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P03952 | KLKB1_HUMAN | Plasma kallikrein (KLKB1)

3D structures mapped by conservation among orthologs

[ Domain: "FMN-binding split barrel 2" // Trypsin_1 ]

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[ Domain: "Hairpin loop containing domain-like" // PAN_1 ]

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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
CHEMBL3969639 OBDepict H 2 N N CH 3 CH 3 N H O N N N O IC50 = 0.0224 nM 442.52 Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(Cn3ccccc3=O)cc2)c1 Homo sapiens CHEMBL3888103 cell-free format
CHEMBL3897372 OBDepict NH 2 N H 3 C CH 3 N H O N N N N N H 3 C H 3 C IC50 = 0.03 nM 444.54 Cc1cc(C)n(Cc2ccc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)nn3)cc2)n1 Homo sapiens CHEMBL3888103 cell-free format
CHEMBL3982813 OBDepict NH 2 N H 3 C CH 3 N H O N N N N H 3 C IC50 = 0.04 nM 429.53 Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)cn3)cc2)c1 Homo sapiens CHEMBL3888103 cell-free format
CHEMBL3901955 OBDepict CH 3 O N N N N N H O H 3 C CH 3 N H 2 N IC50 = 0.0912 nM 445.53 COc1cc(Cn2cc(C(=O)NCc3c(C)cc(N)nc3C)cn2)ccc1Cn1cccn1 Homo sapiens CHEMBL3888103 cell-free format
CHEMBL3953631 OBDepict NH 2 N H 3 C H 3 C N H O N N N H 3 C H 3 C IC50 = 0.1 nM 402.5 Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3c(c2)cc(C)n3C)c1 Homo sapiens CHEMBL3888103 cell-free format
CHEMBL3912934 OBDepict NH 2 N CH 3 H 3 C NH O N N N N N H 3 C IC50 = 0.1 nM 430.52 Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc(Cn3nccc3C)cc2)nn1 Homo sapiens CHEMBL3888103 cell-free format
CHEMBL3893209 OBDepict NH 2 N H 3 C CH 3 N H O N N N N H 3 C H 3 C IC50 = 0.134 nM 443.56 Cc1cc(C)n(Cc2ccc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)cn3)cc2)n1 Homo sapiens CHEMBL3888103 cell-free format
CHEMBL3907471 OBDepict NH 2 N H 3 C H 3 C N H O N N N N IC50 = 0.2 nM 415.5 Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(Cn3cccn3)cc2)c1 Homo sapiens CHEMBL3888103 cell-free format
CHEMBL3958883 OBDepict NH 2 N CH 3 H 3 C NH O N N N N CH 3 H 3 C CH 3 IC50 = 0.2 nM 417.52 Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3c(c2)c(C)c(C)n3C)nn1 Homo sapiens CHEMBL3888103 cell-free format
CHEMBL3893365 OBDepict NH 2 N Cl H 3 C N H O N N N O IC50 = 0.2 nM 462.94 Cc1nc(N)cc(Cl)c1CNC(=O)c1cnn(Cc2ccc(Cn3ccccc3=O)cc2)c1 Homo sapiens CHEMBL3888103 cell-free format
CHEMBL3934425 OBDepict NH 2 N H 3 C CH 3 HN O N N N N IC50 = 0.2 nM 415.5 Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc(Cn3cccn3)cc2)cn1 Homo sapiens CHEMBL3888103 cell-free format
CHEMBL4297502 OBDepict H 3 C O H 2 C NH O N O OH HN O NH H 2 N Ki = 0.26 nM 513.55 C=Cc1cc(C(=O)Nc2ccc(C(=N)N)cc2)c(-c2ccc(C(=O)NCC3CC3)nc2C(=O)O)cc1OC Homo sapiens CHEMBL4844499 single protein format
CHEMBL4853430 OBDepict N CH 3 N N N N HN O H N N H 3 C IC50 = 0.3 nM 442.53 Cc1c(Cn2cnc(C(=O)N[C@@H]3CCc4c3ncn4C)c2)cnc(N2CC3CC3C2)c1C#N Homo sapiens CHEMBL4831476 single protein format
