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Q16620 | NTRK2_HUMAN | BDNF/NT-3 growth factors receptor (NTRK2)

3D structures mapped by conservation among orthologs

[ 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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[ 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
CHEMBL3673452 OBDepict CH 3 O O N NH 2 N N O CH 3 N N H 3 C IC50 = 0.1 nM 470.53 COc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5cnn(C)c5)cnc43)cc2OC)cc1 Homo sapiens CHEMBL3705888 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 CHEMBL3705888 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 CHEMBL3705888 single protein 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 CHEMBL3705888 single protein 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 CHEMBL3705888 single protein format
CHEMBL3673480 OBDepict CH 3 O O N N NH 2 N N S CH 3 N N H 3 C IC50 = 0.2 nM 461.55 COc1cc(Cn2c(N)nc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1csc(C)n1 Homo sapiens CHEMBL3705888 single protein 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 CHEMBL4349746 assay 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 = 0.2 nM 543.56 COc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5ccc(P(C)(C)=O)nc5)cnc43)cc2OC)cc1 Homo sapiens CHEMBL3705888 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 CHEMBL3705888 single protein format
CHEMBL3678286 OBDepict CH 3 O O N NH 2 N N F F F N N H 3 C IC50 = 0.3 nM 522.53 COc1cc(Cn2c(N)nc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(CC(F)(F)F)cc1 Homo sapiens CHEMBL3705888 single protein format
CHEMBL3673476 OBDepict CH 3 O O N NH 2 N N N O CH 3 N N H 3 C IC50 = 0.3 nM 471.52 COc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5cnn(C)c5)cnc43)cc2OC)cn1 Homo sapiens CHEMBL3705888 single protein format
CHEMBL3673478 OBDepict H 3 C O O N H 2 N N N F F F N N CH 3 IC50 = 0.3 nM 508.5 COc1cc(Cn2c(N)nc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL3705888 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 CHEMBL3861746 single protein format
CHEMBL3286829 OBDepict F H CH 3 O O N CH 3 NH 2 N N CH 3 N Ki = 0.4 nM 421.48 C[C@H]1Oc2cc(cnc2N)-c2c(C3CC3)nn(C)c2CN(C)C(=O)c2ccc(F)cc21 Homo sapiens CHEMBL3293393 single protein format
CHEMBL3286820 OBDepict F H CH 3 O O N CH 3 NH 2 N N CH 3 N H 3 C Ki = 0.5 nM 395.44 Cc1nn(C)c2c1-c1cnc(N)c(c1)O[C@H](C)c1cc(F)ccc1C(=O)N(C)C2 Homo sapiens CHEMBL3293393 single protein format
CHEMBL3678284 OBDepict CH 3 O O N NH 2 N N S F F F N N H 3 C IC50 = 0.6 nM 540.57 COc1cc(Cn2c(N)nc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(SC(F)(F)F)cc1 Homo sapiens CHEMBL3705888 single protein 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 = 0.6 nM 522.53 COc1cc([C@H](C)n2c(N)nc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL3705888 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 = 0.6 nM 523.52 COc1cc(C(C)n2c(N)nc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(C(F)(F)F)nc1 Homo sapiens CHEMBL3705888 single protein format
