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P49760 | CLK2_HUMAN | Dual specificity protein kinase CLK2 (CLK2)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

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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
CHEMBL4867931 OBDepict H 3 C O N H S N O O H 2 N O HN IC50 = -4300.0 nM 464.55 COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1 Homo sapiens CHEMBL4804371 cell-based format
CHEMBL4546504 OBDepict CH 3 N CH 3 O O N H CH 3 H N N F F F O N H H Cl H 3 C HO IC50 = 0.261 nM 555.99 C[C@@H](Oc1cc(C(=O)N(C)C)ccc1Nc1nc(O[C@H]2CC[C@@](C)(O)CC2)c2c(Cl)c[nH]c2n1)C(F)(F)F Homo sapiens CHEMBL4349111 assay format
CHEMBL4848224 OBDepict F O O N N H N Cl IC50 = 1.06 nM 395.82 O=C(OCCF)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12 Homo sapiens CHEMBL4808935 single protein format
CHEMBL4872225 OBDepict F F O O N N H N Cl IC50 = 1.54 nM 413.81 O=C(OCC(F)F)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12 Homo sapiens CHEMBL4808935 single protein format
CHEMBL4848072 OBDepict I O O N N H N Cl IC50 = 1.69 nM 503.73 O=C(OCCI)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12 Homo sapiens CHEMBL4808935 single protein format
CHEMBL4875513 OBDepict OH O O N N H N Cl IC50 = 2.38 nM 393.83 O=C(OCCO)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12 Homo sapiens CHEMBL4808935 single protein format
CHEMBL1230165 OBDepict Cl N H N N O HO IC50 = 3.8 nM 349.78 O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12 Homo sapiens CHEMBL4224407 single protein format
CHEMBL4064608 OBDepict H N N N N H O H H N O IC50 = 5.0 nM 385.51 c1nc(N[C@H]2CC[C@H](N3CCOCC3)CC2)c2c(C3CCOCC3)c[nH]c2n1 Homo sapiens CHEMBL4027014 cell-based format
CHEMBL4089159 OBDepict CH 3 O O O NH O Cl N H N IC50 = 5.3 nM 395.8 COC(=O)C1=C(Nc2ccccc2Cl)O/C(=Cc2c[nH]c3ncccc23)C1=O Homo sapiens CHEMBL4011949 single protein format
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 5.52 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL4328374 single protein format
CHEMBL4078898 OBDepict NH 2 N H Cl N N N N H N H H 3 C CH 3 H NH 2 IC50 = 6.0 nM 414.95 CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc21 Homo sapiens CHEMBL4003769 single protein format
CHEMBL4094492 OBDepict H 3 C NH O N H Cl N N N N H N H H 3 C CH 3 H H 2 N IC50 = 7.0 nM 456.98 CC(=O)Nc1cc(Cl)cc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)nc3c2ncn3C(C)C)c1 Homo sapiens CHEMBL4003769 single protein format
CHEMBL4875815 OBDepict CH 3 O O N H O N N H N Cl IC50 = 9.7 nM 434.88 COC(=O)CCNC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12 Homo sapiens CHEMBL4808935 single protein format
CHEMBL4569508 OBDepict O N H S F F F N N N O N IC50 < 10.0 nM 529.59 O=C(NCC(F)(F)F)c1cc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)cs1 Homo sapiens CHEMBL4479709 assay format
CHEMBL4550702 OBDepict CH 3 N N N N N S NH O F F F IC50 < 10.0 nM 406.39 Cn1cc(-c2cnc3c(-c4csc(C(=O)NCC(F)(F)F)c4)cnn3c2)cn1 Homo sapiens CHEMBL4479709 assay format
