Compounds

Showing 6001 through 6100 of 6426
Rank Compound SMILES ΔG / kcal M-1 pIC50
6001 LON-WEI-5e7d1b3e-5 molecule Cn1cc(c2ccccc2c1=O)NC(=O)Nc3ccc(c(c3)OC)OC −4.9 ± 0.4 3.6 ± 0.3
6002 LON-WEI-5e7d1b3e-30 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)Nc3nc4ccccc4s3 −4.9 ± 0.5 3.6 ± 0.3
6003 EN300-6473108_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cc6cccnn6n5 −4.9 ± 0.2 3.6 ± 0.1
6004 EN300-1725538_2_1 molecule Cn1cc(nc1)C[C@@H](C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −4.9 ± 0.2 3.5 ± 0.2
6005 MAT-POS-b5746674-106 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)N(CCCOC)C(C)c3ccncc3 −4.8 ± 0.5 3.5 ± 0.3
6006 JOH-UNI-50ce7ec3-4 molecule c1ccc2c(c1)c(cnc2C(F)F)N(C(=O)Cc3cccc(c3)Cl)S(=O)(=O)F −4.8 ± 0.6 3.5 ± 0.4
6007 ALP-UNI-0676e700-21 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccc(cc5)OCC(=O)N −4.8 ± 0.2 3.5 ± 0.2
6008 LON-WEI-5e7d1b3e-33 molecule CC1c2cc(c(cc2CCN1C(=O)Nc3cn(c(=O)c4c3cccc4)C)OC)OC −4.8 ± 0.4 3.5 ± 0.3
6009 EN300-27341_3_2 molecule CS(=O)(=O)[N@@]1CCC[C@H](C1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −4.8 ± 0.3 3.5 ± 0.2
6010 MAT-POS-af71705c-2 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NC3=NN(CC3)c4ccccc4 −4.8 ± 0.6 3.5 ± 0.5
6011 LON-WEI-5e7d1b3e-23 molecule Cn1cc(c2ccccc2c1=O)NC(=O)Nc3cccc(c3)C(F)(F)F −4.8 ± 0.4 3.5 ± 0.3
6012 LON-WEI-5e7d1b3e-35 molecule Cc1ccc(cc1)CN2CCC(C2)CNC(=O)Nc3cn(c(=O)c4c3cccc4)CC(C)C −4.8 ± 0.6 3.5 ± 0.4
6013 LON-WEI-4d77710c-29 molecule CCOC(=O)Cc1csc(n1)NC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C −4.8 ± 0.7 3.5 ± 0.5
6014 LON-WEI-5e7d1b3e-38 molecule CCCCN(CCCNC(=O)Nc1cn(c(=O)c2c1cccc2)CC(C)C)c3ccccc3 −4.8 ± 0.6 3.5 ± 0.4
6015 LAU-MED-88a3970a-10 molecule CS(=O)(=O)CCc1cc(cc2c1OCC[C@@H]2C(=O)Nc3cncc4c3cccc4)Cl −4.8 ± 0.4 3.5 ± 0.3
6016 VLA-UNK-f702bf1c-7 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CCN6CCNCC6 −4.8 ± 0.4 3.5 ± 0.3
6017 LAU-MED-88a3970a-16 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4CCS(=O)(=O)N)Cl −4.8 ± 0.4 3.5 ± 0.3
6018 EN300-301416_3_1 molecule CS(=O)(=O)N1CCC(CC1)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −4.8 ± 0.3 3.5 ± 0.2
6019 EN300-7543132_2_1 molecule C[NH+](C)CCn1cc(nn1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −4.8 ± 0.2 3.5 ± 0.2
6020 ALP-POS-5bb456a5-6 molecule c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(CC5)c6n[nH]nn6 −4.7 ± 0.5 3.5 ± 0.3
6021 EN300-2989643_2_1 molecule Cn1c(cc(n1)OC)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −4.7 ± 0.2 3.5 ± 0.2
6022 MAK-UNK-c749d764-33 molecule CS(=O)(=O)N(c1cncc2c1cccc2)C(=O)CC3CCCC(C3O)C(F)F −4.7 ± 0.2 3.4 ± 0.2
6023 EN300-151268_1_2 molecule C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)[N@H+]5[N@H+](S5(=O)=O)C(C)C −4.7 ± 0.6 3.4 ± 0.4
6024 JAG-UCB-706446eb-3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)O −4.7 ± 0.2 3.4 ± 0.2