CHEMBL4875151 OBDepict N CH 3 N N N HN O H N N H 3 C IC50 = 0.3 nM 441.54 Cc1c(Cn2cnc(C(=O)N[C@@H]3CCc4c3ncn4C)c2)ccc(N2CC3CC3C2)c1C#N Homo sapiens CHEMBL4831476 single protein format
CHEMBL4867704 OBDepict N CH 3 N N N N NH O H N N H 3 C IC50 = 0.4 nM 442.53 Cc1c(Cn2cc(C(=O)N[C@@H]3CCc4c3ncn4C)cn2)cnc(N2CC3CC3C2)c1C#N Homo sapiens CHEMBL4831476 single protein format
CHEMBL4867424 OBDepict N CH 3 N N N NH O H N N H 3 C IC50 = 0.4 nM 441.54 Cc1c(Cn2cc(C(=O)N[C@@H]3CCc4c3ncn4C)cn2)ccc(N2CC3CC3C2)c1C#N Homo sapiens CHEMBL4831476 single protein format
CHEMBL4873547 OBDepict N N N N N H O H N N H 3 C IC50 = 0.4 nM 427.51 Cn1cnc2c1CC[C@H]2NC(=O)c1cn(Cc2ccc(N3CC4CC4C3)cc2C#N)cn1 Homo sapiens CHEMBL4831476 single protein format
CHEMBL4854358 OBDepict N N N N F F NH O H N N CH 3 IC50 = 0.4 nM 463.49 Cn1cnc2c1CC[C@H]2NC(=O)c1cn(Cc2ccc(N3CC4C(C3)C4(F)F)cc2C#N)cn1 Homo sapiens CHEMBL4831476 single protein format
CHEMBL3975557 OBDepict O O N H CH 3 CH 3 H 3 C N H 3 C H 3 C N H O N N N Cl IC50 = 0.4 nM 521.02 Cc1cc(NC(=O)OC(C)(C)C)nc(C)c1CNC(=O)c1cnn(Cc2ccc3ncc(Cl)cc3c2)c1 Homo sapiens CHEMBL3888103 cell-free format
CHEMBL4594271 OBDepict NH 2 N N HN O F F F F HN N Ki = 0.44 nM 562.57 N#Cc1cccc(C(NCC2CC2)c2ccc(F)c(NC(=O)c3cc(C(F)(F)F)nn3-c3cccc(CN)c3)c2)c1 Homo sapiens CHEMBL4844499 single protein format
CHEMBL4846807 OBDepict O HN N N H N N H CH 3 N F F N IC50 = 0.5 nM 453.5 Cc1[nH]nc2c1CC[C@H]2NC(=O)c1cn(Cc2ccc(N3CC4(CC4)C3)nc2C(F)F)cn1 Homo sapiens CHEMBL4834031 single protein format
CHEMBL4860010 OBDepict O HN N N N H N N H CH 3 N F F N IC50 = 0.5 nM 454.49 Cc1[nH]nc2c1CC[C@H]2NC(=O)c1cn(Cc2ccc(N3CC4(CC4)C3)nc2C(F)F)nn1 Homo sapiens CHEMBL4834031 single protein format
CHEMBL206454 OBDepict OH O O OH OH N N H O NH 2 NH H 2 N Ki = 0.5 nM 487.47 N=C(N)c1ccc2[nH]c(-c3cc(C(CC(=O)O)C(=O)O)cc(-c4cccc(C(N)=O)c4)c3O)nc2c1 Homo sapiens CHEMBL868878 single protein format
CHEMBL4858749 OBDepict F F N N N N F F NH O H N N H CH 3 IC50 = 0.6 nM 489.48 Cc1[nH]nc2c1CC[C@H]2NC(=O)c1cn(Cc2ccc(N3CC4C(C3)C4(F)F)nc2C(F)F)cn1 Homo sapiens CHEMBL4834031 single protein format
CHEMBL4863507 OBDepict O NH N N H N N H H 3 C N F F N IC50 = 0.7 nM 453.5 Cc1[nH]nc2c1CC[C@H]2NC(=O)c1cn(Cc2ccc(N3CC4CC4C3)nc2C(F)F)cn1 Homo sapiens CHEMBL4834031 single protein format
CHEMBL4846017 OBDepict O N H N N H N N H CH 3 N F F N IC50 = 0.8 nM 453.5 Cc1[nH]nc2c1CC[C@H]2NC(=O)c1cnn(Cc2ccc(N3CC4CC4C3)nc2C(F)F)c1 Homo sapiens CHEMBL4834031 single protein format
CHEMBL4877824 OBDepict F F N N N N F F NH O H N N H CH 3 IC50 = 0.8 nM 489.48 Cc1[nH]nc2c1CC[C@H]2NC(=O)c1cnn(Cc2ccc(N3CC4C(C3)C4(F)F)nc2C(F)F)c1 Homo sapiens CHEMBL4834031 single protein format
CHEMBL3916019 OBDepict NH 2 N H 3 C CH 3 N H O N N N N CH 3 IC50 = 0.92 nM 401.47 Cc1ccc2cc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)nn3)cnc2c1 Homo sapiens CHEMBL3888103 cell-free format