CHEMBL4066861 OBDepict Cl N H N N N N H N H CH 3 H 3 C H H 2 N IC50 = 11.0 nM 399.93 CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc21 Homo sapiens CHEMBL4003769 single protein format
CHEMBL4082309 OBDepict NH 2 N H Cl N N N N H N H H 3 C CH 3 H NH 2 IC50 = 14.0 nM 414.95 CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCCC[C@@H]3N)nc21 Homo sapiens CHEMBL4003769 single protein format
CHEMBL4568087 OBDepict H 3 C N N N N N S N H O H H H 2 N IC50 = 14.0 nM 421.53 Cn1cc(-c2cnc3c(-c4csc(C(=O)N[C@@H]5CCCC[C@@H]5N)c4)cnn3c2)cn1 Homo sapiens CHEMBL4479709 assay format
CHEMBL4797457 OBDepict H 3 C N N O N N N H 3 C IC50 = 16.0 nM 355.4 Cn1cc(-c2cccc(-c3coc4ccc(-c5cnn(C)c5)nc34)c2)cn1 Homo sapiens CHEMBL4739016 single protein format
CHEMBL4762964 OBDepict CH 3 N N N O N N H IC50 = 16.0 nM 341.37 Cn1cc(-c2ccc3occ(-c4cccc(-c5cc[nH]n5)c4)c3n2)cn1 Homo sapiens CHEMBL4739016 single protein format
CHEMBL4088144 OBDepict Cl N H N N N N H N H CH 3 H 3 C H H 2 N IC50 = 16.0 nM 399.93 CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CCCC[C@@H]3N)nc21 Homo sapiens CHEMBL4003769 single protein format
CHEMBL4067013 OBDepict H 3 C NH O N H Cl N N N N H N H H 3 C CH 3 H H 2 N IC50 = 17.0 nM 456.98 CC(=O)Nc1cc(Cl)cc(Nc2nc(N[C@H]3CCCC[C@H]3N)nc3c2ncn3C(C)C)c1 Homo sapiens CHEMBL4003769 single protein format
CHEMBL4878998 OBDepict NH 2 N H O N N H N Cl IC50 = 19.64 nM 391.86 NCCNC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12 Homo sapiens CHEMBL4808935 single protein format
CHEMBL1898197 OBDepict Cl Cl NH N N O O IC50 = 20.0 nM 374.23 Clc1ccc(CNc2nccc(-c3ccc4c(c3)OCO4)n2)cc1Cl Homo sapiens CHEMBL2394345 single protein format
CHEMBL4754195 OBDepict CH 3 N N N O N IC50 = 20.0 nM 352.4 Cn1cc(-c2ccc3occ(-c4cccc(-c5ccncc5)c4)c3n2)cn1 Homo sapiens CHEMBL4728303 single protein format
CHEMBL4862003 OBDepict Cl N H N N N H O N O IC50 = 21.9 nM 461.95 O=C(NCCN1CCOCC1)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12 Homo sapiens CHEMBL4808935 single protein format
CHEMBL2392364 OBDepict Cl Cl NH N N O O IC50 = 23.0 nM 374.23 Clc1cc(Cl)cc(CNc2nccc(-c3ccc4c(c3)OCO4)n2)c1 Homo sapiens CHEMBL2394345 single protein format
CHEMBL4857079 OBDepict Br N H O N N H N Cl IC50 = 24.69 nM 455.74 O=C(NCCBr)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12 Homo sapiens CHEMBL4808935 single protein format
CHEMBL4750420 OBDepict H N N N O IC50 = 25.0 nM 311.34 c1ccc2cc(-c3coc4ccc(-c5cn[nH]c5)nc34)ccc2c1 Homo sapiens CHEMBL4739016 single protein format
CHEMBL4104657 OBDepict NH 2 N H Cl N N N N H N H H 3 C CH 3 H NH 2 IC50 = 26.0 nM 414.95 CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCCC[C@H]3N)nc21 Homo sapiens CHEMBL4003769 single protein format
CHEMBL4073318 OBDepict Cl N H N N N N H N H CH 3 H 3 C H H 2 N IC50 = 26.0 nM 399.93 CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CCCC[C@H]3N)nc21 Homo sapiens CHEMBL4003769 single protein format