6025 EN300-42591_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CNC(=O)NC5CC5 −4.7 ± 0.2 3.4 ± 0.1
6026 MAK-UNK-f481d203-4 molecule c1ccc(cc1)[C@@H](C(=O)Nc2cncc3c2cccc3)N −4.7 ± 0.4 3.4 ± 0.3
6027 DAR-DIA-5ff57136-1_1 molecule C[C@@H]1COc2ccc(cc2[C@@H]1C(=O)N(c3cncc4c3cccc4)C(=O)C=C)Cl −4.7 ± 0.7 3.4 ± 0.5
6028 LON-WEI-5e7d1b3e-6 molecule CC(=O)c1cccc(c1)NC(=O)Nc2cn(c(=O)c3c2cccc3)C −4.7 ± 0.4 3.4 ± 0.3
6029 LON-WEI-4d77710c-53 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)N3CCCN(C3)Cc4ccccc4F −4.7 ± 0.4 3.4 ± 0.3
6030 EDG-MED-971238d3-9 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)O −4.7 ± 0.2 3.4 ± 0.2
6031 MAT-POS-b5746674-101 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)N3CCC(C3)c4ccccc4 −4.7 ± 0.4 3.4 ± 0.3
6032 EN300-83529_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5nc6ncccn6n5 −4.6 ± 0.2 3.4 ± 0.1
6033 LON-WEI-4d77710c-6 molecule CC(=O)c1cccc(c1)NC(=O)Nc2cn(c(=O)c3c2cccc3)C −4.6 ± 0.3 3.4 ± 0.2
6034 MAT-POS-1f3f1a6f-5 molecule c1ccc2c(c1)cncc2N3C(=O)C(NC3=O)c4ccc(c(c4)Cl)Cl −4.6 ± 0.2 3.4 ± 0.1
6035 EN300-249093_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@H]5CC(=O)N −4.6 ± 0.3 3.4 ± 0.2
6036 RAL-THA-8416115c-7 molecule c1ccc2c(c1)cncc2NC(=O)C3CCN(c4c3cc(cc4)Cl)CC(=O)O −4.6 ± 0.3 3.4 ± 0.2
6037 LON-WEI-5e7d1b3e-47 molecule CCc1ccccc1N(CC)C(=O)Nc2cn(c(=O)c3c2cccc3)C −4.6 ± 0.3 3.4 ± 0.3
6038 MIC-UNK-cdc2493e-13 molecule c1ccc2c(c1)cncc2NC(=O)N(c3cccc(c3)Cl)C4CCC(CC4)N5CCCCC5 −4.6 ± 0.6 3.4 ± 0.4
6039 MAK-UNK-c749d764-18 molecule CC(C)SCN(c1cncc2c1cccc2)C(=O)CC3CCCC(C3O)C(F)F −4.6 ± 0.2 3.3 ± 0.2
6040 MAT-POS-2bb0cf2b-1 molecule c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CN −4.6 ± 0.4 3.3 ± 0.3
6041 LON-WEI-5e7d1b3e-12 molecule CCOC(=O)c1ccc(cc1)NC(=O)Nc2cn(c(=O)c3c2cccc3)C −4.6 ± 0.4 3.3 ± 0.3
6042 EN300-188356_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@]5(CCOC5)F −4.6 ± 0.2 3.3 ± 0.1
6043 LON-WEI-5e7d1b3e-21 molecule Cc1cccnc1NC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C −4.6 ± 0.5 3.3 ± 0.4
6044 LON-WEI-5e7d1b3e-45 molecule Cn1cc(c2ccccc2c1=O)NC(=O)N3CCN(CC3)C(=O)c4ccco4 −4.5 ± 0.5 3.3 ± 0.3
6045 LON-WEI-4d77710c-45 molecule Cn1cc(c2ccccc2c1=O)NC(=O)N3CCN(CC3)C(=O)c4ccco4 −4.5 ± 0.6 3.3 ± 0.4
6046 MAT-POS-b5746674-105 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NC3CCN(CC3)Cc4ccccc4 −4.5 ± 0.8 3.3 ± 0.6
6047 MAT-POS-2492181e-3 molecule CCCN(CCC)CCNC(=O)Nc1cn(c(=O)c2c1cccc2)C −4.5 ± 0.5 3.3 ± 0.4
6048 EN300-10334_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@]56CCC(=O)N5CCS6 −4.5 ± 0.2 3.3 ± 0.1
6049 JOH-UNI-50ce7ec3-3 molecule C=CS(=O)(=O)N(c1cnc(c2c1cccc2)C(F)F)C(=O)Cc3cccc(c3)Cl −4.5 ± 0.5 3.3 ± 0.4
6050 EN300-702735_1_1 molecule c1ccc(cc1)C2NNN[N@]2CC(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −4.5 ± 0.9 3.3 ± 0.7
