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P04629 | NTRK1_HUMAN | High affinity nerve growth factor receptor (NTRK1)

3D structures mapped by conservation among orthologs

[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // I-set_10 ]

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[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // I-set_11 ]

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[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // I-set_11 ]

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[ Domain: "Protein kinase" // Pkinase_Tyr ]

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[ Domain: "Leucine-rich repeats" // LRR_8_1 ]

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[ Domain: "Transmembrane segment of lysosome-associated membrane glycoprotein 2" // EUF08790 ]

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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 Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4562879 OBDepict F F N H H 3 C H N N N N H N H 3 C IC50 = 0.1 nM 354.36 Cc1cc(-c2cnc3ccc(N[C@@H](C)c4ccc(F)cc4F)nn23)[nH]n1 Homo sapiens CHEMBL4397146 assay format
CHEMBL4518176 OBDepict CH 3 N N F F F N H O F N N N HO CH 3 CH 3 IC50 = 0.16 nM 538.51 Cn1ccc(-c2cc(C(=O)Nc3c4ncc(C(C)(C)O)cc4nn3-c3ccccc3)c(F)cc2C(F)(F)F)n1 Homo sapiens CHEMBL4349459 cell-based format
CHEMBL3673479 OBDepict H 3 C O O N NH 2 N N N N N H 3 C IC50 = 0.2 nM 481.56 COc1cc(Cn2c(N)nc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(C2CC2)nc1 Homo sapiens CHEMBL3887112 single protein format
CHEMBL3673478 OBDepict H 3 C O O N H 2 N N N F F F N N CH 3 IC50 = 0.2 nM 508.5 COc1cc(Cn2c(N)nc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL3887112 single protein format
CHEMBL3673477 OBDepict H 3 C O O N H 2 N N N N F F F N N CH 3 IC50 = 0.2 nM 509.49 COc1cc(Cn2c(N)nc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(C(F)(F)F)nc1 Homo sapiens CHEMBL3887112 single protein format
CHEMBL4554856 OBDepict H 3 C N CH 3 N N Cl N O F H CH 3 O N H IC50 = 0.2 nM 417.87 CC(C)N1Cc2cc(cc(F)c2Cl)O[C@@H](C)CNC(=O)c2cnn3cc1cnc23 Homo sapiens CHEMBL4349459 cell-based format
CHEMBL4555442 OBDepict F S NH O O CH 3 N N H N N H 3 C IC50 = 0.2 nM 399.45 Cn1cc(-c2n[nH]c3ccc(NCc4cc(F)ccc4S(C)(=O)=O)cc23)cn1 Homo sapiens CHEMBL4349732 assay format
CHEMBL4462919 OBDepict F S NH O O CH 3 N N H N IC50 = 0.2 nM 396.45 CS(=O)(=O)c1ccc(F)cc1CNc1ccc2[nH]nc(-c3cccnc3)c2c1 Homo sapiens CHEMBL4349732 assay format