CHEMBL4128218 OBDepict CH 3 N N N N F F F N H O H N H 2 N IC50 = 1.0 nM 495.51 Cc1cnn(Cc2ccc(Cn3nc(C(=O)N[C@@H]4CCc5c4ccnc5N)cc3C(F)(F)F)cc2)c1 Homo sapiens CHEMBL4119779 single protein format
CHEMBL4109665 OBDepict O N H N F F Cl H CH 3 O HN N H O Ki = 1.0 nM 589.04 C[C@@H]1CCC[C@H](N2CCC(c3c(F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2cc3ccc(=O)[nH]c3cc2NC1=O Homo sapiens CHEMBL3888872 cell-free format
CHEMBL4108223 OBDepict H 3 C O HN O HN O H H 3 C N H N O F N Ki = 1.0 nM 567.62 COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(F)cccc3C#N)=CC1=O)c1cc-2ccn1 Homo sapiens CHEMBL3888872 cell-free format
CHEMBL4110103 OBDepict CH 3 O N H O NH O H CH 3 N H N O N F Cl Ki = 1.0 nM 578.04 COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3nccc(Cl)c3F)=CC1=O)c1cc-2ccn1 Homo sapiens CHEMBL3888872 cell-free format
CHEMBL4106988 OBDepict H 2 N HN O H H 3 C N H N O F F Cl Ki = 1.0 nM 537.01 C[C@@H]1CCC[C@H](N2CCC(c3c(F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccc(N)cc2NC1=O Homo sapiens CHEMBL3888872 cell-free format
CHEMBL4115159 OBDepict O N H N F F Cl H CH 3 O HN O HO H 2 N Ki = 1.0 nM 581.02 C[C@@H]1CCC[C@H](N2CCC(c3c(F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2cc(C(=O)O)c(N)cc2NC1=O Homo sapiens CHEMBL3888872 cell-free format
CHEMBL3260341 OBDepict H 3 C O HN O HN O H H 3 C N H N O F F Cl Ki = 1.0 nM 593.03 COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](n1ccc(-c3c(F)ccc(Cl)c3F)cc1=O)c1cc-2ccn1 Homo sapiens CHEMBL3271332 single protein format
CHEMBL4114872 OBDepict O HN HN O H H 3 C N H N O F F Cl Ki = 1.0 nM 591.06 C[C@@H]1CCC[C@H](N2CCC(c3c(F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2cc3c(cc2NC1=O)NC(=O)CC3 Homo sapiens CHEMBL3888872 cell-free format
CHEMBL3890188 OBDepict NH 2 N CH 3 H 3 C NH O N N N N CH 3 CH 3 O IC50 = 1.2 nM 459.55 Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(Cn3c(C)cc(=O)n3C)cc2)c1 Homo sapiens CHEMBL3888103 cell-free format
CHEMBL4594271 OBDepict NH 2 N N HN O F F F F HN N IC50 = 1.8 nM 562.57 N#Cc1cccc(C(NCC2CC2)c2ccc(F)c(NC(=O)c3cc(C(F)(F)F)nn3-c3cccc(CN)c3)c2)c1 Homo sapiens CHEMBL4844448 single protein format
CHEMBL96433 OBDepict OH N H NH NH 2 Ki = 1.9 nM 327.39 N=C(N)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3O)cc2c1 Homo sapiens CHEMBL841833 single protein format
CHEMBL3974117 OBDepict CH 3 O N N H O O O CH 3 N H N Cl N O H IC50 = 1.9 nM 507.93 COCCC(C(=O)Nc1ccc2c(=O)[nH][nH]c2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O Homo sapiens CHEMBL3889019 cell-free format
CHEMBL4112648 OBDepict CH 3 O HN O N H N O CH 3 N H H 3 C H H N O F F Cl Ki = 2.0 nM 598.05 COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(F)ccc(Cl)c3F)=CC1=O)c1nc-2c(C)[nH]1 Homo sapiens CHEMBL3888872 cell-free format
CHEMBL3355684 OBDepict OH O F F F NH 2 H H NH O H N N H F N H N NH 2 Ki = 2.0 nM 589.59 NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc4c(N)n[nH]c4c3)c(F)[nH]2)CC1.O=C(O)C(F)(F)F Homo sapiens CHEMBL3377180 single protein format
