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Q9UGN5 | PARP2_HUMAN | Poly [ADP-ribose] polymerase 2 (PARP2)

3D structures mapped by conservation among orthologs

[ Domain: "ADP-ribosylation" // PARP ]

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[ Domain: "WGR domain" // WGR ]

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[ Domain: "Domain of poly(ADP-ribose) polymerase" // PARP_reg ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL3984980 OBDepict O NH N N CH 3 H 3 C N IC50 = 0.2 nM 364.49 CC1(C)CC2=NNC(=O)c3cccc4c3c2c(n4CCN2CCCCC2)C1 Homo sapiens CHEMBL3887990 single protein format
CHEMBL3907010 OBDepict F N O N CH 3 N N N N H O F F F IC50 = 0.22 nM 486.43 CC1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(C(F)(F)F)n21 Homo sapiens CHEMBL3887958 single protein format
CHEMBL3922789 OBDepict O N N N N H H O IC50 = 0.3 nM 294.31 O=C1NN=C2CN(C(=O)C3CC3)Cc3[nH]c4cccc1c4c32 Homo sapiens CHEMBL3887990 single protein format
CHEMBL3933450 OBDepict F N H O N H N N O O IC50 = 0.3 nM 378.36 O=C1NN=C2CN(C(=O)OCc3ccccc3)Cc3[nH]c4cc(F)cc1c4c32 Homo sapiens CHEMBL3887990 single protein format
CHEMBL3926240 OBDepict CH 3 N CH 3 N CH 3 H 3 C N N H O IC50 = 0.3 nM 352.48 CCN(CC)CCn1c2c3c4c(cccc41)C(=O)NN=C3CC(C)(C)C2 Homo sapiens CHEMBL3887990 single protein format
CHEMBL3929889 OBDepict H 3 C N CH 3 N CH 3 H 3 C N F N H O IC50 = 0.3 nM 342.42 CN(C)CCn1c2c3c4c(cc(F)cc41)C(=O)NN=C3CC(C)(C)C2 Homo sapiens CHEMBL4678540 single protein format
CHEMBL3975917 OBDepict H 3 C N CH 3 N CH 3 H 3 C N N H O IC50 = 0.3 nM 324.43 CN(C)CCn1c2c3c4c(cccc41)C(=O)NN=C3CC(C)(C)C2 Homo sapiens CHEMBL4678540 single protein format
CHEMBL4107982 OBDepict H N H 3 C N N O N H IC50 = 0.4 nM 280.33 C[C@]12CCCN1CC1=NNC(=O)c3cccc4[nH]c2c1c34 Homo sapiens CHEMBL3887990 single protein format
CHEMBL3955609 OBDepict O N O N N N H H O IC50 = 0.5 nM 360.37 O=C1NN=C2CN(C(=O)OCc3ccccc3)Cc3[nH]c4cccc1c4c32 Homo sapiens CHEMBL3887990 single protein format
CHEMBL4112930 OBDepict F N H O N H N H 3 C N IC50 = 0.5 nM 298.32 C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34 Homo sapiens CHEMBL3887990 single protein format
CHEMBL3901232 OBDepict O N O CH 3 H 3 C CH 3 N H N N H O IC50 = 0.5 nM 340.38 CC(C)(C)OC(=O)N1CCC2=C(C1)Nc1cccc3c(=O)[nH]nc2c13 Homo sapiens CHEMBL3888363 single protein format
CHEMBL3972156 OBDepict H N H 3 C H 3 C N O N H IC50 = 0.6 nM 253.31 CC1(C)CC2=NNC(=O)c3cccc4[nH]c(c2c34)C1 Homo sapiens CHEMBL3887990 single protein format