CHEMBL3673463 OBDepict H 3 C O O N N N N CH 3 N N N H IC50 = 0.6 nM 509.61 COc1cc(Cn2cnc3cc(-c4cnn(C5CCNCC5)c4)cnc32)ccc1OCc1ccc(C)nc1 Homo sapiens CHEMBL3705888 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 = 0.6 nM 558.51 COc1cc(Cn2c(N)nc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(C(F)(F)C(F)(F)F)cc1 Homo sapiens CHEMBL3705888 single protein format
CHEMBL3673486 OBDepict CH 3 O O N NH 2 N N N O CH 3 N IC50 = 0.7 nM 468.52 COc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5ccncc5)cnc43)cc2OC)cn1 Homo sapiens CHEMBL3705888 single protein format
CHEMBL4794404 OBDepict H 3 C N N N H O N S CH 3 N H N N IC50 = 0.71 nM 473.61 Cc1nc(NC(=O)CN2CCN(C)CC2)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 Homo sapiens CHEMBL4774749 single protein format
CHEMBL3673462 OBDepict CH 3 O O N N N N O CH 3 N N HN IC50 = 0.9 nM 525.61 COc1ccc(COc2ccc(Cn3cnc4cc(-c5cnn(C6CCNCC6)c5)cnc43)cc2OC)cn1 Homo sapiens CHEMBL3705888 single protein format
CHEMBL3678292 OBDepict CH 3 O O N CH 3 NH 2 N N O CH 3 N N H 3 C IC50 = 1.0 nM 484.56 COc1ccc(COc2ccc(C(C)n3c(N)nc4cc(-c5cnn(C)c5)ccc43)cc2OC)cn1 Homo sapiens CHEMBL3705888 single protein format
CHEMBL3673439 OBDepict CH 3 O O N NH 2 N O CH 3 N N N O IC50 = 1.0 nM 568.68 COc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5cnn(CCN6CCOCC6)c5)ccc43)cc2OC)cc1 Homo sapiens CHEMBL3705888 single protein format
CHEMBL3678299 OBDepict H 3 C O O N CH 3 N N N F F F N N H 3 C IC50 = 1.0 nM 508.5 COc1cc(C(C)n2cnc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(C(F)(F)F)nc1 Homo sapiens CHEMBL3705888 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 CHEMBL3705888 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 CHEMBL4349460 single protein format
CHEMBL4467309 OBDepict O N H HN O O N NH 2 N N H 3 C CH 3 IC50 = 1.0 nM 520.59 CC(C)c1cc(C(=O)c2cccc(NC(=O)Nc3ccc(OCc4ccccc4)cc3)c2)c2c(N)ncnn12 Homo sapiens CHEMBL4349460 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 CHEMBL4349460 single protein format
CHEMBL4515809 OBDepict O N H HN O N H 2 N N N CH 3 CH 3 IC50 < 1.0 nM 414.47 CC(C)c1cc(C(=O)c2cccc(NC(=O)Nc3ccccc3)c2)c2c(N)ncnn12 Homo sapiens CHEMBL4349460 single protein format
CHEMBL1684800 OBDepict H 3 C O N N NH 2 N H O CH 3 N H NH O Cl F F F IC50 < 1.0 nM 572.98 COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)ccc3C)c2N)cc1 Homo sapiens CHEMBL1687377 single protein format
CHEMBL3582439 OBDepict F H N N N N N IC50 = 1.0 nM 359.41 Fc1cccc([C@H]2CCCN2c2ccc3ncc(-c4ccccn4)n3n2)c1 Homo sapiens CHEMBL3582855 cell-based format
CHEMBL4461026 OBDepict H 3 C N CH 3 N N O N NH 2 N H HN O Cl Cl IC50 = 1.0 nM 526.43 CN(C)CCCc1cc(C(=O)c2cccc(NC(=O)Nc3ccc(Cl)cc3Cl)c2)c2c(N)ncnn12 Homo sapiens CHEMBL4349460 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 CHEMBL3582855 cell-based format
CHEMBL4795806 OBDepict H N N HN N IC50 = 1.1 nM 326.4 C(=C/c1n[nH]c2ccc(NCc3ccccc3)cc12)c1ccccn1 Homo sapiens CHEMBL4772613 single protein format