CHEMBL3884851 OBDepict NH 2 N O H 3 C N H O N N O N N IC50 = 2.0 nM 527.63 Cc1nc(N)cc2c1CNC(=O)c1cnn(c1)Cc1ccc(Cn3cccn3)cc1OCCC/C=C/CCO2 Homo sapiens CHEMBL3877122 cell-free format
CHEMBL3939456 OBDepict NH 2 N H 3 C CH 3 N H O N N N CH 3 IC50 = 2.0 nM 400.49 Cc1ccc2cc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)cn3)ccc2n1 Homo sapiens CHEMBL3888103 cell-free format
CHEMBL3985779 OBDepict NH 2 N H 3 C H 3 C N H O N N N Cl IC50 = 2.0 nM 420.9 Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3ccc(Cl)cc3n2)c1 Homo sapiens CHEMBL3888103 cell-free format
CHEMBL3959079 OBDepict NH 2 N H 3 C H 3 C N H O N N O IC50 = 2.1 nM 441.54 Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(OCc3ccccc3)cc2)c1 Homo sapiens CHEMBL3888103 cell-free format
CHEMBL4110267 OBDepict N F Cl N O H N H H 3 C O N H F Ki = 2.27 nM 547.01 C[C@@H]1CCC[C@H](N2CCC(c3c(C#N)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2cc(F)ccc2NC1=O Homo sapiens CHEMBL3888872 cell-free format
CHEMBL3260342 OBDepict H 3 C O HN O HN O N H N O F F Cl Ki = 2.39 nM 579.0 COC(=O)Nc1ccc2c(c1)NC(=O)CCCC[C@H](n1ccc(-c3c(F)ccc(Cl)c3F)cc1=O)c1cc-2ccn1 Homo sapiens CHEMBL3271332 single protein format
CHEMBL3884830 OBDepict NH 2 N CH 3 N H O N N N N IC50 = 2.4 nM 401.47 Cc1nc(N)ccc1CNC(=O)c1cnn(Cc2ccc(Cn3cccn3)cc2)c1 Homo sapiens CHEMBL3877122 cell-free format
CHEMBL4113941 OBDepict O N H H CH 3 F H N N O F N Cl N N N Ki = 2.51 nM 590.03 C[C@@H]1CCC[C@H](N2CCC(c3c(-n4cnnn4)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2cc(F)ccc2NC1=O Homo sapiens CHEMBL3888872 cell-free format
CHEMBL3898446 OBDepict NH 2 N H 3 C H 3 C N H O N N N O IC50 = 2.6 nM 432.53 Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(CN3CCCC3=O)cc2)c1 Homo sapiens CHEMBL3888103 cell-free format
CHEMBL4113610 OBDepict N F Cl N O H N H H 3 C O N H O H 2 N Ki = 3.0 nM 572.04 C[C@@H]1CCC[C@H](N2CCC(c3c(C#N)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccc(C(N)=O)cc2NC1=O Homo sapiens CHEMBL3888872 cell-free format
CHEMBL203055 OBDepict OH O O HO OH N N H Cl HN NH 2 Ki = 3.0 nM 478.89 N=C(N)c1ccc2[nH]c(-c3cc(C(CC(=O)O)C(=O)O)cc(-c4cccc(Cl)c4)c3O)nc2c1 Homo sapiens CHEMBL868878 single protein format
CHEMBL4112773 OBDepict O N H N F N Cl N N N H H 3 C O N H Ki = 3.0 nM 572.04 C[C@@H]1CCC[C@H](N2CCC(c3c(-n4cnnn4)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccccc2NC1=O Homo sapiens CHEMBL3888872 cell-free format
CHEMBL4112483 OBDepict H 2 N HN O H H 3 C N H N O F F Cl Ki = 3.0 nM 534.99 C[C@@H]1CCC[C@H](n2ccc(-c3c(F)ccc(Cl)c3F)cc2=O)c2cc(ccn2)-c2ccc(N)cc2NC1=O Homo sapiens CHEMBL3888872 cell-free format
CHEMBL382418 OBDepict OH O O HO OH N N H HO HN NH 2 Ki = 3.0 nM 460.45 N=C(N)c1ccc2[nH]c(-c3cc(C(CC(=O)O)C(=O)O)cc(-c4cccc(O)c4)c3O)nc2c1 Homo sapiens CHEMBL868878 single protein format
CHEMBL4108491 OBDepict N F Cl N O H N H H 3 C O N H Ki = 3.0 nM 529.02 C[C@@H]1CCC[C@H](N2CCC(c3c(C#N)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccccc2NC1=O Homo sapiens CHEMBL3888872 cell-free format
