Compounds

Showing 6101 through 6185 of 6426
Rank Compound SMILES ΔG / kcal M-1 pIC50
6101 LON-WEI-5e7d1b3e-37 molecule CCN(CC)S(=O)(=O)c1ccc(cc1)NC(=O)Nc2cn(c(=O)c3c2cccc3)C −3.7 ± 0.7 2.7 ± 0.5
6102 VLA-UCB-50c39ae8-4 molecule CC(=O)N1CCN(CC1)CC(=O)N(c2cncc3c2cccc3)C(=O)[C@@H]4CCOc5c4cc(cc5)Cl −3.6 ± 0.4 2.7 ± 0.3
6103 ALP-UNI-0676e700-14 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cnc6c(cnn6c5)C#N −3.6 ± 0.2 2.6 ± 0.1
6104 LON-WEI-4d77710c-33 molecule CC1c2cc(c(cc2CCN1C(=O)Nc3cn(c(=O)c4c3cccc4)C)OC)OC −3.6 ± 0.4 2.6 ± 0.3
6105 EN300-1387104_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CCS5(=O)=O −3.6 ± 0.2 2.6 ± 0.1
6106 EN300-52325_2_1 molecule CCCS(=O)(=O)CC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −3.6 ± 0.2 2.6 ± 0.2
6107 EN300-146051_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccc(nc5)CO −3.5 ± 0.2 2.6 ± 0.1
6108 MAK-UNK-c749d764-24 molecule CCN(c1cncc2c1cccc2)C(=O)CC3CCCC(C3O)C(F)F −3.5 ± 0.3 2.6 ± 0.2
6109 MAT-POS-b5746674-99 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)N3CCN(CC3)c4ccccn4 −3.5 ± 0.7 2.6 ± 0.5
6110 EN300-305454_2_1 molecule Cn1cc(cn1)[C@@H]2CCO[C@@H]2C(=O)NC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −3.5 ± 0.2 2.6 ± 0.1
6111 MAT-POS-2492181e-10 molecule CC1CCCCN1CCCNC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C −3.5 ± 0.5 2.5 ± 0.4
6112 MAT-POS-b5746674-103 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)N3CCN(CC3)c4ccccc4F −3.4 ± 0.6 2.5 ± 0.4
6113 LON-WEI-4d77710c-20 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCCc3c[nH]c4c3cccc4 −3.4 ± 0.7 2.5 ± 0.5
6114 EN300-31210_4_2 molecule C[C@H](C(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NS(=O)(=O)C −3.4 ± 0.4 2.5 ± 0.3
6115 EN300-368758_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cn(nn5)C[C@@H]6CCCO6 −3.4 ± 0.2 2.5 ± 0.2
6116 MAT-POS-b5746674-35 molecule Cn1cc(c2ccccc2c1=O)NC(=O)NCCN(Cc3ccco3)C4CCCC4 −3.4 ± 0.5 2.5 ± 0.4
6117 PET-UNK-4dc48bbe-6 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@H](NC3=O)c4cccc(c4)Cl −3.3 ± 0.2 2.4 ± 0.2
6118 EN300-195855_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccc(cn5)n6cncn6 −3.3 ± 0.2 2.4 ± 0.1
6119 EDG-MED-971238d3-10 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)O −3.3 ± 0.2 2.4 ± 0.1
6120 EN300-1253122_4_1 molecule CCN(C)C(=O)COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −3.3 ± 0.3 2.4 ± 0.2
6121 EN300-716207_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cn(nn5)C(CO)(F)F −3.3 ± 0.2 2.4 ± 0.2
6122 EN300-7431365_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cc6n(c5)CCCNC6=O −3.3 ± 0.2 2.4 ± 0.2
6123 LON-WEI-4d77710c-34 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)N3CCC(C3)c4ccccc4 −3.3 ± 0.5 2.4 ± 0.4
6124 LON-WEI-4d77710c-16 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCCN3CCOCC3 −3.3 ± 0.7 2.4 ± 0.5
6125 LON-WEI-5e7d1b3e-22 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)Nc3cccnc3 −3.3 ± 0.4 2.4 ± 0.3
6126 LON-WEI-5e7d1b3e-44 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCc3ccco3 −3.2 ± 0.4 2.4 ± 0.3
6127 MAT-POS-b5746674-108 molecule Cc1ccc(cc1)CN2CCC(C2)CNC(=O)Nc3cn(c(=O)c4c3cccc4)CC(C)C −3.2 ± 0.4 2.3 ± 0.3
6128 MAK-UNK-c749d764-20 molecule CCCN(c1cncc2c1cccc2)C(=O)CC3CCCC(C3O)C(F)F −3.2 ± 0.4 2.3 ± 0.3
6129 EN300-2690393_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cc(cnc5)n6cnnn6 −3.1 ± 0.2 2.3 ± 0.2