CHEMBL3678287 OBDepict H 3 C O O N N H 2 N N N S F F F N N CH 3 IC50 = 0.2 nM 515.52 COc1cc(Cn2c(N)nc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1csc(C(F)(F)F)n1 Homo sapiens CHEMBL3887112 single protein format
CHEMBL3676026 OBDepict HO NH O N N N N H O N F CH 3 IC50 = 0.2 nM 400.41 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCO)c2n1 Homo sapiens CHEMBL3887070 single protein format
CHEMBL3678286 OBDepict CH 3 O O N NH 2 N N F F F N N H 3 C IC50 = 0.2 nM 522.53 COc1cc(Cn2c(N)nc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(CC(F)(F)F)cc1 Homo sapiens CHEMBL3887112 single protein format
CHEMBL3678285 OBDepict CH 3 O O N NH 2 N N N CH 3 CH 3 N N H 3 C IC50 = 0.2 nM 483.58 COc1cc(Cn2c(N)nc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(C(C)C)nc1 Homo sapiens CHEMBL3887112 single protein format
CHEMBL3678284 OBDepict CH 3 O O N NH 2 N N S F F F N N H 3 C IC50 = 0.2 nM 540.57 COc1cc(Cn2c(N)nc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(SC(F)(F)F)cc1 Homo sapiens CHEMBL3887112 single protein format
CHEMBL3678283 OBDepict CH 3 O O N NH 2 N N O F F F N N H 3 C IC50 = 0.2 nM 524.5 COc1cc(Cn2c(N)nc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(OC(F)(F)F)cc1 Homo sapiens CHEMBL3887112 single protein format
CHEMBL4449648 OBDepict H 3 C N CH 3 N F N O N F O N H IC50 = 0.2 nM 401.42 CC(C)N1Cc2cc(c(F)cc2F)OCCCNC(=O)c2cnn3ccc1nc23 Homo sapiens CHEMBL4349459 cell-based format
CHEMBL4562203 OBDepict H 3 C N N F F F HN O F N N N OH CH 3 IC50 = 0.25 nM 524.48 CC(O)c1cnc2c(NC(=O)c3cc(-c4ccn(C)n4)c(C(F)(F)F)cc3F)n(-c3ccccc3)nc2c1 Homo sapiens CHEMBL4349459 cell-based format
CHEMBL3678297 OBDepict H 3 C O O N CH 3 H H 2 N N N F F F N N CH 3 IC50 = 0.3 nM 522.53 COc1cc([C@H](C)n2c(N)nc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL3887112 single protein format
CHEMBL4528647 OBDepict F S HN O O CH 3 N N H N N HN IC50 = 0.3 nM 480.57 CS(=O)(=O)c1ccc(F)cc1CNc1ccc2[nH]nc(-c3ccc(N4CCNCC4)nc3)c2c1 Homo sapiens CHEMBL4349732 assay format
CHEMBL3673452 OBDepict CH 3 O O N NH 2 N N O CH 3 N N H 3 C IC50 = 0.3 nM 470.53 COc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5cnn(C)c5)cnc43)cc2OC)cc1 Homo sapiens CHEMBL3887112 single protein format
CHEMBL3673489 OBDepict H 3 C O O N H 2 N N N F F F F F N N CH 3 IC50 = 0.3 nM 558.51 COc1cc(Cn2c(N)nc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(C(F)(F)C(F)(F)F)cc1 Homo sapiens CHEMBL3887112 single protein format
CHEMBL3673436 OBDepict CH 3 O O N NH 2 N O CH 3 N N H 3 C IC50 = 0.3 nM 469.55 COc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5cnn(C)c5)ccc43)cc2OC)cc1 Homo sapiens CHEMBL3861745 single protein format