CHEMBL3914910 OBDepict H 2 N N CH 3 CH 3 N H O N N N IC50 = 3.0 nM 386.46 Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cnc3ccccc3c2)c1 Homo sapiens CHEMBL3888103 cell-free format
CHEMBL3982336 OBDepict NH 2 N H 3 C CH 3 N H O N N N N H 3 C IC50 = 3.0 nM 389.46 Cc1cn2cc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)cn3)ccc2n1 Homo sapiens CHEMBL3888103 cell-free format
CHEMBL4112300 OBDepict N F Cl N O H N H H 3 C O N H F F Ki = 3.1 nM 565.0 C[C@@H]1CCC[C@H](N2CCC(c3c(C#N)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2c(ccc(F)c2F)NC1=O Homo sapiens CHEMBL3888872 cell-free format
CHEMBL3966267 OBDepict H 2 N N CH 3 CH 3 N H O N N N H 3 C H CH 3 IC50 = 3.1 nM 402.5 Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3[nH]c(C)c(C)c3c2)c1 Homo sapiens CHEMBL3888103 cell-free format
CHEMBL3983013 OBDepict H 3 C O N N H O O O H 3 C N H Cl N O OH IC50 = 3.1 nM 534.96 COCCC(C(=O)Nc1ccc2cc(C(=O)O)[nH]c2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O Homo sapiens CHEMBL3889019 cell-free format
CHEMBL4109841 OBDepict H 3 C O HN O HN O H H 3 C N H N O F F H 3 C Ki = 3.25 nM 574.63 COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(F)ccc(C)c3F)=CC1=O)c1cc-2ccn1 Homo sapiens CHEMBL3888872 cell-free format
CHEMBL3951075 OBDepict NH 2 N H 3 C H 3 C N H O N N IC50 = 3.3 nM 411.51 Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cccc(-c3ccccc3)c2)c1 Homo sapiens CHEMBL3888103 cell-free format
CHEMBL4111951 OBDepict O N H N F F Cl H CH 3 O HN F H 2 N Ki = 3.38 nM 555.0 C[C@@H]1CCC[C@H](N2CCC(c3c(F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2cc(F)c(N)cc2NC1=O Homo sapiens CHEMBL3888872 cell-free format
CHEMBL3912182 OBDepict CH 3 O N N H O O O CH 3 N N H Cl N H O IC50 = 3.6 nM 507.93 COCCC(C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O Homo sapiens CHEMBL3889019 cell-free format
CHEMBL4113149 OBDepict H 3 C O HN O HN O H H 3 C N H N O CH 3 Cl Ki = 3.91 nM 573.09 COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3cc(Cl)ccc3C)=CC1=O)c1cc-2ccn1 Homo sapiens CHEMBL3888872 cell-free format
CHEMBL4109421 OBDepict H 3 C NH O N H O H H 3 C N H N O F F Cl Ki = 4.0 nM 579.05 CC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(F)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1 Homo sapiens CHEMBL3888872 cell-free format
CHEMBL205208 OBDepict OH O O HO OH N N H CH 3 HN NH 2 Ki = 4.0 nM 458.47 Cc1cccc(-c2cc(C(CC(=O)O)C(=O)O)cc(-c3nc4cc(C(=N)N)ccc4[nH]3)c2O)c1 Homo sapiens CHEMBL868878 single protein format
CHEMBL4108998 OBDepict HO HN O H H 3 C N H N O F F Cl Ki = 4.0 nM 537.99 C[C@@H]1CCC[C@H](N2CCC(c3c(F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccc(O)cc2NC1=O Homo sapiens CHEMBL3888872 cell-free format
CHEMBL4128066 OBDepict NH 2 N H 3 C N H O N N N O IC50 = 4.0 nM 454.53 Cc1cc(N)nc2c1C(NC(=O)c1cnn(Cc3ccc(Cn4ccccc4=O)cc3)c1)CC2 Homo sapiens CHEMBL4119779 single protein format