6130 EN300-314455_2_1 molecule CS(=O)(=O)[N@]1CCC[C@@H](C1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −3.1 ± 0.2 2.3 ± 0.2
6131 LON-WEI-5e7d1b3e-49 molecule Cn1cc(c2ccccc2c1=O)NC(=O)NCc3ccccn3 −3.1 ± 0.4 2.3 ± 0.3
6132 NAU-LAT-4ce8bf23-2 molecule c1ccc2c(c1)cncc2N(CCC(=O)N)C(=O)Cc3cccc(c3)Cl −3.0 ± 0.4 2.2 ± 0.3
6133 EN300-31183_2_2 molecule C[C@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)COC −3.0 ± 0.2 2.2 ± 0.1
6134 EDJ-MED-d203f206-21 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@H](C5)c6[nH]nnn6 −3.0 ± 0.4 2.2 ± 0.3
6135 LON-WEI-4d77710c-56 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)Nc3ccsc3C(=O)OC −3.0 ± 0.5 2.2 ± 0.3
6136 MAT-POS-b5746674-110 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)N3CCN(CC3)Cc4ccccc4 −3.0 ± 0.8 2.2 ± 0.6
6137 EN300-6477475_2_1 molecule COCc1cc(no1)CC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −3.0 ± 0.2 2.2 ± 0.1
6138 EN300-366852_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H](C5)c6[nH]nnn6 −2.9 ± 0.3 2.1 ± 0.2
6139 EN300-88656_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CCCS5(=O)=O −2.9 ± 0.2 2.1 ± 0.1
6140 EN300-685492_2_1 molecule COCc1[nH]c(=O)c(cn1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −2.9 ± 0.3 2.1 ± 0.2
6141 EN300-24014_2_1 molecule CS(=O)(=O)[N@@]1CCCC[C@@H]1C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −2.8 ± 0.3 2.0 ± 0.3
6142 ALP-UNI-0676e700-13 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccc(nc5)S(=O)(=O)N −2.8 ± 0.3 2.0 ± 0.2
6143 VLA-UCB-05e51b3f-7 molecule CC(=O)N1CCN(CC1)CC(=O)N(c2cncc3c2cccc3)C(=O)[C@H]4CCOc5c4cc(cc5)Cl −2.8 ± 0.6 2.0 ± 0.4
6144 ALP-UNI-0676e700-25 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cc6nccn6c(=O)[nH]5 −2.7 ± 0.2 2.0 ± 0.2
6145 EDJ-MED-4c7486ba-12 molecule c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@]5(CCSC5)O −2.7 ± 0.2 2.0 ± 0.2
6146 MAT-POS-281d2ee9-3 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)c4[nH]nnn4 −2.7 ± 0.3 2.0 ± 0.2
6147 MAT-POS-b5746674-100 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCCCN3CCCC3=O −2.6 ± 0.7 1.9 ± 0.5
6148 MAT-POS-b5746674-97 molecule CCOC(=O)N1CCC(CC1)NC(=O)Nc2cn(c(=O)c3c2cccc3)C −2.6 ± 0.6 1.9 ± 0.4
6149 EN300-118045_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cnc([nH]c5=O)C6CC6 −2.5 ± 0.2 1.9 ± 0.2
6150 EN300-7430501_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CCn6c(cnn6)C5 −2.5 ± 0.1 1.80 ± 0.08
6151 EN300-255086_2_1 molecule C[NH+](C)CCn1cc(cn1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −2.4 ± 0.3 1.8 ± 0.2
6152 LON-WEI-4d77710c-35 molecule Cc1ccc(cc1)CN2CCC(C2)CNC(=O)Nc3cn(c(=O)c4c3cccc4)CC(C)C −2.4 ± 0.5 1.7 ± 0.3
6153 EN300-14752_4_1 molecule CC(=O)N1CCC[C@@H](C1)C(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −2.4 ± 0.3 1.7 ± 0.3
6154 LON-WEI-5e7d1b3e-60 molecule CC1CCN(CC1)CCCNC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C −2.2 ± 0.6 1.6 ± 0.4
6155 EN300-95698_3_2 molecule C[C@H]1CC(=O)NC[C@@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −2.1 ± 0.3 1.5 ± 0.2
6156 MAK-UNK-c749d764-19 molecule c1ccc2c(c1)cncc2N(CN)C(=O)CC3CCCC(C3O)C(F)F −2.1 ± 0.2 1.5 ± 0.1
6157 EN300-4287199_2_1 molecule Cc1cc(cc(=O)n1C)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −2.1 ± 0.2 1.5 ± 0.1
6158 MAT-POS-2492181e-7 molecule CC1CCN(CC1)CCNC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C −2.0 ± 0.5 1.5 ± 0.4