CHEMBL3955370 OBDepict H N N O N H CH 3 CH 3 IC50 = 0.7 nM 267.33 CC1(C)CCC2=C(C1)c1n[nH]c(=O)c3cccc(c13)N2 Homo sapiens CHEMBL3888363 single protein format
CHEMBL3925115 OBDepict H 3 C H 3 C N N N H H O F IC50 = 0.7 nM 285.32 CC(C)C1CC2=NNC(=O)c3cc(F)cc4[nH]c(c2c34)C1 Homo sapiens CHEMBL4678540 single protein format
CHEMBL3962648 OBDepict F N H O N H N IC50 = 0.7 nM 257.27 O=C1NN=C2CCCCc3[nH]c4cc(F)cc1c4c32 Homo sapiens CHEMBL4678540 single protein format
CHEMBL3914932 OBDepict F N H O N H N H 3 C H 3 C IC50 = 0.7 nM 271.3 CC1(C)CCc2[nH]c3cc(F)cc4c3c2C1=NNC4=O Homo sapiens CHEMBL3887990 single protein format
CHEMBL3901034 OBDepict H N H 3 C H 3 C N F O N H IC50 = 0.7 nM 271.3 CC1(C)CC2=NNC(=O)c3c(F)ccc4[nH]c(c2c34)C1 Homo sapiens CHEMBL3887990 single protein format
CHEMBL4529965 OBDepict O N H N N H O O O NH 2 O H 2 N IC50 = 0.7 nM 495.5 NC(=O)c1cccc2c1O/C(=Cc1ccc(C(=O)NCCc3nc4c(C(N)=O)cccc4[nH]3)cc1)C2=O Homo sapiens CHEMBL4305044 cell-based format
CHEMBL3939501 OBDepict H N N O N H IC50 = 0.73 nM 267.33 O=c1[nH]nc2c3c(cccc13)NC1=C2CCCCCC1 Homo sapiens CHEMBL3888363 single protein format
CHEMBL3952089 OBDepict O N H N N H IC50 = 0.77 nM 239.28 O=c1[nH]nc2c3c(cccc13)NC1=C2CCCC1 Homo sapiens CHEMBL3888363 single protein format
CHEMBL3907535 OBDepict H 3 C N H 3 C N N N H H O IC50 = 0.8 nM 268.32 CC(C)N1CC2=NNC(=O)c3cccc4[nH]c(c2c34)C1 Homo sapiens CHEMBL3887990 single protein format
CHEMBL3929705 OBDepict F N H O N H N IC50 = 0.8 nM 243.24 O=C1NN=C2CCCc3[nH]c4cc(F)cc1c4c32 Homo sapiens CHEMBL3887990 single protein format
CHEMBL3137320 OBDepict F H NH H N N N N H 3 C N F H O Ki = 0.85 nM 380.36 Cn1ncnc1[C@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@@H]1c1ccc(F)cc1 Homo sapiens CHEMBL3767924 single protein format
CHEMBL3961684 OBDepict F N H O N H N O H 3 C H 3 C IC50 = 0.9 nM 285.28 CC1(C)CC2=NNC(=O)c3cc(F)cc4[nH]c(c2c34)C1=O Homo sapiens CHEMBL3887990 single protein format
CHEMBL3893294 OBDepict H N N O N H IC50 = 0.9 nM 253.31 O=c1[nH]nc2c3c(cccc13)NC1=C2CCCCC1 Homo sapiens CHEMBL3888363 single protein format
CHEMBL1090136 OBDepict NH 2 O N N H HN Ki = 1.0 nM 320.4 NC(=O)c1cccc2[nH]c(-c3ccc(C4CCNCC4)cc3)nc12 Homo sapiens CHEMBL1110690 single protein format
CHEMBL4067999 OBDepict O N H H N F N N O N H O IC50 = 1.0 nM 451.5 O=C(Nc1cc(Cn2c(=O)[nH]c(=O)c3ccccc32)cnc1F)[C@H]1CCN(CCC2CC2)C1 Homo sapiens CHEMBL4055846 assay format