CHEMBL4437772 OBDepict CH 3 N N F F F N H O N N OH CH 3 H 3 C IC50 = 0.34 nM 519.53 Cn1ccc(-c2cc(C(=O)Nc3c(-c4ccccc4)nc4ccc(C(C)(C)O)cn34)ccc2C(F)(F)F)n1 Homo sapiens CHEMBL4349459 cell-based format
CHEMBL457614 OBDepict CH 3 O H 3 C N H N N H N Cl N N H H 3 C H N F Ki = 0.36 nM 391.84 CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ncc2Cl)n[nH]1 Homo sapiens CHEMBL4308456 single protein format
CHEMBL4740028 OBDepict O NH N N N N N O O Ki = 0.4 nM 434.5 O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1cnn(-c2ccccc2)n1 Homo sapiens CHEMBL4716039 single protein format
CHEMBL3671153 OBDepict F F H N N N N N H O N N H IC50 = 0.4 nM 437.45 O=C(NCCc1cnc[nH]1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 Homo sapiens CHEMBL3887070 single protein format
CHEMBL3678300 OBDepict CH 3 O O N CH 3 NH 2 N N N F F F N N H 3 C IC50 = 0.4 nM 523.52 COc1cc(C(C)n2c(N)nc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(C(F)(F)F)nc1 Homo sapiens CHEMBL3887112 single protein format
CHEMBL3981141 OBDepict O N H N H S N N O O CH 3 F F F O H 2 N N F IC50 = 0.4 nM 562.51 CS(=O)(=O)c1ccc(C(F)(F)F)cc1NC(=O)Nc1cnc(Oc2ccc(-c3cc(F)cnc3N)cc2)nc1 Homo sapiens CHEMBL3889122 cell-based format
CHEMBL4298138 OBDepict F O H H 3 C N H H H 3 C N N H N O N IC50 = 0.4 nM 355.37 C[C@H]1CNC(=O)c2cnn3ccc(nc23)N[C@H](C)c2cc(F)ccc2O1 Homo sapiens CHEMBL4330199 single protein format
CHEMBL3671135 OBDepict F F H N N N N N H O H H OH IC50 = 0.45 nM 441.48 O=C(N[C@H]1CC[C@H](O)CC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 Homo sapiens CHEMBL3887070 single protein format
CHEMBL4568272 OBDepict O N H N N N N S O NH CH 3 IC50 <= 0.5 nM 510.62 CS(=N)(=O)c1ccc(-c2ccc(CNC(=O)Cn3c4c(c5ccccc53)CCn3nccc3-4)nc2)cc1 Homo sapiens CHEMBL4349459 cell-based format
CHEMBL3673453 OBDepict H 3 C O O O H 3 C N NH 2 N N N P O CH 3 CH 3 IC50 = 0.5 nM 543.56 COc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5ccc(P(C)(C)=O)nc5)cnc43)cc2OC)cc1 Homo sapiens CHEMBL3887112 single protein format
CHEMBL3892052 OBDepict O N H N H S N N O O CH 3 F F F O H 2 N N Cl IC50 = 0.5 nM 578.96 CS(=O)(=O)c1ccc(C(F)(F)F)cc1NC(=O)Nc1cnc(Oc2ccc(-c3cc(Cl)cnc3N)cc2)nc1 Homo sapiens CHEMBL3889122 cell-based format
CHEMBL3671141 OBDepict F F H N N N N NH O IC50 = 0.5 nM 383.4 O=C(NC1CC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 Homo sapiens CHEMBL3887070 single protein format
