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P56373 | P2RX3_HUMAN | P2X purinoceptor 3 (P2RX3)

3D structures mapped by conservation among orthologs

[ Domain: "P2X purinoceptor" // P2X_receptor ]

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[ Domain: pdbs with more than 2 multi-domains ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL3910178 OBDepict O HN O N O N N H Cl O N F IC50 = 0.8 nM 549.99 O=C(Nc1cnc(Nc2ccc(Oc3cncc(F)c3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C1CCOCC1 Homo sapiens CHEMBL3887700 assay format
CHEMBL3917952 OBDepict O HN O N O N N H Cl O N CH 3 IC50 = 1.0 nM 546.03 Cc1ccc(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)cn1 Homo sapiens CHEMBL3887700 assay format
CHEMBL3684651 OBDepict CH 3 O N O N N N H CH 3 CH 3 H 3 C S IC50 = 2.0 nM 444.56 COc1ccccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccsc2)nc1 Homo sapiens CHEMBL3705123 single protein format
CHEMBL3679937 OBDepict H 3 C N CH 3 O N O N N CH 3 CH 3 H S IC50 = 2.0 nM 470.6 CC(C)c1[nH]nc2c1C(c1ccccc1C(=O)N(C)C)N(c1ccc(-c3ccsc3)cc1)C2=O Homo sapiens CHEMBL3705123 single protein format
CHEMBL3891765 OBDepict H 3 C O O N O N H N N O NH O Cl O IC50 = 2.0 nM 590.04 COC(=O)c1cncc(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)c1 Homo sapiens CHEMBL3887700 assay format
CHEMBL3977217 OBDepict O N H O N O N N H Cl O N O H IC50 = 2.0 nM 548.0 O=C(Nc1cnc(Nc2ccc(Oc3cc[nH]c(=O)c3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C1CCOCC1 Homo sapiens CHEMBL3887700 assay format
CHEMBL3985879 OBDepict Cl N N HN O HN O HO CH 3 CH 3 O N CH 3 IC50 = 2.0 nM 519.99 Cc1ccc(Oc2ccc(Nc3ncc(NC(=O)C(C)(C)O)c(=O)n3Cc3ccc(Cl)cc3)cc2)cn1 Homo sapiens CHEMBL3887700 assay format
CHEMBL3679936 OBDepict H 3 C NH O N O N N CH 3 H 3 C H S IC50 = 2.0 nM 456.57 CNC(=O)c1ccccc1C1c2c(n[nH]c2C(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1 Homo sapiens CHEMBL3705123 single protein format
CHEMBL3679935 OBDepict HO N H O N O N N CH 3 CH 3 H S IC50 = 2.0 nM 486.6 CC(C)c1[nH]nc2c1C(c1ccccc1C(=O)NCCO)N(c1ccc(-c3ccsc3)cc1)C2=O Homo sapiens CHEMBL3705123 single protein format
CHEMBL3679934 OBDepict NH 2 O N O N N CH 3 H 3 C H S IC50 = 2.0 nM 442.54 CC(C)c1[nH]nc2c1C(c1ccccc1C(N)=O)N(c1ccc(-c3ccsc3)cc1)C2=O Homo sapiens CHEMBL3705123 single protein format
CHEMBL3910668 OBDepict O HN O N O N N H Cl O O HO IC50 = 2.0 nM 575.02 O=C(O)c1cccc(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)c1 Homo sapiens CHEMBL3887700 assay format
CHEMBL3901780 OBDepict Cl N N HN O HN O S HO CH 3 CH 3 N CH 3 IC50 = 3.0 nM 483.98 Cc1nc2ccc(Nc3ncc(NC(=O)C(C)(C)O)c(=O)n3Cc3ccc(Cl)cc3)cc2s1 Homo sapiens CHEMBL3887700 assay format
CHEMBL3684586 OBDepict O N N N H O CH 3 CH 3 CH 3 S N N N H N IC50 = 3.0 nM 511.61 CC(C)(C)c1[nH]nc2c1C(c1ccccc1OCc1nnn[nH]1)N(c1ccc(-c3ccsc3)cc1)C2=O Homo sapiens CHEMBL3705123 single protein format