CHEMBL3970252 OBDepict H N N N O N H O NH 2 H 3 C H 3 C IC50 = 1.0 nM 311.35 CC(C)(N)C(=O)N1CC2=NNC(=O)c3cccc4[nH]c(c2c34)C1 Homo sapiens CHEMBL3887990 single protein format
CHEMBL3644587 OBDepict O N H N HN N N IC50 = 1.0 nM 317.35 O=c1[nH]nc2c3c(cccc13)N=C(CN1Cc3ccccc3C1)N2 Homo sapiens CHEMBL4271463 single protein format
CHEMBL521686 OBDepict O N N O F N N H O IC50 = 1.0 nM 434.47 O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1 Homo sapiens CHEMBL982812 single protein format
CHEMBL595018 OBDepict O N NH N O IC50 = 1.0 nM 307.35 O=C1NCC2c3c(cccc31)CCN2C(=O)Cc1cccnc1 Homo sapiens CHEMBL1074654 single protein format
CHEMBL609002 OBDepict O N N H N N O IC50 = 1.0 nM 322.37 O=C1NCC2c3c(cccc31)CCN2C(=O)CCc1cnccn1 Homo sapiens CHEMBL1074654 single protein format
CHEMBL577549 OBDepict NH 2 O N N H N Ki = 1.0 nM 314.35 NC(=O)c1cccc2[nH]c(-c3ccc(-c4ccncc4)cc3)nc12 Homo sapiens CHEMBL1110690 single protein format
CHEMBL3740104 OBDepict N N N N O N N H O IC50 = 1.0 nM 450.5 N#Cc1cccnc1N1CCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)CC1 Homo sapiens CHEMBL3743826 cell-based format
CHEMBL3969742 OBDepict H N N O N H IC50 = 1.1 nM 239.28 O=C1NN=C2CCCCc3[nH]c4cccc1c4c32 Homo sapiens CHEMBL3887990 single protein format
CHEMBL3907218 OBDepict H 3 C H 3 C N N N H H O IC50 = 1.1 nM 267.33 CC(C)C1CC2=NNC(=O)c3cccc4[nH]c(c2c34)C1 Homo sapiens CHEMBL3887990 single protein format
CHEMBL4871210 OBDepict H 2 N N N N N N S N O N O O O NH 2 IC50 = 1.19 nM 599.68 NC(=O)c1cccc2cc(C(=O)N3CCN(Cc4cc5nc(-c6cnc(N)nc6)nc(N6CCOCC6)c5s4)CC3)oc12 Homo sapiens CHEMBL4817105 single protein format
CHEMBL3978225 OBDepict O N H N N H HN IC50 = 1.2 nM 240.27 O=c1[nH]nc2c3c(cccc13)NC1=C2CCNC1 Homo sapiens CHEMBL3888363 single protein format
CHEMBL3910080 OBDepict H 3 C N N N H H O F IC50 = 1.3 nM 257.27 CC1CC2=NNC(=O)c3cc(F)cc4[nH]c(c2c34)C1 Homo sapiens CHEMBL4678540 single protein format
CHEMBL3978989 OBDepict H N N N O N H O H 3 C H 3 C CH 3 IC50 = 1.3 nM 310.36 CC(C)(C)C(=O)N1CC2=NNC(=O)c3cccc4[nH]c(c2c34)C1 Homo sapiens CHEMBL3887990 single protein format
CHEMBL4868231 OBDepict H 2 N N N N N N O N O N O O O NH 2 IC50 = 1.34 nM 583.61 NC(=O)c1cccc2cc(C(=O)N3CCN(Cc4cc5nc(-c6cnc(N)nc6)nc(N6CCOCC6)c5o4)CC3)oc12 Homo sapiens CHEMBL4817105 single protein format
CHEMBL3939375 OBDepict O N H N N H N IC50 = 1.5 nM 330.39 O=c1[nH]nc2c3c(cccc13)NC1=C2CCN(Cc2ccccc2)C1 Homo sapiens CHEMBL3888363 single protein format