CHEMBL3673480 OBDepict CH 3 O O N N NH 2 N N S CH 3 N N H 3 C IC50 = 0.5 nM 461.55 COc1cc(Cn2c(N)nc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1csc(C)n1 Homo sapiens CHEMBL3887112 single protein format
CHEMBL3671142 OBDepict F F H N N N N NH O IC50 = 0.55 nM 397.43 O=C(NC1CCC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 Homo sapiens CHEMBL3887070 single protein format
CHEMBL3675942 OBDepict F F H N N N N NH O O IC50 = 0.57 nM 413.43 O=C(NOCC1CC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 Homo sapiens CHEMBL3887070 single protein format
CHEMBL4541382 OBDepict CH 3 O N H H N H H HN O N CH 3 N N N CH 3 IC50 = 0.59 nM 525.66 COCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)[C@@H]2c3ccccc3CC[C@H]21 Homo sapiens CHEMBL4349463 cell-based format
CHEMBL3675941 OBDepict H 3 C O N H O N N N N H F F IC50 = 0.6 nM 373.36 CONC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 Homo sapiens CHEMBL3887070 single protein format
CHEMBL3675926 OBDepict HO N F N N N HN O IC50 = 0.6 nM 395.44 O=C(NC1CC1)c1cnn2ccc(N3CCCC3c3cc(F)ccc3CO)nc12 Homo sapiens CHEMBL3887070 single protein format
CHEMBL3671143 OBDepict F F H N N N N NH O H IC50 = 0.6 nM 437.49 O=C(N[C@H]1CC2CCC1C2)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 Homo sapiens CHEMBL3887070 single protein format
CHEMBL3671148 OBDepict F F H N N N N N H O O IC50 = 0.6 nM 427.46 O=C(NC1CCOCC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 Homo sapiens CHEMBL3887070 single protein format
CHEMBL3673476 OBDepict CH 3 O O N NH 2 N N N O CH 3 N N H 3 C IC50 = 0.6 nM 471.52 COc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5cnn(C)c5)cnc43)cc2OC)cn1 Homo sapiens CHEMBL3887112 single protein format
CHEMBL254895 OBDepict H 2 N N O N O H 3 C S S N N H N Br IC50 = 0.6 nM 547.5 Cc1ccc(Sc2cnc(Nc3cccc(Br)n3)s2)cc1C(=O)N1CCN(C(=O)CN)CC1 Homo sapiens CHEMBL928869 single protein format
CHEMBL4471633 OBDepict CH 3 O H N H N H H F F N H O N H 3 C N N N CH 3 IC50 = 0.64 nM 561.64 COCC[C@@H]1C[C@@H](NC(=O)Nc2c(C)c(-c3cnn(C)c3)nn2-c2ccccc2)[C@@H]2c3ccccc3C(F)(F)CN12 Homo sapiens CHEMBL4349463 cell-based format
CHEMBL4528960 OBDepict H 3 C N O N N CH 3 N H N H O H N H H O F F F IC50 = 0.64 nM 598.67 Cc1c(OCC2CCN(C)CC2)nn(-c2ccccc2)c1NC(=O)N[C@H]1CN(CC(F)(F)F)[C@@H]2COc3ccccc3[C@@H]21 Homo sapiens CHEMBL4349463 cell-based format
CHEMBL4574462 OBDepict H 3 C N N F F F F HN O N N N IC50 = 0.66 nM 480.43 Cn1ccc(-c2cc(C(=O)Nc3c4ncccc4nn3-c3ccccc3)c(F)cc2C(F)(F)F)n1 Homo sapiens CHEMBL4349459 cell-based format
CHEMBL3671472 OBDepict O HN N N Cl O N N N H 2 N IC50 = 0.681 nM 473.92 Nc1ncc2c(C(=O)c3cncc(NC(=O)Cc4ccc(Cl)cn4)c3)cn(C34CC(C3)C4)c2n1 Homo sapiens CHEMBL3887033 single protein format
