10.4 ± 0.3 7.6 ± 0.2
132 EN300-47606_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)NCC5CCS(=O)(=O)C5 −10.4 ± 0.5 7.6 ± 0.4
133 EN300-203293_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC5CNC(=O)O5 −10.4 ± 0.2 7.6 ± 0.2
134 EN300-107048_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5(CC5)CO −10.4 ± 0.3 7.6 ± 0.2
135 EN300-248526_3 molecule c1ccc(cc1)C(COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)(C(=O)N)O −10.4 ± 0.4 7.6 ± 0.3
136 EN300-17184_1 molecule C=CCNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.2 7.6 ± 0.1
137 MAK-UNK-83e0a0b4-3 molecule c1ccc2c(c1)cncc2N(CCNC3CNC3)C(=O)C4CCOc5c4cc(cc5)Cl −10.4 ± 0.4 7.6 ± 0.3
138 EN300-1659582_1 molecule C#CCNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.1 7.56 ± 0.08
139 DAR-DIA-23e5a6a0-3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4OC5CC6(N5)COC6)Cl −10.4 ± 0.2 7.6 ± 0.2
140 EN300-861925_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC(CO)F −10.4 ± 0.2 7.6 ± 0.2
141 EN300-1724086_1 molecule CC1CC(CN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C(=O)N −10.4 ± 0.3 7.6 ± 0.2
142 EN300-65839_3 molecule CCC(C(=O)N)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.3 7.5 ± 0.2
143 EN300-4293814_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CS(=O)(=O)CCO −10.4 ± 0.5 7.5 ± 0.4
144 EN300-18249_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)N −10.4 ± 0.2 7.5 ± 0.2
145 EN300-222969_3 molecule CN1CC(OC1=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.3 7.5 ± 0.2
146 EN300-62857_3 molecule COCCS(=O)(=O)CCCOCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.5 7.5 ± 0.3
147 DAR-DIA-5ff57136-18 molecule c1ccc2c(c1)cncc2N(C(=O)[C@@H]3CCOc4c3cc(cc4)Cl)N=C=S −10.3 ± 0.1 7.5 ± 0.1
148 DAR-DIA-5ff57136-2 molecule C[C@H]1COc2ccc(cc2[C@@H]1C(=O)N(c3cncc4c3cccc4)C(=O)C=C)Cl −10.3 ± 0.2 7.5 ± 0.1
149 EN300-175186_4 molecule CC(CO)OCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.3 7.5 ± 0.2
150 EN300-1072972_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5CCOC5=O −10.3 ± 0.3 7.5 ± 0.2
151 VLA-UCB-50c39ae8-10 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC5CCCCC5 −10.3 ± 0.3 7.5 ± 0.2
152 EN300-120586_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)NCC(F)F −10.3 ± 0.3 7.5 ± 0.2
153 EN300-364992_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC[C@H]5CC[C@H](O5)C(=O)N −10.3 ± 0.4 7.5 ± 0.3
154 EN300-216673_3 molecule Cn1c(cnn1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.3 7.5 ± 0.2
155 EN300-7463171_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCS(=O)(=O)CCO −10.3 ± 0.5 7.5 ± 0.4
156 EN300-317555_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC5=NCCO5 −10.3 ± 0.3 7.5 ± 0.2
157 EN300-05512_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NC5CCS(=O)(=O)C5 −10.3 ± 0.3 7.5 ± 0.2
158 EN300-102347_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC5(COC5)CO −10.3 ± 0.3 7.5 ± 0.2
159 EN300-216063_3 molecule CN(C)C(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.2 7.5 ± 0.1
160 EN300-295905_1 molecule CC1CN(CC(O1)C(=O)N)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.3 7.5 ± 0.2
161 EN300-153257_1 molecule CC(C)C(CO)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.2 7.5 ± 0.2
162 EN300-62574_4 molecule Cn1c(nnn1)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.4 7.5 ± 0.3
163 VLA-UCB-50c39ae8-1 molecule CC(=O)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −10.2 ± 0.1 7.5 ± 0.1
164 EN300-6487407_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5[C@H](CC(=O)O5)O −10.2 ± 0.4 7.5 ± 0.3
165 VLA-UCB-34f3ed0c-9 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C(=O)CCc5c[nH]c(=O)o5 −10.2 ± 0.3 7.4 ± 0.2
166 EN300-44873_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCN5CCCS5(=O)=O −10.2 ± 0.4 7.4 ± 0.3