CHEMBL1090467 OBDepict F N N H NH H O NH 2 Ki = 1.5 nM 324.36 NC(=O)c1cccc2[nH]c(-c3ccc([C@@H]4CCCN4)cc3F)nc12 Homo sapiens CHEMBL1110690 single protein format
CHEMBL4518901 OBDepict CH 3 O N N O N N O H O NH 2 IC50 = 1.6 nM 363.33 COc1cc(-c2nn[nH]n2)ccc1/C=C1Oc2c(C(N)=O)cccc2C1=O Homo sapiens CHEMBL4305044 cell-based format
CHEMBL3892363 OBDepict H N N O N H IC50 = 1.6 nM 301.35 O=C1NN=C2CC(c3ccccc3)Cc3[nH]c4cccc1c4c32 Homo sapiens CHEMBL3887990 single protein format
CHEMBL3915929 OBDepict H 3 C N N N H H O IC50 = 1.7 nM 239.28 CC1CC2=NNC(=O)c3cccc4[nH]c(c2c34)C1 Homo sapiens CHEMBL3887990 single protein format
CHEMBL3900548 OBDepict F N H O N H N IC50 = 1.8 nM 319.34 O=C1NN=C2CC(c3ccccc3)Cc3[nH]c4cc(F)cc1c4c32 Homo sapiens CHEMBL4678540 single protein format
CHEMBL4575227 OBDepict O N N N N O O O NH 2 IC50 = 1.9 nM 455.47 NC(=O)c1cccc2c1O/C(=Cc1ccc(C(=O)N3CCn4c(nnc4C4CC4)C3)cc1)C2=O Homo sapiens CHEMBL4305044 cell-based format
CHEMBL4584534 OBDepict H 3 C N H O F O NH 2 IC50 = 1.9 nM 298.32 CNCc1ccc(-c2cc3cc(F)cc(C(N)=O)c3o2)cc1 Homo sapiens CHEMBL4481011 single protein format
CHEMBL3891329 OBDepict H N N O N H IC50 = 1.9 nM 225.25 O=C1NN=C2CCCc3[nH]c4cccc1c4c32 Homo sapiens CHEMBL3887990 single protein format
CHEMBL4519178 OBDepict O N N N N F F F O O O H 2 N IC50 = 2.0 nM 483.41 NC(=O)c1cccc2c1O/C(=Cc1ccc(C(=O)N3CCn4c(nnc4C(F)(F)F)C3)cc1)C2=O Homo sapiens CHEMBL4305044 cell-based format
CHEMBL576423 OBDepict NH 2 O N N H N Ki = 2.0 nM 314.35 NC(=O)c1cccc2[nH]c(-c3ccc(-c4ccccn4)cc3)nc12 Homo sapiens CHEMBL1110690 single protein format
CHEMBL497608 OBDepict H 2 N O N N H CH 3 HN Ki = 2.0 nM 244.3 C[C@@]1(c2nc3cccc(C(N)=O)c3[nH]2)CCCN1 Homo sapiens CHEMBL1010816 single protein format
CHEMBL526668 OBDepict H 2 N O N N H CH 3 N H Ki = 2.0 nM 244.3 CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCNC1 Homo sapiens CHEMBL1010816 single protein format
CHEMBL495942 OBDepict H 2 N O N N H CH 3 NH Ki = 2.0 nM 258.32 CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCNCC1 Homo sapiens CHEMBL1010816 single protein format
CHEMBL452801 OBDepict H 3 C N H 3 C N N H O H 2 N Ki = 2.0 nM 286.38 CC(C)N1CCC(c2nc3c(C(N)=O)cccc3[nH]2)CC1 Homo sapiens CHEMBL992764 single protein format
CHEMBL1093844 OBDepict H 2 N O N N H N H Ki = 2.0 nM 306.37 NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCN4)cc3)nc12 Homo sapiens CHEMBL1110690 single protein format