CHEMBL3974941 OBDepict O N H N H N N F F F N O N N N H 3 C IC50 = 0.7 nM 582.55 Cc1ccn2ncc(-c3ccc(Oc4ncc(NC(=O)Nc5cc(C(F)(F)F)ccc5-c5cccnc5)cn4)cc3)c2n1 Homo sapiens CHEMBL3889122 cell-based format
CHEMBL3671130 OBDepict F F H N N N N N H O N IC50 = 0.7 nM 420.42 O=C(Nc1ccccn1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 Homo sapiens CHEMBL3887070 single protein format
CHEMBL3671129 OBDepict F F H N N N N HN O CH 3 CH 3 H 3 C IC50 = 0.7 nM 399.45 CC(C)(C)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 Homo sapiens CHEMBL3887070 single protein format
CHEMBL3675917 OBDepict N HN O N N N N F F IC50 = 0.7 nM 382.37 N#CCNC(=O)c1cnn2ccc(N3CCCC3c3cc(F)ccc3F)nc12 Homo sapiens CHEMBL3887070 single protein format
CHEMBL4445898 OBDepict O N H N N N N F S O NH CH 3 IC50 <= 0.7 nM 528.61 CS(=N)(=O)c1ccc(-c2ccc(CNC(=O)Cn3c4c(c5cc(F)ccc53)CCn3nccc3-4)nc2)cc1 Homo sapiens CHEMBL4349459 cell-based format
CHEMBL3675918 OBDepict F N H CH 3 H 3 C O N N N N H F F IC50 = 0.8 nM 417.44 CC(C)(CF)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 Homo sapiens CHEMBL3887070 single protein format
CHEMBL3671469 OBDepict NH 2 N N N O N N H O N N F F F IC50 = 0.825 nM 496.45 Nc1ncc2c(C(=O)c3cncc(NC(=O)Cn4ccc(C(F)(F)F)n4)c3)cn(C34CC(C3)C4)c2n1 Homo sapiens CHEMBL3887033 single protein format
CHEMBL3545365 OBDepict O NH N O F F N H O NH O F IC50 = 0.85 nM 510.47 O=C(Nc1cc(Oc2cc(F)c(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2F)ccn1)C1CC1 Homo sapiens CHEMBL3857926 single protein format
CHEMBL4459162 OBDepict O HN F N N N N F F F HO CH 3 CH 3 IC50 = 0.89 nM 535.5 CC(C)(O)c1ccc2nc(-c3ccccc3)c(NC(=O)c3cc(-c4ncccn4)c(C(F)(F)F)cc3F)n2c1 Homo sapiens CHEMBL4349459 cell-based format
CHEMBL3671144 OBDepict HO NH O N N N N H F F IC50 = 0.9 nM 413.43 O=C(NC1(CO)CC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 Homo sapiens CHEMBL3887070 single protein format
CHEMBL3904952 OBDepict CH 3 O N H N F N N N NH O HO IC50 = 0.9 nM 454.51 COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCC(O)CC3)c2n1 Homo sapiens CHEMBL3887070 single protein format
CHEMBL3676038 OBDepict F F H N N N N N H O H H HO IC50 = 0.9 nM 427.46 O=C(N[C@H]1CC[C@H](O)C1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 Homo sapiens CHEMBL3887070 single protein format
CHEMBL4456430 OBDepict O N H N N N N F F F IC50 <= 0.9 nM 487.49 O=C(Cn1c2c(c3cc(F)ccc31)CCn1nccc1-2)NCc1ccc(-c2c(F)cccc2F)cn1 Homo sapiens CHEMBL4349459 cell-based format