CHEMBL3684587 OBDepict O N N N H O CH 3 CH 3 S N N N H N IC50 = 3.0 nM 497.58 CC(C)c1[nH]nc2c1C(c1ccccc1OCc1nnn[nH]1)N(c1ccc(-c3ccsc3)cc1)C2=O Homo sapiens CHEMBL3705123 single protein format
CHEMBL3979986 OBDepict H 3 C O O O N H N N O NH O Cl O IC50 = 3.0 nM 589.05 COC(=O)c1cccc(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)c1 Homo sapiens CHEMBL3887700 assay format
CHEMBL3684621 OBDepict OH H 3 C H 3 C N H N N O O H 3 C S IC50 = 3.0 nM 459.57 COc1ccccc1C1c2c(n[nH]c2C(C)(C)CO)C(=O)N1c1ccc(-c2ccsc2)cc1 Homo sapiens CHEMBL3705123 single protein format
CHEMBL3944921 OBDepict CH 3 S N N H N N O HN O Cl O IC50 = 3.0 nM 524.05 CCc1nc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2s1 Homo sapiens CHEMBL3887700 assay format
CHEMBL3679947 OBDepict HO O N O N N H CH 3 CH 3 H 3 C S IC50 = 3.0 nM 473.6 CC(C)(C)c1[nH]nc2c1C(c1ccccc1OCCO)N(c1ccc(-c3ccsc3)cc1)C2=O Homo sapiens CHEMBL3705123 single protein format
CHEMBL3915726 OBDepict O HN O N O N N H Cl O N F CH 3 IC50 = 3.0 nM 564.02 Cc1ncc(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)cc1F Homo sapiens CHEMBL3887700 assay format
CHEMBL4109692 OBDepict CH 3 O O H 3 C H N O N O N H N Cl Cl O CH 3 CH 3 IC50 = 3.0 nM 521.4 COC(=O)[C@H](C)Cn1c(=O)[nH]/c(=Nc2ccc(OC(C)C)c(Cl)c2)n(Cc2ccc(Cl)cc2)c1=O Homo sapiens CHEMBL3887318 assay format
CHEMBL3684652 OBDepict CH 3 O N O N N N H CH 3 CH 3 H 3 C S IC50 = 3.0 nM 444.56 COc1ccccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2cccs2)nc1 Homo sapiens CHEMBL3705123 single protein format
CHEMBL4109234 OBDepict CH 3 O O H 3 C H N O N O N H N F Cl O CH 3 CH 3 IC50 = 3.0 nM 504.95 COC(=O)[C@H](C)Cn1c(=O)[nH]/c(=Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O Homo sapiens CHEMBL3887318 assay format
CHEMBL3904878 OBDepict CH 3 N O O N N H Cl O N O HO IC50 = 3.0 nM 492.92 CCn1c(=O)cc(Nc2ccc(Oc3ccnc(C(=O)O)c3)cc2)n(Cc2ccc(Cl)cc2)c1=O Homo sapiens CHEMBL3887700 assay format
CHEMBL3969451 OBDepict H 3 C O O N O N O N H N Cl Cl O H 3 C CH 3 IC50 = 4.0 nM 547.44 CCOC(=O)C1(Cn2c(=O)[nH]/c(=Nc3ccc(OC(C)C)c(Cl)c3)n(Cc3ccc(Cl)cc3)c2=O)CC1 Homo sapiens CHEMBL3887318 assay format
CHEMBL3679863 OBDepict HO O N O N N H CH 3 CH 3 H 3 C S IC50 = 4.0 nM 473.6 CC(C)(C)c1[nH]nc2c1C(c1ccccc1OCCO)N(c1ccc(-c3cccs3)cc1)C2=O Homo sapiens CHEMBL3705123 single protein format
CHEMBL3679873 OBDepict OH O O N O N N H H 3 C CH 3 H 3 C S IC50 = 4.0 nM 487.58 CC(C)(C)c1[nH]nc2c1C(c1ccccc1OCC(=O)O)N(c1ccc(-c3cccs3)cc1)C2=O Homo sapiens CHEMBL3705123 single protein format
CHEMBL3684581 OBDepict NH 2 O O N O N N H H 3 C CH 3 H 3 C S IC50 = 4.0 nM 486.6 CC(C)(C)c1[nH]nc2c1C(c1ccccc1OCC(N)=O)N(c1ccc(-c3ccsc3)cc1)C2=O Homo sapiens CHEMBL3705123 single protein format
CHEMBL3967864 OBDepict H 3 C O O N O N O N H N CH 3 H 3 C O CH 3 H 3 C IC50 = 4.0 nM 494.59 CCOC(=O)CCCn1c(=O)[nH]/c(=Nc2ccc(OC(C)C)c(C)c2)n(Cc2ccc(C)cc2)c1=O Homo sapiens CHEMBL3887318 assay format