CHEMBL4064123 OBDepict NH 2 N H Cl N N N N H N H CH 3 H 3 C N H IC50 = 26.0 nM 400.92 CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCCNC3)nc21 Homo sapiens CHEMBL4003769 single protein format
CHEMBL4783398 OBDepict CH 3 + N N O _ O N N O N N NH Cl IC50 = 27.0 nM 487.91 Cc1ccc(-n2cc(COc3cccc4cnc(Nc5cccc(Cl)c5)nc34)nn2)c([N+](=O)[O-])c1 Homo sapiens CHEMBL4689200 single protein format
CHEMBL4102101 OBDepict NH 2 N H Cl N N N N H N H CH 3 H 3 C N H IC50 = 28.0 nM 386.89 CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCNC3)nc21 Homo sapiens CHEMBL4003769 single protein format
CHEMBL1899256 OBDepict Br Br NH N N O O IC50 = 30.0 nM 463.13 Brc1ccc(CNc2nccc(-c3ccc4c(c3)OCO4)n2)cc1Br Homo sapiens CHEMBL2394345 single protein format
CHEMBL4083249 OBDepict F N CH 3 H N N N N O IC50 = 31.0 nM 409.42 C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(-c4ccc5ocnc5c4)cc3c21 Homo sapiens CHEMBL4014114 cell-based format
CHEMBL3894571 OBDepict CH 3 O F N H N N S N O NH CH 3 IC50 = 32.5 nM 383.41 COC(=N)c1nc2ccc3ncnc(Nc4ccc(OC)cc4F)c3c2s1 Homo sapiens CHEMBL4719517 single protein format
CHEMBL4860630 OBDepict OH N H O N N H N Cl IC50 = 32.69 nM 392.85 O=C(NCCO)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12 Homo sapiens CHEMBL4808935 single protein format
CHEMBL4091876 OBDepict NH 2 N H Cl N N N N H N H CH 3 H 3 C N H IC50 = 34.0 nM 400.92 CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@@H]3CCCNC3)nc21 Homo sapiens CHEMBL4003769 single protein format
CHEMBL4789951 OBDepict CH 3 N N N O N N H IC50 = 37.0 nM 341.37 Cn1cc(-c2ccc3occ(-c4cccc(-c5cn[nH]c5)c4)c3n2)cn1 Homo sapiens CHEMBL4739016 single protein format
CHEMBL4290222 OBDepict H 3 C N O N H H N H N N N O IC50 = 39.0 nM 426.57 CC(=O)N1CCN([C@H]2CC[C@H](Nc3ncnn4ccc(C5CCOCC5)c34)CC2)CC1 Homo sapiens CHEMBL4266500 assay format
CHEMBL4743939 OBDepict CH 3 O O N N N H IC50 = 39.0 nM 291.31 COc1ccc(-c2coc3ccc(-c4cn[nH]c4)nc23)cc1 Homo sapiens CHEMBL4739016 single protein format
CHEMBL1904905 OBDepict Cl Cl NH N N O O IC50 = 39.0 nM 388.25 Clc1ccc(CNc2nccc(-c3ccc4c(c3)OCCO4)n2)cc1Cl Homo sapiens CHEMBL2394345 single protein format
CHEMBL156277 OBDepict CH 3 O O N H NH O Cl IC50 = 39.0 nM 328.76 COc1ccccc1C1=C(Nc2cccc(Cl)c2)C(=O)NC1=O Homo sapiens CHEMBL4839431 single protein format
CHEMBL4743730 OBDepict H N N N O CH 2 H 3 C IC50 = 40.0 nM 301.35 C=C(C)c1ccc(-c2coc3ccc(-c4cn[nH]c4)nc23)cc1 Homo sapiens CHEMBL4739016 single protein format
CHEMBL2392365 OBDepict Br Br NH N N O O IC50 = 41.0 nM 463.13 Brc1cc(Br)cc(CNc2nccc(-c3ccc4c(c3)OCO4)n2)c1 Homo sapiens CHEMBL2394345 single protein format
CHEMBL3885431 OBDepict N N N H O CH 3 IC50 = 44.0 nM 273.3 COc1cccc2c1[nH]c1c3ccncc3cc(C#N)c21 Homo sapiens CHEMBL3875859 assay format
CHEMBL4853178 OBDepict CH 3 O N H O N N N IC50 = 50.0 nM 408.46 COc1ccc(CNC(=O)c2cnc3ccc(-c4ccc5ncccc5c4)cn23)cc1 Homo sapiens CHEMBL4815943 single protein format