CHEMBL1980995 OBDepict H 3 C NH O O N CH 3 CH 3 N O N H IC50 = 1.182 nM 466.54 CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL3707732 single protein format
CHEMBL4782515 OBDepict F F O N N H N IC50 = 1.2 nM 363.37 Fc1cc(F)cc(COc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1 Homo sapiens CHEMBL4772613 single protein format
CHEMBL4787950 OBDepict F F N N H N IC50 = 1.3 nM 347.37 Fc1cc(F)cc(Cc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1 Homo sapiens CHEMBL4772613 single protein format
CHEMBL3673487 OBDepict CH 3 O O N NH 2 N N N O CH 3 N IC50 = 2.0 nM 468.52 COc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5cccnc5)cnc43)cc2OC)cn1 Homo sapiens CHEMBL3705888 single protein format
CHEMBL3673488 OBDepict CH 3 O O N NH 2 N N N O CH 3 N IC50 = 2.0 nM 468.52 COc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5ccccn5)cnc43)cc2OC)cn1 Homo sapiens CHEMBL3705888 single protein format
CHEMBL3673483 OBDepict CH 3 O O N NH 2 N N N O CH 3 N N H 3 C IC50 = 2.0 nM 471.52 COc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5ccn(C)n5)cnc43)cc2OC)cn1 Homo sapiens CHEMBL3705888 single protein format
CHEMBL3666254 OBDepict O HN N Cl O N N N CH 3 CH 3 NH 2 IC50 = 2.0 nM 448.91 CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cnc(N)nc21 Homo sapiens CHEMBL4681385 cell-based format
CHEMBL4748276 OBDepict HO N CH 3 H 3 C N O H 2 N N N N H O Cl IC50 = 2.0 nM 478.94 CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cnc(N)nc21 Homo sapiens CHEMBL4681385 cell-based format
CHEMBL4790022 OBDepict O HN N Cl O N H 2 N N N CH 3 CH 3 IC50 = 2.0 nM 448.91 CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2c(N)ncnc21 Homo sapiens CHEMBL4681385 cell-based format
CHEMBL4791998 OBDepict F N H O HN N O N NH ClH IC50 = 2.04 nM 443.91 Cl.O=C1Nc2ccc(F)cc2/C1=C1/Nc2ccccc2/C1=NOCCN1CCNCC1 Homo sapiens CHEMBL4768798 single protein format
CHEMBL3671311 OBDepict CH 3 N CH 3 N O N N H NH O N H H 3 C H F F F F IC50 = 2.064 nM 542.54 C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(CCN(C)C)C3=O Homo sapiens CHEMBL3707732 single protein format
CHEMBL4743163 OBDepict H N H 3 C CH 3 F N F N N NH N O H 3 C CH 3 CH 3 CH 3 IC50 = 2.4 nM 430.5 CC(C)N(C(=O)Nc1cnn2ccc(N(C)[C@H](C)c3cc(F)ccc3F)nc12)C(C)C Homo sapiens CHEMBL4678167 single protein format
CHEMBL4210892 OBDepict CH 3 N N N O O H 2 N H H F N O O F F F IC50 = 2.6 nM 521.47 Cn1cnc(-c2cnc(O[C@H]3CCN(C(=O)Cc4ccc(OC(F)(F)F)cc4)C[C@H]3F)c(C(N)=O)c2)c1 Homo sapiens CHEMBL4195800 cell-based format
CHEMBL4211921 OBDepict O N H O O N O NH 2 F F F N N CH 3 IC50 = 2.7 nM 489.45 Cn1cc(-c2ccc(O[C@@H]3CCN(C(=O)Cc4ccc(OC(F)(F)F)cc4)C3)c(C(N)=O)n2)cn1 Homo sapiens CHEMBL4195800 cell-based format
CHEMBL4792981 OBDepict F F NH H 3 C H N N H N IC50 = 2.9 nM 376.41 C[C@@H](Nc1ccc2[nH]nc(/C=C/c3ccccn3)c2c1)c1cc(F)cc(F)c1 Homo sapiens CHEMBL4772613 single protein format
CHEMBL3678289 OBDepict HO N N N NH 2 O O CH 3 N O CH 3 IC50 = 3.0 nM 459.51 COc1ccc(COc2ccc(Cn3c(N)nc4cc(C#CCCO)cnc43)cc2OC)cn1 Homo sapiens CHEMBL3705888 single protein format