6159 EN300-51028_2_1 molecule CC(C)S(=O)(=O)CC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −2.0 ± 0.2 1.5 ± 0.1
6160 EDJ-MED-d203f206-16 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@H]5c6[nH]nnn6 −2.0 ± 0.4 1.5 ± 0.3
6161 MAT-POS-2492181e-12 molecule CCCN(CCC)CCNC(=O)Nc1cn(c(=O)c2c1cccc2)CC(C)C −1.9 ± 0.7 1.4 ± 0.5
6162 EN300-259187_1_2 molecule CCN1C[C@H](CCC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −1.9 ± 0.3 1.4 ± 0.2
6163 LON-WEI-4d77710c-15 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCCCN3CCCC3=O −1.8 ± 0.8 1.3 ± 0.6
6164 EDJ-MED-4c7486ba-5 molecule c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CNC(=O)Cn5ccnc5 −1.7 ± 0.2 1.3 ± 0.2
6165 MAT-POS-2492181e-6 molecule CC1CCN(CC1)CCCNC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C −1.7 ± 0.6 1.2 ± 0.5
6166 EN300-42154_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CS(=O)(=O)C5CCCC5 −1.6 ± 0.3 1.2 ± 0.2
6167 EDJ-MED-4c7486ba-10 molecule c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5COCCN5CC(F)(F)F −1.4 ± 0.2 1.0 ± 0.1
6168 EN300-28177_2_3 molecule C[C@@H](C(=O)N1CCC[C@H](C1)C(=O)N)OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −1.4 ± 0.3 1.0 ± 0.2
6169 EN300-52983_1_2 molecule CN1C[C@H](CCC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −1.1 ± 0.3 0.8 ± 0.2
6170 LON-WEI-5e7d1b3e-56 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)Nc3ccsc3C(=O)OC −1.1 ± 0.5 0.8 ± 0.3
6171 EN300-36845_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CNC(=O)C5CCCC5 −1.1 ± 0.2 0.8 ± 0.1
6172 EDJ-MED-4c7486ba-6 molecule c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CNC(=O)Cc5cnc[nH]5 −0.9 ± 0.2 0.6 ± 0.1
6173 ALP-UNI-0676e700-29 molecule CS(=O)(=O)c1ccc(cn1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −0.8 ± 0.2 0.6 ± 0.1
6174 LON-WEI-4d77710c-60 molecule CC1CCN(CC1)CCCNC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C −0.7 ± 0.7 0.5 ± 0.5
6175 EN300-51889_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCC(=O)N5CCC(CC5)O −0.7 ± 0.2 0.5 ± 0.2
6176 EN300-90225_1_1 molecule C[N@@]1NC(NN1)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −0.5 ± 0.3 0.4 ± 0.2
6177 ALP-UNI-0676e700-6 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccc(cn5)c6n[nH]nn6 −0.2 ± 0.3 0.2 ± 0.2
6178 MAT-POS-2492181e-9 molecule CC1CCN(CC1)Cc2ccc(cc2)NC(=O)Nc3cn(c(=O)c4c3cccc4)CC(C)C 0.1 ± 0.7 −0.1 ± 0.5
6179 MAT-POS-2492181e-8 molecule CC1CCN(CC1)c2ccc(cc2)NC(=O)Nc3cn(c(=O)c4c3cccc4)CC(C)C 0.3 ± 0.7 −0.2 ± 0.5
6180 EDJ-MED-4c7486ba-4 molecule CN(C)CC(=O)NC[C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 0.8 ± 0.2 −0.6 ± 0.2
6181 EDJ-MED-4c7486ba-11 molecule c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cn[nH]c5S(=O)(=O)N 1.0 ± 0.2 −0.7 ± 0.2
6182 ALP-UNI-0676e700-17 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccc(nc5)c6n[nH]nn6 2.1 ± 0.3 −1.5 ± 0.2
6183 EN300-1653482_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCN6C(C5)NNN6 3.6 ± 0.8 −2.6 ± 0.6
6184 EN300-1726073_2_1 molecule Cn1c(cnn1)C(C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)(F)F 5.9 ± 0.3 −4.3 ± 0.2
6185 EN300-77343_1_1 molecule CC1NNN[N@]1CCNC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 14.2 ± 0.5 −10.3 ± 0.3
Last updated 2021-02-17T18:02:40.003401+00:00
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