CHEMBL3908446 OBDepict CH 3 O O CH 3 CH 3 N O N O N H N H 3 C Cl O CH 3 H 3 C IC50 = 4.0 nM 515.01 COC(=O)C(C)(C)Cn1c(=O)[nH]/c(=Nc2ccc(OC(C)C)c(C)c2)n(Cc2ccc(Cl)cc2)c1=O Homo sapiens CHEMBL3887318 assay format
CHEMBL3684553 OBDepict N O N O N N H 3 C CH 3 H S IC50 = 4.0 nM 454.56 CC(C)c1[nH]nc2c1C(c1ccccc1OCC#N)N(c1ccc(-c3ccsc3)cc1)C2=O Homo sapiens CHEMBL3705123 single protein format
CHEMBL3684555 OBDepict CH 3 O O N O N N H CH 3 H 3 C OH S IC50 = 4.0 nM 503.62 COCCOc1ccccc1C1c2c(n[nH]c2C(C)(C)CO)C(=O)N1c1ccc(-c2ccsc2)cc1 Homo sapiens CHEMBL3705123 single protein format
CHEMBL3679874 OBDepict OH O O N O N N H H 3 C CH 3 H 3 C S IC50 = 4.0 nM 487.58 CC(C)(C)c1[nH]nc2c1C(c1ccccc1OCC(=O)O)N(c1ccc(-c3ccsc3)cc1)C2=O Homo sapiens CHEMBL3705123 single protein format
CHEMBL3917090 OBDepict O N H O N O N N H Cl O N F Cl IC50 = 4.0 nM 584.44 O=C(Nc1cnc(Nc2ccc(Oc3cnc(Cl)c(F)c3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C1CCOCC1 Homo sapiens CHEMBL3887700 assay format
CHEMBL3983550 OBDepict O HN O N O N N H Cl O N O HO IC50 = 4.0 nM 576.01 O=C(O)c1cncc(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)c1 Homo sapiens CHEMBL3887700 assay format
CHEMBL3924376 OBDepict CH 3 O H 3 C N N N H O N O CH 3 CH 3 O O H 3 C Cl IC50 = 4.0 nM 500.98 CCOc1ccc(/N=c2[nH]c(=O)n(CC(C)(C)C(=O)OC)c(=O)n2Cc2ccc(Cl)cc2)cc1C Homo sapiens CHEMBL3887318 assay format
CHEMBL3679932 OBDepict O N N N H HN CH 3 CH 3 S O O CH 3 S IC50 = 4.0 nM 492.63 CC(C)c1[nH]nc2c1C(c1ccccc1NS(C)(=O)=O)N(c1ccc(-c3ccsc3)cc1)C2=O Homo sapiens CHEMBL3705123 single protein format
CHEMBL3684585 OBDepict N O N O N N H H 3 C H 3 C CH 3 S IC50 = 4.0 nM 468.58 CC(C)(C)c1[nH]nc2c1C(c1ccccc1OCC#N)N(c1ccc(-c3ccsc3)cc1)C2=O Homo sapiens CHEMBL3705123 single protein format
CHEMBL3669822 OBDepict N O N O O O CH 3 H 3 C S IC50 = 4.0 nM 458.54 CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1ccccc1OCC#N Homo sapiens CHEMBL3705123 single protein format
CHEMBL3679752 OBDepict O CH 3 H 3 C O N O N O O CH 3 IC50 = 4.0 nM 486.57 Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3N3CCOCC3)cc2)o1 Homo sapiens CHEMBL3705123 single protein format
CHEMBL3889935 OBDepict O N H O N O N NH S Cl N H 3 C IC50 = 4.0 nM 510.02 Cc1nc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2s1 Homo sapiens CHEMBL3887700 assay format
CHEMBL3969973 OBDepict CH 3 O CH 3 F NH N N O HN O OH CH 3 H 3 C Cl IC50 = 4.0 nM 488.95 CC(C)Oc1ccc(Nc2ncc(NC(=O)C(C)(C)O)c(=O)n2Cc2ccc(Cl)cc2)cc1F Homo sapiens CHEMBL3887700 assay format
CHEMBL3954750 OBDepict CH 3 O O H 3 C H N O N O N H N Cl Cl O CH 3 CH 3 IC50 = 4.0 nM 521.4 COC(=O)[C@@H](C)Cn1c(=O)[nH]/c(=Nc2ccc(OC(C)C)c(Cl)c2)n(Cc2ccc(Cl)cc2)c1=O Homo sapiens CHEMBL3887318 assay format
CHEMBL3971893 OBDepict CH 3 O H 3 C F N H N N O N H O Cl O IC50 = 4.0 nM 514.99 CC(C)Oc1ccc(Nc2ncc(NC(=O)C3CCOCC3)c(=O)n2Cc2ccc(Cl)cc2)cc1F Homo sapiens CHEMBL3887700 assay format