CHEMBL3894719 OBDepict H 2 N N H 3 C N H O N N CH 3 N H 3 C CH 3 IC50 = 4.0 nM 414.51 Cc1cc(C)c2cc(Cn3cc(C(=O)NCc4ccc(N)nc4C)cn3)c(C)nc2c1 Homo sapiens CHEMBL3888103 cell-free format
CHEMBL3925029 OBDepict H 2 N N CH 3 H 3 C N H O N N N N Cl IC50 = 4.0 nM 421.89 Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ccc(Cl)cc3n2)nn1 Homo sapiens CHEMBL3888103 cell-free format
CHEMBL3930466 OBDepict H 2 N N CH 3 CH 3 N H O N N N H 3 C IC50 = 4.0 nM 404.52 Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3c(c2)N(C)CCC3)c1 Homo sapiens CHEMBL3888103 cell-free format
CHEMBL3914658 OBDepict NH 2 N H 3 C H 3 C N H O N N N N N IC50 = 4.6 nM 416.49 Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(Cn3ccnn3)cc2)c1 Homo sapiens CHEMBL3888103 cell-free format
CHEMBL3883788 OBDepict NH 2 N O H 3 C N H O N N O N N IC50 = 4.8 nM 527.63 Cc1nc(N)cc2c1CNC(=O)c1cnn(c1)Cc1ccc(Cn3cccn3)cc1OCCCC=CCCO2 Homo sapiens CHEMBL3877122 cell-free format
CHEMBL4106744 OBDepict H 3 C O O H 2 N N H N O H N H H 3 C O F F Cl Ki = 4.83 nM 595.05 COC(=O)c1cc2c(cc1N)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(F)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1 Homo sapiens CHEMBL3888872 cell-free format
CHEMBL3952840 OBDepict NH 2 N H 3 C H 3 C N H O N N N N H O IC50 = 4.9 nM 431.5 Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(Cn3ccc(=O)[nH]3)cc2)c1 Homo sapiens CHEMBL3888103 cell-free format
CHEMBL204614 OBDepict CH 3 O OH N N O OH H O OH HN H 2 N Ki = 5.0 nM 474.47 COc1cccc(-c2cc(C(CC(=O)O)C(=O)O)cc(-c3nc4cc(C(=N)N)ccc4[nH]3)c2O)c1 Homo sapiens CHEMBL868878 single protein format
CHEMBL4114880 OBDepict H 3 C O HN O HN O H H 3 C N H N O CH 3 F Cl Ki = 5.0 nM 591.08 COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(C)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1 Homo sapiens CHEMBL3888872 cell-free format
CHEMBL3398612 OBDepict NH 2 H H NH O H N N H Cl N H N NH 2 Ki = 5.0 nM 492.03 NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc4c(N)n[nH]c4c3)c(Cl)[nH]2)CC1 Homo sapiens CHEMBL3398780 single protein format
CHEMBL3981345 OBDepict H 2 N N H 3 C CH 3 HN O N N N F F F F IC50 = 5.0 nM 472.45 Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cc(C(F)(F)F)c3cc(F)ccc3n2)c1 Homo sapiens CHEMBL3888103 cell-free format
CHEMBL3908961 OBDepict H 3 C O N N N H O CH 3 H 3 C N NH 2 IC50 = 5.0 nM 415.5 COc1ccc2cc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)cn3)ccc2c1 Homo sapiens CHEMBL3888103 cell-free format
CHEMBL4847782 OBDepict NH 2 N N HN O F F F F HN N IC50 = 5.2 nM 538.55 NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cc(C(NCC3CC3)c3ccncc3)ccc2F)c1 Homo sapiens CHEMBL4844448 single protein format
CHEMBL4113815 OBDepict N F Cl N O H N H H 3 C O N H F F Ki = 5.8 nM 565.0 C[C@@H]1CCC[C@H](N2CCC(c3c(C#N)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2c(F)cc(F)cc2NC1=O Homo sapiens CHEMBL3888872 cell-free format