CHEMBL4549659 OBDepict H N N N N H N H N H S HN O O CH 3 IC50 = 0.9 nM 491.62 CS(=O)(=O)Nc1ccccc1CNc1ccc2[nH]nc(-c3ccc(NC4CCNCC4)nc3)c2c1 Homo sapiens CHEMBL4349732 assay format
CHEMBL3673463 OBDepict H 3 C O O N N N N CH 3 N N N H IC50 = 0.9 nM 509.61 COc1cc(Cn2cnc3cc(-c4cnn(C5CCNCC5)c4)cnc32)ccc1OCc1ccc(C)nc1 Homo sapiens CHEMBL3887112 single protein format
CHEMBL3675965 OBDepict H 3 C O O H N F N N N N H O IC50 = 0.95 nM 439.49 COCCOc1ccc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 Homo sapiens CHEMBL3887070 single protein format
CHEMBL3671133 OBDepict F F H N N N N NH O O H 3 C IC50 = 0.95 nM 437.45 Cc1ccc(CNC(=O)c2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)o1 Homo sapiens CHEMBL3887070 single protein format
CHEMBL3671132 OBDepict F F H N N N N N H O N O IC50 = 0.95 nM 456.5 O=C(NCCN1CCOCC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 Homo sapiens CHEMBL3887070 single protein format
CHEMBL4297627 OBDepict F N H N N H CH 3 N H N O N IC50 = 0.98 nM 380.43 C[C@@H]1CCc2ncc(F)cc2[C@H]2CCCN2c2ccn3ncc(c3n2)C(=O)N1 Homo sapiens CHEMBL4330196 single protein format
CHEMBL211168 OBDepict NH 2 N H O S N O H 2 N S IC50 < 1.0 nM 362.48 NC(=O)Nc1snc(SC2CCCCc3ccccc32)c1C(N)=O Homo sapiens CHEMBL867240 single protein format
CHEMBL3909331 OBDepict O NH N H N N F F F N O NH 2 N F IC50 = 1.0 nM 561.5 Nc1ncc(F)cc1-c1ccc(Oc2ncc(NC(=O)Nc3cc(C(F)(F)F)ccc3-c3cccnc3)cn2)cc1 Homo sapiens CHEMBL3889122 cell-based format
CHEMBL4216500 OBDepict H 3 C N N N O NH 2 H N F F O O F F F IC50 = 1.0 nM 497.42 Cn1cnc(-c2cnc(N)c(O[C@H]3CN(C(=O)Cc4ccc(OC(F)(F)F)cc4)CC3(F)F)c2)c1 Homo sapiens CHEMBL4195799 cell-based format
CHEMBL3977304 OBDepict O HN N H N N N N F F F N O H 3 C H 2 N N Cl IC50 = 1.0 nM 581.95 Cc1cn(-c2ccc(C(F)(F)F)cc2NC(=O)Nc2cnc(Oc3ccc(-c4cc(Cl)cnc4N)cc3)nc2)nn1 Homo sapiens CHEMBL3889122 cell-based format
CHEMBL3968810 OBDepict O NH N H Cl N N F F F O NH 2 N Cl IC50 = 1.0 nM 535.31 Nc1ncc(Cl)cc1-c1ccc(Oc2ncc(NC(=O)Nc3cc(C(F)(F)F)ccc3Cl)cn2)cc1 Homo sapiens CHEMBL3889122 cell-based format
CHEMBL211095 OBDepict H 2 N N H O S N O NH 2 S H IC50 < 1.0 nM 362.48 NC(=O)Nc1snc(S[C@@H]2CCCCc3ccccc32)c1C(N)=O Homo sapiens CHEMBL867240 single protein format
CHEMBL3915638 OBDepict O N H N H N N N N F F F O H 2 N N Cl IC50 = 1.0 nM 566.93 Nc1ncc(Cl)cc1-c1ccc(Oc2ncc(NC(=O)Nc3cc(C(F)(F)F)ccc3-n3cccn3)cn2)cc1 Homo sapiens CHEMBL3889122 cell-based format
CHEMBL3957079 OBDepict H 3 C O N N N O N N N H NH O F F F N IC50 = 1.0 nM 598.55 COc1ccn2ncc(-c3ccc(Oc4ncc(NC(=O)Nc5cc(C(F)(F)F)ccc5-c5cccnc5)cn4)cc3)c2n1 Homo sapiens CHEMBL3889122 cell-based format