CHEMBL1983268 OBDepict H 3 C N N NH HN O N O N H F F IC50 = 3.0 nM 560.65 CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1 Homo sapiens CHEMBL3807304 cell-based format
CHEMBL2172308 OBDepict CH 3 N H CH 3 O H H N N N H O N F OH H 3 C H 3 C IC50 < 3.0 nM 577.75 CC(C)NC(=O)[C@H]1CC[C@@H](n2/c(=N/C(=O)c3ccc(F)cc3)[nH]c3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1 Homo sapiens CHEMBL4330192 single protein format
CHEMBL3678298 OBDepict H 3 C O O N CH 3 H H 2 N N N F F F N N CH 3 IC50 = 3.0 nM 522.53 COc1cc([C@@H](C)n2c(N)nc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL3705888 single protein format
CHEMBL4795791 OBDepict O N H NH N N N N HO H 3 C CH 3 H F F IC50 = 3.1 nM 438.44 C[C@H](c1cc(F)ccc1F)N(C)c1ccn2ncc(NC(=O)Nc3ccc(O)cc3)c2n1 Homo sapiens CHEMBL4678167 single protein format
CHEMBL4784645 OBDepict F F NH H 3 C H N N N N H N O H OH IC50 = 3.1 nM 402.41 C[C@@H](Nc1ccn2ncc(NC(=O)N3CC[C@H](O)C3)c2n1)c1cc(F)ccc1F Homo sapiens CHEMBL4678167 single protein format
CHEMBL3671309 OBDepict H 3 C N N O N N H HN O N H CH 3 H F F F F IC50 = 3.483 nM 568.58 C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)CN(C1CCN(C)CC1)C3=O Homo sapiens CHEMBL3707732 single protein format
CHEMBL4786112 OBDepict F HN F N N H N IC50 = 3.5 nM 362.38 Fc1cc(F)cc(NCc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1 Homo sapiens CHEMBL4772613 single protein format
CHEMBL3673481 OBDepict CH 3 O O N NH 2 N N N O CH 3 IC50 = 4.0 nM 467.53 COc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5ccccc5)cnc43)cc2OC)cn1 Homo sapiens CHEMBL3705888 single protein format
CHEMBL3673482 OBDepict CH 3 O O N NH 2 N N N O CH 3 F IC50 = 4.0 nM 485.52 COc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5ccc(F)cc5)cnc43)cc2OC)cn1 Homo sapiens CHEMBL3705888 single protein format
CHEMBL3661485 OBDepict O HN N N N O N N N CH 3 H 3 C IC50 = 4.0 nM 429.48 CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(C4CC4)n3)c2)c2cncnc21 Homo sapiens CHEMBL4681385 cell-based format
CHEMBL4212531 OBDepict HO N CH 3 H 3 C N O H 2 N N N N H O N Cl IC50 = 4.0 nM 479.93 CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cn3)c2)c2cnc(N)nc21 Homo sapiens CHEMBL4681385 cell-based format
CHEMBL3128069 OBDepict HO OH CH 3 N S CH 3 N O H 2 N CH 3 H N F N N IC50 = 4.0 nM 470.53 Cc1nc([C@](C)(O)CO)sc1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2-n2nccn2)c1 Homo sapiens CHEMBL3129259 single protein format
CHEMBL3661464 OBDepict O HN N Cl O N N N CH 3 CH 3 IC50 = 4.0 nM 433.9 CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cncnc21 Homo sapiens CHEMBL4681385 cell-based format
CHEMBL3673438 OBDepict CH 3 O O N NH 2 N O CH 3 N IC50 = 4.0 nM 466.54 COc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5ccncc5)ccc43)cc2OC)cc1 Homo sapiens CHEMBL3705888 single protein format
CHEMBL3582442 OBDepict HO N N N N N N H F IC50 = 4.0 nM 458.54 OC1CCN(c2cc(-c3cnc4ccc(N5CCC[C@@H]5c5cccc(F)c5)nn34)ccn2)CC1 Homo sapiens CHEMBL3582855 cell-based format
CHEMBL3582440 OBDepict OH N N N N N N H F IC50 = 4.0 nM 458.54 OC1CCN(c2cccc(-c3cnc4ccc(N5CCC[C@@H]5c5cccc(F)c5)nn34)n2)CC1 Homo sapiens CHEMBL3582855 cell-based format