CHEMBL1094636 OBDepict H 2 N O N N H N H IC50 = 2.1 nM 320.4 NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12 Homo sapiens CHEMBL1115413 single protein format
CHEMBL4454914 OBDepict H N N N N O O O H 2 N IC50 = 2.1 nM 333.31 NC(=O)c1cccc2c1O/C(=Cc1ccc(-c3nn[nH]n3)cc1)C2=O Homo sapiens CHEMBL4305044 cell-based format
CHEMBL4078014 OBDepict OH NH O N N O F N N H O IC50 = 2.53 nM 541.58 O=C(/C=C/c1ccc(CN2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)cc1)NO Homo sapiens CHEMBL4055670 cell-based format
CHEMBL4083291 OBDepict O N H H N F N N F F F O N H O IC50 = 2.9 nM 479.43 O=C(Nc1cc(Cn2c(=O)[nH]c(=O)c3ccccc32)cnc1F)[C@H]1CCN(CCC(F)(F)F)C1 Homo sapiens CHEMBL4055846 assay format
CHEMBL1092691 OBDepict NH 2 O N N H HN Ki = 3.0 nM 320.4 NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCNC4)cc3)nc12 Homo sapiens CHEMBL1110690 single protein format
CHEMBL1093900 OBDepict NH 2 O N N H N H Ki = 3.0 nM 320.4 NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCCN4)cc3)nc12 Homo sapiens CHEMBL1110690 single protein format
CHEMBL460267 OBDepict O N H H N N H O NH 2 Ki = 3.0 nM 244.25 NC(=O)c1cccc2[nH]c([C@@H]3CCC(=O)N3)nc12 Homo sapiens CHEMBL992764 single protein format
CHEMBL1093309 OBDepict F N N N H H O NH 2 Ki = 3.0 nM 324.36 NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCN4)cc3F)nc12 Homo sapiens CHEMBL1110690 single protein format
CHEMBL4446105 OBDepict O N N N N F F O O O NH 2 IC50 = 3.0 nM 465.42 NC(=O)c1cccc2c1O/C(=Cc1ccc(C(=O)N3CCn4c(nnc4C(F)F)C3)cc1)C2=O Homo sapiens CHEMBL4305044 cell-based format
CHEMBL4586938 OBDepict CH 3 N N N N N N O O O O H 2 N IC50 = 3.3 nM 495.5 Cn1cnc(-c2nnc3n2CCN(C(=O)c2ccc(/C=C4Oc5c(C(N)=O)cccc5C4=O)cc2)C3)c1 Homo sapiens CHEMBL4305044 cell-based format
CHEMBL4450747 OBDepict O N N N N O O O H 2 N IC50 = 3.5 nM 469.5 NC(=O)c1cccc2c1O/C(=Cc1ccc(C(=O)N3CCn4c(CC5CC5)nnc4C3)cc1)C2=O Homo sapiens CHEMBL4305044 cell-based format
CHEMBL4061458 OBDepict O N H H N F N N O N H O IC50 = 3.6 nM 437.48 O=C(Nc1cc(Cn2c(=O)[nH]c(=O)c3ccccc32)cnc1F)[C@H]1CCN(CC2CC2)C1 Homo sapiens CHEMBL4055846 assay format
CHEMBL4539194 OBDepict H 3 C O O N N N N O O O O NH 2 IC50 = 3.7 nM 487.47 CCOC(=O)c1nnc2n1CCN(C(=O)c1ccc(/C=C3Oc4c(C(N)=O)cccc4C3=O)cc1)C2 Homo sapiens CHEMBL4305044 cell-based format
CHEMBL4469675 OBDepict O N N N N O O O NH 2 IC50 = 3.9 nM 483.53 NC(=O)c1cccc2c1O/C(=Cc1ccc(C(=O)N3CCn4c(nnc4C4CCCC4)C3)cc1)C2=O Homo sapiens CHEMBL4305044 cell-based format