CHEMBL3674945 OBDepict CH 3 CH 3 O O N O N O S IC50 = 5.0 nM 502.64 CC(C)CC(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1ccccc1N1CCOCC1 Homo sapiens CHEMBL3705123 single protein format
CHEMBL3679890 OBDepict HO O N N O N N H CH 3 CH 3 H 3 C S IC50 = 5.0 nM 474.59 CC(C)(C)c1[nH]nc2c1C(c1cccnc1OCCO)N(c1ccc(-c3ccsc3)cc1)C2=O Homo sapiens CHEMBL3705123 single protein format
CHEMBL3674748 OBDepict OH NH HN O N O O O CH 3 H 3 C S IC50 = 5.0 nM 491.57 CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1ccccc1OCC(=N)NO Homo sapiens CHEMBL3705123 single protein format
CHEMBL3952438 OBDepict H 3 C O O N O N O N H N Cl H 3 C O CH 3 H 3 C IC50 = 5.0 nM 515.01 CCOC(=O)CCCn1c(=O)[nH]/c(=Nc2ccc(OC(C)C)c(Cl)c2)n(Cc2ccc(C)cc2)c1=O Homo sapiens CHEMBL3887318 assay format
CHEMBL3669820 OBDepict N O N O O O CH 3 H 3 C CH 3 S IC50 = 5.0 nM 472.57 CC(C)(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1ccccc1OCC#N Homo sapiens CHEMBL3705123 single protein format
CHEMBL3684579 OBDepict CH 3 HN O O N O N N H H 3 C H 3 C CH 3 S IC50 = 5.0 nM 500.62 CNC(=O)COc1ccccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1 Homo sapiens CHEMBL3705123 single protein format
CHEMBL3679902 OBDepict H 2 N NH O O N O N N CH 3 CH 3 H S IC50 = 5.0 nM 487.59 CC(C)c1[nH]nc2c1C(c1ccccc1OCC(=O)NN)N(c1ccc(-c3ccsc3)cc1)C2=O Homo sapiens CHEMBL3705123 single protein format
CHEMBL3919611 OBDepict NH 2 O HN O N O N O N H N Cl Cl O H 3 C CH 3 IC50 = 5.0 nM 535.39 CC(C)Oc1ccc(/N=c2[nH]c(=O)n(CC(=O)NCC(N)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl Homo sapiens CHEMBL3887318 assay format
CHEMBL3916125 OBDepict CH 3 O O H 3 C H N O N O N H N F Cl O CH 3 CH 3 IC50 = 5.0 nM 504.95 COC(=O)[C@@H](C)Cn1c(=O)[nH]/c(=Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O Homo sapiens CHEMBL3887318 assay format
CHEMBL4111628 OBDepict CH 3 O O N CH 3 H O N O N H N Cl Cl O H 3 C CH 3 IC50 = 5.0 nM 521.4 COC(=O)C[C@@H](C)n1c(=O)[nH]/c(=Nc2ccc(OC(C)C)c(Cl)c2)n(Cc2ccc(Cl)cc2)c1=O Homo sapiens CHEMBL3887318 assay format
CHEMBL4456466 OBDepict CH 3 O HN O CH 3 N O N O O CH 3 CH 3 IC50 = 5.0 nM 473.53 COc1ccc(OC)c(CCn2cnc3ccc(-c4ccc(NC(C)=O)cc4OC)cc3c2=O)c1 Homo sapiens CHEMBL4427215 cell-based format
CHEMBL4110329 OBDepict CH 3 O O H 3 C H N O N O N H N Cl O H 3 C IC50 = 5.0 nM 482.92 COC(=O)[C@H](C)Cn1c(=O)[nH]/c(=Nc2ccc3oc(C)cc3c2)n(Cc2ccc(Cl)cc2)c1=O Homo sapiens CHEMBL3887318 assay format
CHEMBL3684622 OBDepict OH H 3 C H 3 C N H N N O O H 3 C S IC50 = 5.0 nM 459.57 COc1ccccc1C1c2c(n[nH]c2C(C)(C)CO)C(=O)N1c1ccc(-c2cccs2)cc1 Homo sapiens CHEMBL3705123 single protein format
CHEMBL3971710 OBDepict Cl N NH N O N O F O O O H 3 C CH 3 IC50 = 5.0 nM 547.03 CC(C)Oc1ccc(Nc2nc(=O)n(CCCOC3CCCCO3)c(=O)n2Cc2ccc(Cl)cc2)cc1F Homo sapiens CHEMBL3887318 assay format