CHEMBL3950761 OBDepict O N H N H N N N F F F N O H 2 N N Cl IC50 = 1.0 nM 566.93 Nc1ncc(Cl)cc1-c1ccc(Oc2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3-n3ccnn3)cn2)cc1 Homo sapiens CHEMBL3889122 cell-based format
CHEMBL3899159 OBDepict O NH N H N F F F N O NH 2 N Cl IC50 = 1.0 nM 576.97 Nc1ncc(Cl)cc1-c1ccc(Oc2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3-c3cccnc3)cn2)cc1 Homo sapiens CHEMBL3889122 cell-based format
CHEMBL4438294 OBDepict OH N N N H O N F F F N H 3 C IC50 = 1.0 nM 491.47 Cn1ccc(-c2cc(C(=O)Nc3c(-c4ccccc4)nc4ccc(CO)cn34)ccc2C(F)(F)F)n1 Homo sapiens CHEMBL4349459 cell-based format
CHEMBL3895805 OBDepict O NH NH N N F F F N O N N N H IC50 = 1.0 nM 568.52 O=C(Nc1cnc(Oc2ccc(-c3cnc4[nH]ncc4c3)cc2)nc1)Nc1cc(C(F)(F)F)ccc1-c1cccnc1 Homo sapiens CHEMBL3889122 cell-based format
CHEMBL3976747 OBDepict O HN HN N N F F F N O N N IC50 = 1.0 nM 567.53 O=C(Nc1cnc(Oc2ccc(-c3cnn4ccccc34)cc2)nc1)Nc1cc(C(F)(F)F)ccc1-c1cccnc1 Homo sapiens CHEMBL3889122 cell-based format
CHEMBL3910954 OBDepict O HN HN N N F F F N O N N N IC50 = 1.0 nM 568.52 O=C(Nc1cnc(Oc2ccc(-c3cnc4cnccn34)cc2)nc1)Nc1cc(C(F)(F)F)ccc1-c1cccnc1 Homo sapiens CHEMBL3889122 cell-based format
CHEMBL3955841 OBDepict O NH NH N N N N F F F O N N IC50 = 1.0 nM 556.51 O=C(Nc1cnc(Oc2ccc(-c3cnc4ccccn34)cc2)nc1)Nc1cc(C(F)(F)F)ccc1-n1cccn1 Homo sapiens CHEMBL3889122 cell-based format
CHEMBL3928224 OBDepict H 3 C O N N N O N N N H NH O N N F F F IC50 = 1.0 nM 587.52 COc1ccc2ncc(-c3ccc(Oc4ncc(NC(=O)Nc5cc(C(F)(F)F)ccc5-n5cccn5)cn4)cc3)n2n1 Homo sapiens CHEMBL3889122 cell-based format
CHEMBL3919320 OBDepict H 3 C O N N N O N N N H NH O F F F N IC50 = 1.0 nM 598.55 COc1ccc2ncc(-c3ccc(Oc4ncc(NC(=O)Nc5cc(C(F)(F)F)ccc5-c5cccnc5)cn4)cc3)n2n1 Homo sapiens CHEMBL3889122 cell-based format
CHEMBL3947206 OBDepict O HN HN N N F F F N O N N N IC50 = 1.0 nM 568.52 O=C(Nc1cnc(Oc2ccc(-c3cnn4cccnc34)cc2)nc1)Nc1cc(C(F)(F)F)ccc1-c1cccnc1 Homo sapiens CHEMBL3889122 cell-based format
CHEMBL3968770 OBDepict CH 3 NH N S O N N HN HN O S O O CH 3 F F F IC50 = 1.0 nM 592.63 CCCNc1ncc(-c2ccc(Oc3ncc(NC(=O)Nc4cc(C(F)(F)F)ccc4S(C)(=O)=O)cn3)cc2)s1 Homo sapiens CHEMBL3887907 cell-based format
CHEMBL3984502 OBDepict O N H N H N N N N F F F N O H 2 N N F IC50 = 1.0 nM 551.46 Nc1ncc(F)cc1-c1ccc(Oc2ncc(NC(=O)Nc3cc(C(F)(F)F)ccc3-n3ccnn3)cn2)cc1 Homo sapiens CHEMBL3889122 cell-based format