CHEMBL1094636 OBDepict H 2 N O N N H N H Ki = 4.0 nM 320.4 NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12 Homo sapiens CHEMBL4481031 single protein format
CHEMBL495743 OBDepict F N O H 2 N N H CH 3 HN Ki = 4.0 nM 262.29 C[C@]1(c2nc3c(C(N)=O)cc(F)cc3[nH]2)CCCN1 Homo sapiens CHEMBL1010816 single protein format
CHEMBL1089125 OBDepict F N N H NH H O NH 2 Ki = 4.0 nM 338.39 NC(=O)c1cccc2nc(-c3ccc([C@@H]4CCCCN4)cc3F)[nH]c12 Homo sapiens CHEMBL1110690 single protein format
CHEMBL4474593 OBDepict O N N N N O H O O NH 2 IC50 = 4.0 nM 493.52 NC(=O)c1cccc2c1O/C(=Cc1ccc(C(=O)N3CCN(c4nc5ccccc5[nH]4)CC3)cc1)C2=O Homo sapiens CHEMBL4305044 cell-based format
CHEMBL4100719 OBDepict F N NH O N H N O N H O IC50 = 4.1 nM 459.48 O=C(Nc1cc(Cn2c(=O)[nH]c(=O)c3ccccc32)cnc1F)[C@H]1CCN(c2ccccc2)C1 Homo sapiens CHEMBL4055846 assay format
CHEMBL3764816 OBDepict F H NH H N N N N H 3 C N F H O IC50 = 4.1 nM 380.36 Cn1ncnc1[C@@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@H]1c1ccc(F)cc1 Homo sapiens CHEMBL3995360 assay format
CHEMBL4072243 OBDepict O N H H N F N O N O N H O IC50 = 4.5 nM 451.46 O=C(Nc1cc(Cn2c(=O)[nH]c(=O)c3ccccc32)cnc1F)[C@H]1CCN(C(=O)C2CC2)C1 Homo sapiens CHEMBL4055846 assay format
CHEMBL4435102 OBDepict O N N N N H 3 C H 3 C O O O H 2 N IC50 = 4.6 nM 457.49 CC(C)c1nnc2n1CCN(C(=O)c1ccc(/C=C3Oc4c(C(N)=O)cccc4C3=O)cc1)C2 Homo sapiens CHEMBL4305044 cell-based format
CHEMBL506871 OBDepict H 2 N O N N H CH 3 HN Ki = 5.0 nM 244.3 C[C@]1(c2nc3cccc(C(N)=O)c3[nH]2)CCCN1 Homo sapiens CHEMBL1010816 single protein format
CHEMBL452800 OBDepict H 3 C N N N H O NH 2 Ki = 5.0 nM 286.38 CCCN1CCC(c2nc3cccc(C(N)=O)c3[nH]2)CC1 Homo sapiens CHEMBL992764 single protein format
CHEMBL4446923 OBDepict CH 3 N N H N H O O O O NH 2 IC50 = 5.0 nM 466.5 Cc1ccc2[nH]c(CCNC(=O)c3ccc(/C=C4Oc5c(C(N)=O)cccc5C4=O)cc3)nc2c1 Homo sapiens CHEMBL4305044 cell-based format
CHEMBL4096060 OBDepict OH NH O N H O F N N H O IC50 = 5.02 nM 486.5 O=C(/C=C/c1ccc(CCNC(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)cc1)NO Homo sapiens CHEMBL4055670 cell-based format
CHEMBL4093008 OBDepict F N HN O N H N O N H O IC50 = 5.4 nM 473.51 O=C(Nc1cc(Cn2c(=O)[nH]c(=O)c3ccccc32)cnc1F)[C@H]1CCN(Cc2ccccc2)C1 Homo sapiens CHEMBL4055846 assay format
CHEMBL4522170 OBDepict O N H N N N N NH IC50 = 5.5 nM 348.41 O=C1NCCn2c(-c3ccc(N4CCNCC4)cc3)nc3cncc1c32 Homo sapiens CHEMBL4432791 single protein format