CHEMBL381120 OBDepict CH 3 O OH N N O OH H O OH HN H 2 N Ki = 6.0 nM 474.47 COc1ccccc1-c1cc(C(CC(=O)O)C(=O)O)cc(-c2nc3cc(C(=N)N)ccc3[nH]2)c1O Homo sapiens CHEMBL868878 single protein format
CHEMBL379906 OBDepict OH O O HO OH N N H O CH 3 HN NH 2 Ki = 6.0 nM 486.48 CC(=O)c1cccc(-c2cc(C(CC(=O)O)C(=O)O)cc(-c3nc4cc(C(=N)N)ccc4[nH]3)c2O)c1 Homo sapiens CHEMBL868878 single protein format
CHEMBL204283 OBDepict HO O O OH OH N N H CH 3 NH H 2 N Ki = 6.0 nM 458.47 Cc1ccccc1-c1cc(C(CC(=O)O)C(=O)O)cc(-c2nc3cc(C(=N)N)ccc3[nH]2)c1O Homo sapiens CHEMBL868878 single protein format
CHEMBL3898754 OBDepict NH 2 N H 3 C H 3 C N H O N N N N H 3 C H 3 C IC50 = 6.0 nM 403.49 Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3c(c2)nc(C)n3C)c1 Homo sapiens CHEMBL3888103 cell-free format
CHEMBL3920351 OBDepict NH 2 N H 3 C H 3 C N H O N N O IC50 = 6.0 nM 441.54 Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(COc3ccccc3)cc2)c1 Homo sapiens CHEMBL3888103 cell-free format
CHEMBL3922280 OBDepict CH 3 O N N H O O O CH 3 N N Cl N H IC50 = 6.3 nM 491.94 COCCC(C(=O)Nc1ccc2[nH]ncc2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O Homo sapiens CHEMBL3889019 cell-free format
CHEMBL3980964 OBDepict CH 3 N N H O O O CH 3 F N H N Cl N O H IC50 = 6.3 nM 495.9 CCC(C(=O)Nc1cc(F)c2c(=O)[nH][nH]c2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O Homo sapiens CHEMBL3889019 cell-free format
CHEMBL4868429 OBDepict NH 2 N N HN O F F F F O IC50 = 6.4 nM 538.55 NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cc(C(OCC3CC3)c3ccccc3)ccc2F)c1 Homo sapiens CHEMBL4844448 single protein format
CHEMBL4107139 OBDepict CH 3 O N H O NH O H CH 3 N H N O F H 3 C Ki = 6.44 nM 556.64 COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3cccc(C)c3F)=CC1=O)c1cc-2ccn1 Homo sapiens CHEMBL3888872 cell-free format
CHEMBL4109163 OBDepict N F Cl N O H N H H 3 C O N H F F Ki = 6.46 nM 565.0 C[C@@H]1CCC[C@H](N2CCC(c3c(C#N)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2cc(F)c(F)cc2NC1=O Homo sapiens CHEMBL3888872 cell-free format
CHEMBL3945139 OBDepict CH 3 O N O NH O Cl N O F F F O HO IC50 = 6.5 nM 549.89 COc1cn(C(CCOC(F)(F)F)C(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1-c1cc(Cl)ccc1C#N Homo sapiens CHEMBL3889019 cell-free format
CHEMBL3921526 OBDepict CH 3 O NH O NH O N H N O F F Cl Ki = 6.85 nM 595.05 COC(=O)Nc1ccc2c(c1)NC(=O)CCCCC[C@H](N1CCC(c3c(F)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1 Homo sapiens CHEMBL3888872 cell-free format
CHEMBL4109436 OBDepict O N H N Br F Cl H CH 3 O HN Ki = 7.0 nM 582.9 C[C@@H]1CCC[C@H](N2CCC(c3c(Br)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2ccccc2NC1=O Homo sapiens CHEMBL3888872 cell-free format
CHEMBL3893503 OBDepict NH 2 N CH 3 N H O N N N CH 3 IC50 = 7.0 nM 386.46 Cc1ccc2cc(Cn3cc(C(=O)NCc4ccc(N)nc4C)cn3)ccc2n1 Homo sapiens CHEMBL3888103 cell-free format
CHEMBL4872758 OBDepict NH 2 N N HN O F F F F HN N IC50 = 7.2 nM 562.57 N#Cc1ccc(C(NCC2CC2)c2ccc(F)c(NC(=O)c3cc(C(F)(F)F)nn3-c3cccc(CN)c3)c2)cc1 Homo sapiens CHEMBL4844448 single protein format