CHEMBL3679812 OBDepict H 3 C CH 3 O N O O O O O S IC50 = 5.0 nM 505.59 CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1ccccc1OCC1OCCO1 Homo sapiens CHEMBL3705123 single protein format
CHEMBL3684635 OBDepict OH O HO N O N N CH 3 H 3 C H S IC50 = 5.0 nM 489.6 CC(C)c1[nH]nc2c1C(c1ccccc1OC(CO)CO)N(c1ccc(-c3ccsc3)cc1)C2=O Homo sapiens CHEMBL3705123 single protein format
CHEMBL3949649 OBDepict CH 3 O H 3 C Cl NH N O N O O O Cl H 3 C H 3 C IC50 = 5.0 nM 548.47 CC(C)Oc1ccc(Nc2cc(=O)n(CC3COC(C)(C)OC3)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl Homo sapiens CHEMBL3887700 assay format
CHEMBL3924964 OBDepict H 3 C O O N O N O N H N F Cl O H 3 C CH 3 IC50 = 6.0 nM 530.98 CCOC(=O)C1(Cn2c(=O)[nH]/c(=Nc3ccc(OC(C)C)c(F)c3)n(Cc3ccc(Cl)cc3)c2=O)CC1 Homo sapiens CHEMBL3887318 assay format
CHEMBL3674946 OBDepict O H 3 C CH 3 O N O N O S IC50 = 6.0 nM 488.61 CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1ccccc1N1CCOCC1 Homo sapiens CHEMBL3705123 single protein format
CHEMBL3674958 OBDepict OH O OH N O O O CH 3 H 3 C S IC50 = 6.0 nM 507.61 CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1ccccc1OCC(CO)CO Homo sapiens CHEMBL3705123 single protein format
CHEMBL3679755 OBDepict H 3 C O O N O O O CH 3 H 3 C S IC50 = 6.0 nM 491.61 COCCCOc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 Homo sapiens CHEMBL3705123 single protein format
CHEMBL3684644 OBDepict O N N N H O CH 3 CH 3 S S O O CH 3 IC50 = 6.0 nM 521.66 CC(C)c1[nH]nc2c1C(c1ccccc1OCCS(C)(=O)=O)N(c1ccc(-c3ccsc3)cc1)C2=O Homo sapiens CHEMBL3705123 single protein format
CHEMBL3960770 OBDepict CH 3 O H 3 C Cl N H N N O N H O Cl O IC50 = 6.0 nM 531.44 CC(C)Oc1ccc(Nc2ncc(NC(=O)C3CCOCC3)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl Homo sapiens CHEMBL3887700 assay format
CHEMBL3913868 OBDepict CH 3 N O O N N H Cl O N O HO IC50 = 6.0 nM 492.92 CCn1c(=O)cc(Nc2ccc(Oc3cncc(C(=O)O)c3)cc2)n(Cc2ccc(Cl)cc2)c1=O Homo sapiens CHEMBL3887700 assay format
CHEMBL4464155 OBDepict H 3 C O O N CH 3 N O H 3 C N NH O CH 3 IC50 = 6.0 nM 458.52 COc1ccc(OC)c(CCn2cnc3ccc(-c4ccc(NC(C)=O)nc4C)cc3c2=O)c1 Homo sapiens CHEMBL4427215 cell-based format
CHEMBL3674905 OBDepict CH 3 O O N H N O O O H 3 C CH 3 S IC50 = 6.0 nM 478.57 COCCOc1ncccc1[C@@H]1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 Homo sapiens CHEMBL3705123 single protein format
CHEMBL3674897 OBDepict CH 3 O O N O O O H 3 C H 3 C O CH 3 IC50 = 6.0 nM 475.54 COCOc1ccccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 Homo sapiens CHEMBL3705123 single protein format
CHEMBL3945438 OBDepict OH N H O N O N O N H N Cl Cl O CH 3 H 3 C IC50 = 6.0 nM 522.39 CC(C)Oc1ccc(/N=c2[nH]c(=O)n(CC(=O)NCCO)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl Homo sapiens CHEMBL3887318 assay format
CHEMBL3913269 OBDepict OH N OH O O N HN Cl Cl O H 3 C CH 3 IC50 = 6.0 nM 508.4 CC(C)Oc1ccc(Nc2cc(=O)n(CC(CO)CO)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl Homo sapiens CHEMBL3887700 assay format