6051 JOH-UNI-50ce7ec3-2 molecule c1ccc2c(c1)cncc2N(C(=O)Cc3cccc(c3)Cl)S(=O)(=O)F −4.4 ± 0.4 3.2 ± 0.3
6052 EN300-399606_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5C=C6[C@H](CCC[N@@]6N5)O −4.4 ± 0.1 3.2 ± 0.1
6053 MAT-POS-b5746674-98 molecule Cn1cc(c2ccccc2c1=O)NC(=O)NCCCN3CCc4ccccc4C3 −4.4 ± 0.6 3.2 ± 0.4
6054 LON-WEI-4d77710c-47 molecule CCc1ccccc1N(CC)C(=O)Nc2cn(c(=O)c3c2cccc3)C −4.4 ± 0.4 3.2 ± 0.3
6055 EN300-18928_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CSCN5C(=O)C6CC6 −4.4 ± 0.2 3.2 ± 0.1
6056 LON-WEI-4d77710c-43 molecule Cc1cc(c(cc1Cl)OC)NC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C −4.4 ± 0.4 3.2 ± 0.3
6057 LON-WEI-4d77710c-22 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)Nc3cccnc3 −4.4 ± 0.6 3.2 ± 0.4
6058 EN300-1270299_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccc(cn5)CO −4.4 ± 0.2 3.2 ± 0.2
6059 LON-WEI-5e7d1b3e-20 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCCc3c[nH]c4c3cccc4 −4.4 ± 0.6 3.2 ± 0.4
6060 EN300-36096_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CN5CCCNC5=O −4.4 ± 0.2 3.2 ± 0.1
6061 LON-WEI-4d77710c-7 molecule Cn1cc(c2ccccc2c1=O)NC(=O)NCCCN3CCc4ccccc4C3 −4.4 ± 0.5 3.2 ± 0.4
6062 LON-WEI-5e7d1b3e-9 molecule Cc1cc(no1)NC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C −4.3 ± 0.5 3.2 ± 0.4
6063 JOH-UNI-a38a7bdd-2 molecule c1ccc2c(c1)cncc2N(CC(F)(F)F)C(=O)Cc3cccc(c3)Cl −4.3 ± 0.4 3.1 ± 0.3
6064 LON-WEI-5e7d1b3e-34 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)N3CCC(C3)c4ccccc4 −4.3 ± 0.5 3.1 ± 0.3
6065 EN300-52382_2_1 molecule CN(C)C(=O)Cn1cc(nn1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −4.3 ± 0.2 3.1 ± 0.2
6066 MAT-POS-b5746674-42 molecule CCc1ccccc1N(CC)C(=O)Nc2cn(c(=O)c3c2cccc3)C −4.2 ± 0.4 3.1 ± 0.3
6067 LON-WEI-5e7d1b3e-15 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCCCN3CCCC3=O −4.2 ± 0.5 3.1 ± 0.4
6068 EN300-205680_2_1 molecule C[NH+](C)CC1(CC1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −4.2 ± 0.2 3.1 ± 0.2
6069 ALP-UNI-0676e700-20 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccc(cn5)n6cnnn6 −4.2 ± 0.2 3.1 ± 0.2
6070 EN300-73102_2_2 molecule C[C@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C5CCOCC5 −4.2 ± 0.3 3.1 ± 0.2
6071 ALP-UNI-44c99a80-1 molecule c1ccc2c(c1)cncc2N(Cc3cnc[nH]3)C(=O)Cc4cccc(c4)Cl −4.2 ± 0.4 3.1 ± 0.3
6072 MAT-POS-b5746674-107 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)N3CCC(CC3)Cc4ccccc4 −4.2 ± 0.6 3.1 ± 0.4
6073 EDG-MED-90036822-4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H](CN)F −4.2 ± 0.6 3.1 ± 0.4
6074 VLA-UCB-1dbca3b4-17 molecule c1ccc2c(c1)cncc2N3C(=O)C(NC3=O)c4cccc(c4)Cl −4.2 ± 0.2 3.0 ± 0.2
6075 EN300-36495_2_1 molecule CCOC(=O)NCCC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −4.2 ± 0.2 3.0 ± 0.1