CHEMBL4082728 OBDepict O N H H N F N N N O N H O IC50 = 5.8 nM 474.5 O=C(Nc1cc(Cn2c(=O)[nH]c(=O)c3ccccc32)cnc1F)[C@H]1CCN(Cc2ccncc2)C1 Homo sapiens CHEMBL4055846 assay format
CHEMBL4458889 OBDepict H 3 C NH N N N N H O IC50 = 7.2 nM 307.36 CNCc1ccc(-c2nc3cncc4c3n2CCNC4=O)cc1 Homo sapiens CHEMBL4432791 single protein format
CHEMBL4435879 OBDepict CH 3 H 3 C N N N N N H O IC50 = 7.7 nM 327.43 CC(C)CN1CCC(c2nc3cncc4c3n2CCNC4=O)CC1 Homo sapiens CHEMBL4432791 single protein format
CHEMBL571285 OBDepict NH 2 O N N H N Ki = 8.0 nM 314.35 NC(=O)c1cccc2[nH]c(-c3ccc(-c4cccnc4)cc3)nc12 Homo sapiens CHEMBL1110690 single protein format
CHEMBL481603 OBDepict N N N O H 2 N IC50 = 8.0 nM 274.28 N#Cc1ccc(-c2cnc3cccc(C(N)=O)c3n2)cc1 Homo sapiens CHEMBL1176209 single protein format
CHEMBL4092324 OBDepict O N H H N F N O O N H 3 C CH 3 H 3 C O N H O IC50 = 8.6 nM 483.5 CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)cnc2F)C1 Homo sapiens CHEMBL4055846 assay format
CHEMBL4082114 OBDepict O N H H N Cl O O N H 3 C CH 3 H 3 C O N H O IC50 = 9.1 nM 498.97 CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2Cl)C1 Homo sapiens CHEMBL4055846 assay format
CHEMBL4460350 OBDepict CH 3 N H N N N N H O IC50 = 9.9 nM 321.38 CCNCc1ccc(-c2nc3cncc4c3n2CCNC4=O)cc1 Homo sapiens CHEMBL4432791 single protein format
CHEMBL1090483 OBDepict CH 3 N N N H O NH 2 Ki = 10.0 nM 334.42 CN1CCCC(c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)C1 Homo sapiens CHEMBL1110690 single protein format
CHEMBL4571844 OBDepict O N N N N CH 3 O O O NH 2 IC50 < 10.0 nM 429.44 Cc1nnc2n1CCN(C(=O)c1ccc(/C=C3Oc4c(C(N)=O)cccc4C3=O)cc1)C2 Homo sapiens CHEMBL4305044 cell-based format
CHEMBL4458607 OBDepict F N N N N O O O O NH 2 IC50 < 10.0 nM 523.52 NC(=O)c1cccc2c1O/C(=Cc1ccc(C(=O)N3CCn4c(Cc5cccc(F)c5)nnc4C3)cc1)C2=O Homo sapiens CHEMBL4305044 cell-based format
CHEMBL4515830 OBDepict O N H N N H O O O H 2 N IC50 = 10.0 nM 452.47 NC(=O)c1cccc2c1O/C(=Cc1ccc(C(=O)NCCc3nc4ccccc4[nH]3)cc1)C2=O Homo sapiens CHEMBL4305044 cell-based format
CHEMBL4470212 OBDepict OH N N N N O O O O H 2 N IC50 < 10.0 nM 445.44 NC(=O)c1cccc2c1O/C(=Cc1ccc(C(=O)N3CCn4c(CO)nnc4C3)cc1)C2=O Homo sapiens CHEMBL4305044 cell-based format
CHEMBL1090582 OBDepict CH 3 N N N H O NH 2 Ki = 11.0 nM 320.4 CN1CCC(c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)C1 Homo sapiens CHEMBL1110690 single protein format
CHEMBL527654 OBDepict NH 2 O N N H N H Ki = 11.0 nM 216.24 NC(=O)c1cccc2[nH]c(C3CNC3)nc12 Homo sapiens CHEMBL1010816 single protein format