CHEMBL3674750 OBDepict CH 3 O O H N O O O H 3 C CH 3 S IC50 = 6.0 nM 477.58 COCCOc1ccccc1[C@@H]1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 Homo sapiens CHEMBL3705123 single protein format
CHEMBL3985829 OBDepict CH 3 O H 3 C Cl N H N O N O CH 3 CH 3 O OH Cl IC50 = 6.0 nM 520.41 CC(C)Oc1ccc(Nc2cc(=O)n(CC(C)(C)C(=O)O)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl Homo sapiens CHEMBL3887700 assay format
CHEMBL3930309 OBDepict N N H O N O N O N H N Cl Cl O CH 3 CH 3 IC50 = 6.0 nM 517.37 CC(C)Oc1ccc(/N=c2[nH]c(=O)n(CC(=O)NCC#N)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl Homo sapiens CHEMBL3887318 assay format
CHEMBL3960994 OBDepict CH 3 O O H 3 C H N O N O N H N F CH 3 O CH 3 CH 3 IC50 = 6.0 nM 484.53 COC(=O)[C@@H](C)Cn1c(=O)[nH]/c(=Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(C)cc2)c1=O Homo sapiens CHEMBL3887318 assay format
CHEMBL3986030 OBDepict Cl N NH N O N O O F O O H 3 C CH 3 IC50 = 6.0 nM 533.0 CC(C)Oc1ccc(Nc2nc(=O)n(CCOC3CCCCO3)c(=O)n2Cc2ccc(Cl)cc2)cc1F Homo sapiens CHEMBL3887318 assay format
CHEMBL3679883 OBDepict CH 3 O O N N O N N H CH 3 H 3 C CH 3 S IC50 = 6.0 nM 488.61 COCCOc1ncccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1 Homo sapiens CHEMBL3705123 single protein format
CHEMBL3669849 OBDepict CH 3 O O N O O O CH 3 H 3 C S IC50 = 6.0 nM 463.56 COCOc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 Homo sapiens CHEMBL3705123 single protein format
CHEMBL3679886 OBDepict CH 3 O O N N O N N H CH 3 H 3 C CH 3 S IC50 = 6.0 nM 488.61 COCCOc1ncccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2cccs2)cc1 Homo sapiens CHEMBL3705123 single protein format
CHEMBL494161 OBDepict OH HN OH N N NH 2 O I CH 3 H 3 C O CH 3 IC50 = 6.3 nM 474.3 COc1cc(C(C)C)c(Oc2cnc(NC(CO)CO)nc2N)cc1I Homo sapiens CHEMBL4737205 cell-based format
CHEMBL3967323 OBDepict CH 3 O CH 3 Cl N N N H O N O CH 3 CH 3 O OH Cl IC50 = 7.0 nM 521.4 CC(C)Oc1ccc(/N=c2[nH]c(=O)n(CC(C)(C)C(=O)O)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl Homo sapiens CHEMBL3887318 assay format
CHEMBL3674967 OBDepict H 3 C O O H N O O O CH 3 H 3 C S CH 3 IC50 = 7.0 nM 491.61 COCCOc1ccccc1[C@@H]1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 Homo sapiens CHEMBL3705123 single protein format
CHEMBL3639686 OBDepict CH 3 O O N O O O H 3 C CH 3 S IC50 = 7.0 nM 477.58 COCCOc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 Homo sapiens CHEMBL3705123 single protein format
CHEMBL3940500 OBDepict OH N OH O N O N HN Cl Cl O H 3 C CH 3 IC50 = 7.0 nM 509.39 CC(C)Oc1ccc(Nc2nc(=O)n(CC(CO)CO)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl Homo sapiens CHEMBL3887318 assay format
CHEMBL3943717 OBDepict CH 3 O H 3 C Cl N N N H O N O CH 3 H O OH CH 3 IC50 = 7.0 nM 486.96 Cc1ccc(Cn2c(=O)n(C[C@H](C)C(=O)O)c(=O)[nH]/c2=Nc2ccc(OC(C)C)c(Cl)c2)cc1 Homo sapiens CHEMBL3887318 assay format