CHEMBL575448 OBDepict F N HN O CH 3 N N N N N H N H N IC50 = 4.0 nM 461.51 C[C@@]1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)n[nH]2)c2cccn2n1 Homo sapiens CHEMBL4330192 single protein format
CHEMBL4778721 OBDepict F O F N N H N IC50 = 4.0 nM 349.34 Fc1cc(F)cc(Oc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1 Homo sapiens CHEMBL4772613 single protein format
CHEMBL3678302 OBDepict OH N N N O O H 3 C N F F IC50 = 4.0 nM 464.47 COc1cc(Cn2cnc3cc(C#CCCO)cnc32)ccc1OCc1ccc(C(F)F)nc1 Homo sapiens CHEMBL3705888 single protein format
CHEMBL4763430 OBDepict F F N CH 3 H H 3 C N N N N H N O H HO IC50 = 4.1 nM 416.43 C[C@H](c1cc(F)ccc1F)N(C)c1ccn2ncc(NC(=O)N3CC[C@H](O)C3)c2n1 Homo sapiens CHEMBL4678167 single protein format
CHEMBL4204174 OBDepict O N O O F F F O NH 2 N N CH 3 IC50 = 4.2 nM 502.49 Cn1cc(-c2ccc(OC3CCN(C(=O)Cc4ccc(OC(F)(F)F)cc4)CC3)c(C(N)=O)c2)cn1 Homo sapiens CHEMBL4195800 cell-based format
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 4.5 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL3225462 single protein format
CHEMBL3545365 OBDepict O NH N O F F N H O NH O F IC50 = 4.6 nM 510.47 O=C(Nc1cc(Oc2cc(F)c(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2F)ccn1)C1CC1 Homo sapiens CHEMBL3857927 single protein format
CHEMBL4856292 OBDepict F F H N N N N N H N O H OH IC50 = 4.7 nM 428.44 O=C(Nc1cnn2ccc(N3CCC[C@H]3c3cc(F)ccc3F)nc12)N1CC[C@@H](O)C1 Homo sapiens CHEMBL4840465 cell-based format
CHEMBL4797186 OBDepict F S F N N H N IC50 = 4.8 nM 365.41 Fc1cc(F)cc(Sc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1 Homo sapiens CHEMBL4772613 single protein format
CHEMBL4795019 OBDepict F NH N N H N IC50 = 4.9 nM 344.39 Fc1cccc(CNc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1 Homo sapiens CHEMBL4772613 single protein format
CHEMBL3942935 OBDepict O HN N N N O N N CH 3 H 3 C IC50 = 5.0 nM 428.5 CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(C4CC4)n3)c2)c2cnccc21 Homo sapiens CHEMBL4681385 cell-based format
CHEMBL4744936 OBDepict O N H HN N F F O N H 2 N N N CH 3 CH 3 IC50 = 5.0 nM 451.44 CC(C)n1cc(C(=O)c2ccnc(NC(=O)Nc3ccc(F)cc3F)c2)c2c(N)ncnc21 Homo sapiens CHEMBL4681385 cell-based format
CHEMBL518051 OBDepict CH 3 S O O HO O N H N H N S Cl N N H S N IC50 = 5.0 nM 527.05 CS(=O)(=O)O.O=C(Nc1cccc(Cl)c1)Nc1ncc(CCN=c2[nH]cnc3ccsc23)s1 Homo sapiens CHEMBL972596 single protein format
CHEMBL3666257 OBDepict H 2 N N N N CH 3 H 3 C O N N H O N N IC50 = 5.0 nM 444.5 CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(C4CC4)n3)c2)c2cnc(N)nc21 Homo sapiens CHEMBL4681385 cell-based format
CHEMBL2010872 OBDepict CH 3 H 3 C N N H N H N N O N N CH 3 IC50 = 5.0 nM 477.57 CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 Homo sapiens CHEMBL2016120 single protein format
CHEMBL3673442 OBDepict CH 3 O O N N N O CH 3 N N HN IC50 = 5.0 nM 524.63 COc1ccc(COc2ccc(Cn3cnc4cc(-c5cnn(C6CCNCC6)c5)ccc43)cc2OC)cn1 Homo sapiens CHEMBL3705888 single protein format