CHEMBL3976441 OBDepict O N H N H N N N N O F F F H 2 N N Cl IC50 = 1.0 nM 566.93 Nc1ncc(Cl)cc1-c1ccc(Oc2ncc(NC(=O)Nc3ccc(C(F)(F)F)cc3-n3cccn3)cn2)cc1 Homo sapiens CHEMBL3889122 cell-based format
CHEMBL251796 OBDepict O N H 2 N CH 3 H N O H 3 C S S N N H N Br IC50 = 1.0 nM 561.53 Cc1ccc(Sc2cnc(Nc3cccc(Br)n3)s2)cc1C(=O)N1CCN(C(=O)[C@@H](C)N)CC1 Homo sapiens CHEMBL928869 single protein format
CHEMBL251795 OBDepict O N H 2 N CH 3 H N O H 3 C S S N N H N Br IC50 = 1.0 nM 561.53 Cc1ccc(Sc2cnc(Nc3cccc(Br)n3)s2)cc1C(=O)N1CCN(C(=O)[C@H](C)N)CC1 Homo sapiens CHEMBL928869 single protein format
CHEMBL3678301 OBDepict HO N N N NH 2 CH 3 O O CH 3 N F F F IC50 = 1.0 nM 511.5 COc1cc(C(C)n2c(N)nc3cc(C#CCCO)cnc32)ccc1OCc1ccc(C(F)(F)F)nc1 Homo sapiens CHEMBL3887112 single protein format
CHEMBL3673462 OBDepict CH 3 O O N N N N O CH 3 N N HN IC50 = 1.0 nM 525.61 COc1ccc(COc2ccc(Cn3cnc4cc(-c5cnn(C6CCNCC6)c5)cnc43)cc2OC)cn1 Homo sapiens CHEMBL3887112 single protein format
CHEMBL254050 OBDepict CH 3 N O N O CH 3 S S N N H N Br IC50 = 1.0 nM 532.49 CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(Nc4cccc(Br)n4)s3)ccc2C)CC1 Homo sapiens CHEMBL928869 single protein format
CHEMBL4589669 OBDepict O N H HN O N H 2 N N N CH 3 CH 3 IC50 < 1.0 nM 464.53 CC(C)c1cc(C(=O)c2cccc(NC(=O)Nc3ccc4ccccc4c3)c2)c2c(N)ncnn12 Homo sapiens CHEMBL4349466 single protein format
CHEMBL3675932 OBDepict OH OH HN O N N N N F HO IC50 = 1.0 nM 429.45 O=C(NCC(O)CO)c1cnn2ccc(N3CCCC3c3cc(F)ccc3CO)nc12 Homo sapiens CHEMBL3887070 single protein format
CHEMBL4469681 OBDepict F F H N N N N H 2 N O H 2 N IC50 < 1.0 nM 358.35 NC(=O)c1c(N)nn2cc(N3CCC[C@@H]3c3cc(F)ccc3F)cnc12 Homo sapiens CHEMBL4349455 single protein format
CHEMBL4549982 OBDepict F HN O NH 2 N N N N H F F IC50 < 1.0 nM 452.44 Nc1nn2cc(N3CCC[C@@H]3c3cc(F)ccc3F)cnc2c1C(=O)Nc1ccc(F)cc1 Homo sapiens CHEMBL4349455 single protein format
CHEMBL4457005 OBDepict O N H HN Cl Cl O N H 2 N N N CH 3 CH 3 IC50 < 1.0 nM 483.36 CC(C)c1cc(C(=O)c2cccc(NC(=O)Nc3ccc(Cl)cc3Cl)c2)c2c(N)ncnn12 Homo sapiens CHEMBL4349466 single protein format
CHEMBL3582441 OBDepict OH O N N N N N N N H F IC50 = 1.0 nM 501.57 O=C(O)CN1CCN(c2cc(-c3cnc4ccc(N5CCC[C@@H]5c5cccc(F)c5)nn34)ccn2)CC1 Homo sapiens CHEMBL3583413 cell-based format
CHEMBL4539407 OBDepict NH 2 N HN O N N N H O Cl Cl N F IC50 = 1.02 nM 576.42 Nc1cc(CNC(=O)c2cc(NC(=O)c3cc(-c4cccc(F)n4)c(Cl)cc3Cl)n(-c3ccccc3)n2)ccn1 Homo sapiens CHEMBL4349462 assay format
CHEMBL3915172 OBDepict NH 2 N HN O N N N H O Cl Cl N F IC50 = 1.02 nM 576.42 Nc1cc(CNC(=O)c2cc(NC(=O)c3cc(-c4ncccc4F)c(Cl)cc3Cl)n(-c3ccccc3)n2)ccn1 Homo sapiens CHEMBL3888383 assay format