CHEMBL3674878 OBDepict CH 3 O O F N O O O H 3 C CH 3 S IC50 = 7.0 nM 495.57 COCCOc1cc(F)ccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 Homo sapiens CHEMBL3705123 single protein format
CHEMBL3684578 OBDepict H 3 C N CH 3 O O N O N N H H 3 C H 3 C CH 3 S IC50 = 7.0 nM 514.65 CN(C)C(=O)COc1ccccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1 Homo sapiens CHEMBL3705123 single protein format
CHEMBL3898831 OBDepict H 3 C O Cl N N N H O N O H 3 C H O OH Cl IC50 = 7.0 nM 493.35 CCOc1ccc(/N=c2[nH]c(=O)n(C[C@H](C)C(=O)O)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl Homo sapiens CHEMBL3887318 assay format
CHEMBL3674896 OBDepict CH 3 O O N O O O CH 3 CH 3 O H 3 C IC50 = 7.0 nM 489.57 COCCOc1ccccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 Homo sapiens CHEMBL3705123 single protein format
CHEMBL3684662 OBDepict OH H 3 C N OH H N N O O H 3 C S IC50 = 7.0 nM 475.57 COc1ccccc1C1c2c(n[nH]c2C(C)(CO)CO)C(=O)N1c1ccc(-c2ccsc2)cc1 Homo sapiens CHEMBL3705123 single protein format
CHEMBL4521422 OBDepict H 3 C O O N CH 3 N O H 3 C N NH 2 IC50 = 7.0 nM 416.48 COc1ccc(OC)c(CCn2cnc3ccc(-c4ccc(N)nc4C)cc3c2=O)c1 Homo sapiens CHEMBL4427215 cell-based format
CHEMBL4110237 OBDepict CH 3 O O N CH 3 H O N O N H N F Cl O H 3 C CH 3 IC50 = 7.0 nM 504.95 COC(=O)C[C@@H](C)n1c(=O)[nH]/c(=Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O Homo sapiens CHEMBL3887318 assay format
CHEMBL3674906 OBDepict H 3 C O H 3 C N O O O CH 3 H 3 C O CH 3 IC50 = 7.0 nM 459.54 Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3OC(C)C)cc2)o1 Homo sapiens CHEMBL3705123 single protein format
CHEMBL3951022 OBDepict CH 3 HN N H O N O N NH F Cl O CH 3 CH 3 IC50 = 7.0 nM 473.94 CCNC(=O)Nc1cnc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O Homo sapiens CHEMBL3887700 assay format
CHEMBL3684583 OBDepict O N N N H O CH 3 CH 3 CH 3 S HN S O O CH 3 IC50 = 7.0 nM 550.71 CC(C)(C)c1[nH]nc2c1C(c1ccccc1OCCNS(C)(=O)=O)N(c1ccc(-c3ccsc3)cc1)C2=O Homo sapiens CHEMBL3705123 single protein format
CHEMBL3674933 OBDepict OH O N O O O H 3 C CH 3 S IC50 = 7.0 nM 477.58 CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1ccccc1OCCCO Homo sapiens CHEMBL3705123 single protein format
CHEMBL3674895 OBDepict CH 3 O N O O O H 3 C H 3 C O CH 3 IC50 = 7.0 nM 459.54 COCc1ccccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 Homo sapiens CHEMBL3705123 single protein format
CHEMBL3679738 OBDepict H 3 C O O N H N O O O CH 3 H 3 C S CH 3 IC50 = 7.0 nM 492.6 COCCOc1ncccc1[C@@H]1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 Homo sapiens CHEMBL3705123 single protein format
CHEMBL3979713 OBDepict HO N O N O N HN F Cl O H 3 C CH 3 IC50 = 7.0 nM 488.95 CC(C)Oc1ccc(Nc2nc(=O)n(CC3(CO)CC3)c(=O)n2Cc2ccc(Cl)cc2)cc1F Homo sapiens CHEMBL3887318 assay format