CHEMBL4783042 OBDepict H N H CH 3 F N F N N HN N O H 3 C H 3 C H 3 C CH 3 IC50 = 5.5 nM 416.48 CC(C)N(C(=O)Nc1cnn2ccc(N[C@H](C)c3cc(F)ccc3F)nc12)C(C)C Homo sapiens CHEMBL4678167 single protein format
CHEMBL3673440 OBDepict H 3 C O O O H 3 C N NH 2 N N P O CH 3 CH 3 IC50 = 6.0 nM 542.58 COc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5ccc(P(C)(C)=O)nc5)ccc43)cc2OC)cc1 Homo sapiens CHEMBL3705888 single protein format
CHEMBL4215846 OBDepict CH 3 N N O O H 2 N N O O F F F IC50 = 6.1 nM 502.49 Cn1cnc(-c2ccc(OC3CCN(C(=O)Cc4ccc(OC(F)(F)F)cc4)CC3)c(C(N)=O)c2)c1 Homo sapiens CHEMBL4195800 cell-based format
CHEMBL4207042 OBDepict H 3 C N H O N O NH 2 H N F F O O F F F IC50 = 6.2 nM 474.39 CNC(=O)c1cnc(N)c(O[C@H]2CN(C(=O)Cc3ccc(OC(F)(F)F)cc3)CC2(F)F)c1 Homo sapiens CHEMBL4195800 cell-based format
CHEMBL4208510 OBDepict O N O O N F F F O NH 2 N N CH 3 IC50 = 6.6 nM 503.48 Cn1cc(-c2ccc(OC3CCN(C(=O)Cc4ccc(OC(F)(F)F)cc4)CC3)c(C(N)=O)n2)cn1 Homo sapiens CHEMBL4195800 cell-based format
CHEMBL3955023 OBDepict O N H N N N F F F O N N H 3 C CH 3 IC50 = 7.0 nM 456.43 CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(C(F)(F)F)n3)c2)c2cnccc21 Homo sapiens CHEMBL4681385 cell-based format
CHEMBL3582432 OBDepict O N H O N N N N H F IC50 = 7.0 nM 445.5 O=C(Nc1ccc(-c2cnc3ccc(NCc4cccc(F)c4)nn23)cc1)C1CCOCC1 Homo sapiens CHEMBL3582855 cell-based format
CHEMBL2037211 OBDepict CH 3 N N HN O F F F N H N H O N H IC50 = 7.0 nM 586.62 CN1CCN(c2cc(C(=O)Nc3cccc(Nc4ccc5c(c4)NC(=O)/C5=Cc4ccc[nH]4)c3)cc(C(F)(F)F)c2)CC1 Homo sapiens CHEMBL2038861 single protein format
CHEMBL3982112 OBDepict O NH N N N O N N H 3 C CH 3 F IC50 = 7.0 nM 446.49 CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(C4CC4)n3)c2)c2cncc(F)c21 Homo sapiens CHEMBL4681385 cell-based format
CHEMBL4777099 OBDepict F O F N N H N IC50 = 7.2 nM 363.37 Fc1cc(F)cc(OCc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1 Homo sapiens CHEMBL4772613 single protein format
CHEMBL104279 OBDepict O N H N S H 3 C O O H 2 N IC50 = 7.62 nM 353.4 Cn1cc(/C=C2C(=O)Nc3ccc(S(N)(=O)=O)cc32)c2ccccc21 Homo sapiens CHEMBL4765714 single protein format
CHEMBL4281823 OBDepict CH 3 N N N NH 2 N O O F F F IC50 = 8.0 nM 481.48 CCn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc21 Homo sapiens CHEMBL4261432 single protein format
CHEMBL4779607 OBDepict F F N CH 3 N N H N IC50 = 8.0 nM 376.41 CN(Cc1cc(F)cc(F)c1)c1ccc2[nH]nc(/C=C/c3ccccn3)c2c1 Homo sapiens CHEMBL4772613 single protein format
CHEMBL4794903 OBDepict N N H O N O N H 2 N N N CH 3 H 3 C IC50 = 8.0 nM 439.48 CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C#N)cc3)c2)c2c(N)ncnc21 Homo sapiens CHEMBL4681385 cell-based format
CHEMBL4785469 OBDepict F F NH N N H N IC50 = 8.3 nM 362.38 Fc1cc(F)cc(CNc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1 Homo sapiens CHEMBL4772613 single protein format
CHEMBL4800162 OBDepict F F N N H N IC50 = 8.5 nM 361.4 Fc1cc(F)cc(CCc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1 Homo sapiens CHEMBL4772613 single protein format