6076 ALP-UNI-0676e700-8 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CNC(=O)c5cccc(c5)O −4.1 ± 0.2 3.0 ± 0.2
6077 LON-WEI-5e7d1b3e-7 molecule Cn1cc(c2ccccc2c1=O)NC(=O)NCCCN3CCc4ccccc4C3 −4.1 ± 0.6 3.0 ± 0.4
6078 EN300-259694_4_1 molecule CCO[C@@]1(CCOC1)C(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −4.1 ± 0.6 3.0 ± 0.4
6079 EN300-39501_2_1 molecule COCCS(=O)(=O)CC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −4.1 ± 0.3 3.0 ± 0.2
6080 MAT-POS-af71705c-1 molecule Cn1cc(c2ccccc2c1=O)NC(=O)Nc3ccccn3 −4.1 ± 0.4 3.0 ± 0.3
6081 EN300-13890_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CS[C@H]5CCS(=O)(=O)C5 −4.1 ± 0.2 3.0 ± 0.1
6082 LON-WEI-5e7d1b3e-13 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCC3CCCO3 −4.0 ± 0.4 2.9 ± 0.3
6083 LON-WEI-5e7d1b3e-43 molecule Cc1cc(c(cc1Cl)OC)NC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C −4.0 ± 0.6 2.9 ± 0.4
6084 EN300-246178_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cnn(c5)C[C@@H](CO)O −4.0 ± 0.3 2.9 ± 0.2
6085 RAL-THA-065e0743-1 molecule CNC(=O)Cn1cc(ccc1=O)CC(=O)Nc2cncc3c2cccc3 −4.0 ± 0.4 2.9 ± 0.3
6086 MAT-POS-2492181e-2 molecule Cn1cc(c2ccccc2c1=O)NC(=O)NCCN3CCCC3 −4.0 ± 0.6 2.9 ± 0.4
6087 LON-WEI-4d77710c-46 molecule CCOC(=O)N1CCC(CC1)NC(=O)Nc2cn(c(=O)c3c2cccc3)C −4.0 ± 0.5 2.9 ± 0.4
6088 EN300-1072199_3_2 molecule CO[C@]1(CCCOC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −3.9 ± 0.2 2.9 ± 0.2
6089 MAT-POS-b5746674-109 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCCN3CCOCC3 −3.9 ± 0.7 2.8 ± 0.5
6090 LON-WEI-5e7d1b3e-16 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCCN3CCOCC3 −3.9 ± 0.7 2.8 ± 0.5
6091 MAK-UNK-c749d764-21 molecule CCCCN(c1cncc2c1cccc2)C(=O)CC3CCCC(C3O)C(F)F −3.9 ± 0.3 2.8 ± 0.3
6092 EN300-107740_1_1 molecule CC1NNN(N1)CCNC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −3.8 ± 0.4 2.8 ± 0.3
6093 EN300-368758_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cn(nn5)C[C@H]6CCCO6 −3.8 ± 0.2 2.8 ± 0.2
6094 LON-WEI-5e7d1b3e-46 molecule CCOC(=O)N1CCC(CC1)NC(=O)Nc2cn(c(=O)c3c2cccc3)C −3.8 ± 0.4 2.8 ± 0.3
6095 EN300-7439284_4_1 molecule COc1cn[nH]c1C(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −3.8 ± 0.4 2.8 ± 0.3
6096 PET-UNK-4dc48bbe-8 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@H](NC3=O)c4ccc(cc4)Cl −3.7 ± 0.2 2.7 ± 0.2
6097 LON-WEI-4d77710c-37 molecule CCN(CC)S(=O)(=O)c1ccc(cc1)NC(=O)Nc2cn(c(=O)c3c2cccc3)C −3.7 ± 0.5 2.7 ± 0.3
6098 LAU-MED-88a3970a-12 molecule CNCCCc1cc(cc2c1OCC[C@@H]2C(=O)Nc3cncc4c3cccc4)Cl −3.7 ± 0.5 2.7 ± 0.4
6099 EN300-36851_2_3 molecule C[C@@H]1C[C@H]1C(=O)NCCC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −3.7 ± 0.2 2.7 ± 0.2
6100 MAT-POS-b5746674-36 molecule Cn1cc(c2ccccc2c1=O)NC(=O)N3CCN(CC3)C(=O)c4ccco4 −3.7 ± 0.4 2.7 ± 0.3
Last updated 2021-02-17T18:02:40.003401+00:00
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