167 EN300-298552_1 molecule COC(C1CCOC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.2 7.4 ± 0.2
168 EN300-204936_3 molecule Cn1c(cnn1)C(=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.3 7.4 ± 0.2
169 EN300-1267093_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]6C[C@@]6(C5)O −10.2 ± 0.3 7.4 ± 0.2
170 EN300-42154_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CS(=O)(=O)C5CCCC5 −10.2 ± 0.3 7.4 ± 0.2
171 EN300-128277_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(=O)NCC(F)F −10.2 ± 0.2 7.4 ± 0.2
172 EN300-74089_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCOCC5)C#N −10.2 ± 0.4 7.4 ± 0.3
173 EN300-19700_3 molecule COC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.2 ± 0.1 7.42 ± 0.09
174 EN300-1265948_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N5CCS(=O)(=O)CC5 −10.2 ± 0.3 7.4 ± 0.2
175 EN300-1717166_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CC56CC(C6)O −10.2 ± 0.3 7.4 ± 0.2
176 EN300-304662_2 molecule Cc1nnc(o1)CCC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.3 7.4 ± 0.2
177 EN300-73772_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCc5[nH]c(=O)[nH]n5 −10.2 ± 0.3 7.4 ± 0.2
178 EN300-198633_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5CCCCNC5=O −10.2 ± 0.3 7.4 ± 0.2
179 EN300-7102031_1 molecule COCC(CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)COC −10.1 ± 0.3 7.4 ± 0.2
180 JAG-UCB-706446eb-8 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)Cc5cccc(c5)CN −10.1 ± 0.3 7.4 ± 0.2
181 EN300-85760_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CCO5 −10.1 ± 0.2 7.4 ± 0.2
182 EN300-19700_1 molecule COC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.1 7.38 ± 0.08
183 EN300-69215_1 molecule CN(C)C(=O)CCCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.3 7.4 ± 0.2
184 EN300-110012_3 molecule CCC(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)N(C)C −10.1 ± 0.4 7.4 ± 0.3
185 EN300-258477_1 molecule C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC −10.1 ± 0.2 7.4 ± 0.2
186 EN300-69070_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CC5)C(=O)N −10.1 ± 0.3 7.4 ± 0.2
187 EN300-62574_1 molecule Cn1c(nnn1)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.2 7.4 ± 0.2
188 EN300-261210_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCOC5)C#N −10.1 ± 0.3 7.4 ± 0.2
189 EN300-213358_1 molecule Cn1c(ncn1)COCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.4 7.4 ± 0.3
190 EN300-113112_3 molecule Cn1cnnc1COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.2 7.3 ± 0.2
191 EN300-77006_1 molecule Cc1nc(on1)COCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3 7.3 ± 0.2
192 EN300-7457159_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5cc(on5)C6(COC6)O −10.1 ± 0.3 7.3 ± 0.2
193 EN300-139167_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC5COCCO5 −10.1 ± 0.2 7.3 ± 0.1
194 EDJ-MED-28ec730d-4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5c[nH]nc5 −10.1 ± 0.2 7.3 ± 0.1
195 EN300-90225_1 molecule Cn1nc(nn1)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.2 7.3 ± 0.2
196 EN300-206870_1 molecule Cc1nnc(s1)COCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3 7.3 ± 0.2
197 DAR-DIA-0d514e7d-28 molecule C[C@H]1COc2ccc(cc2[C@]1(C)C(=O)Nc3cncc4c3cccc4)Cl −10.1 ± 0.1 7.33 ± 0.08
198 EN300-181938_1 molecule CC(CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(C=C)O −10.1 ± 0.2 7.3 ± 0.2
199 EN300-7353672_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(C(CC5)O)CO −10.1 ± 0.5 7.3 ± 0.4
200 EN300-31969_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5CC(=O)N(C5)CC6CC6 −10.0 ± 0.3 7.3 ± 0.2
Last updated 2021-02-01T21:51:17.843969+00:00
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