CHEMBL1868723 OBDepict F F F N H N N O O IC50 = 52.0 nM 359.31 FC(F)(F)c1cccc(Nc2nccc(-c3ccc4c(c3)OCO4)n2)c1 Homo sapiens CHEMBL2394345 single protein format
CHEMBL1877990 OBDepict N N H N N O O IC50 = 60.0 nM 306.32 c1cncc(CNc2nccc(-c3ccc4c(c3)OCO4)n2)c1 Homo sapiens CHEMBL2394345 single protein format
CHEMBL4875188 OBDepict H 3 C O O N H HN O N IC50 = 70.0 nM 319.32 COc1ccccc1C1=C(Nc2cccc(C#N)c2)C(=O)NC1=O Homo sapiens CHEMBL4839431 single protein format
CHEMBL4790030 OBDepict H N N N O IC50 = 72.0 nM 261.28 c1ccc(-c2coc3ccc(-c4cn[nH]c4)nc23)cc1 Homo sapiens CHEMBL4739016 single protein format
CHEMBL3883660 OBDepict N N N H O CH 3 IC50 = 80.0 nM 273.3 COc1ccc2c(c1)[nH]c1c3ccncc3cc(C#N)c21 Homo sapiens CHEMBL3875859 assay format
CHEMBL2386747 OBDepict CH 3 O HN N S N N H N Cl Cl IC50 = 88.8 nM 404.28 COC(=N)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4Cl)c3c2s1 Homo sapiens CHEMBL4719517 single protein format
CHEMBL4791451 OBDepict CH 3 N N N O NH IC50 = 90.0 nM 358.45 Cn1cc(-c2ccc3occ(-c4cccc(C5CCNCC5)c4)c3n2)cn1 Homo sapiens CHEMBL4739016 single protein format
CHEMBL4084116 OBDepict NH 2 N H Cl N N N N H N H CH 3 H 3 C N H IC50 = 92.0 nM 386.89 CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@@H]3CCNC3)nc21 Homo sapiens CHEMBL4003769 single protein format
CHEMBL3883639 OBDepict N N N H O CH 3 IC50 = 110.0 nM 273.3 COc1ccc2[nH]c3c4ccncc4cc(C#N)c3c2c1 Homo sapiens CHEMBL3875859 assay format
CHEMBL4552628 OBDepict Cl N N N H 3 C S N H O H H H 2 N F F IC50 = 110.0 nM 425.89 Cc1sc(C(=O)N[C@@H]2[C@H](N)CCCC2(F)F)cc1-c1cnn2cc(Cl)cnc12 Homo sapiens CHEMBL4479709 assay format
CHEMBL367625 OBDepict H 3 C N N N N NH N H H H NH 2 Cl IC50 = 111.0 nM 385.9 CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc21 Homo sapiens CHEMBL4003769 single protein format
CHEMBL1933288 OBDepict H 3 C N H 3 C N N H N O N H H 3 C O NH IC50 = 112.0 nM 458.57 C[C@@H]1CCNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4CCCN(C)C)cc3n21 Homo sapiens CHEMBL1937081 single protein format
CHEMBL2071342 OBDepict CH 3 N N N N NH N H O N S H 3 C F S O O CH 3 IC50 = 117.0 nM 453.53 CCn1nnc(CCNC(=O)Nc2nc(C)c(-c3ccc(S(C)(=O)=O)c(F)c3)s2)n1 Homo sapiens CHEMBL2073011 single protein format
CHEMBL4104505 OBDepict Cl N H N N N N H N H CH 3 H 3 C H H 2 N IC50 = 120.0 nM 399.93 CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@H]3N)nc21 Homo sapiens CHEMBL4003769 single protein format
CHEMBL3884821 OBDepict H 3 C O N H N O CH 3 N IC50 = 150.0 nM 303.32 COc1ccc2c(c1)[nH]c1c3c(OC)cncc3cc(C#N)c21 Homo sapiens CHEMBL3875859 assay format
CHEMBL4740998 OBDepict H N N N O CH 3 IC50 = 155.0 nM 315.38 CC1(c2ccc(-c3coc4ccc(-c5cn[nH]c5)nc34)cc2)CC1 Homo sapiens CHEMBL4739016 single protein format
CHEMBL4100324 OBDepict NH 2 N H Cl N N N N H N H H 3 C CH 3 H NH 2 IC50 = 163.0 nM 414.95 CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@@H]3CCCC[C@H]3N)nc21 Homo sapiens CHEMBL4003769 single protein format
CHEMBL1591577 OBDepict CH 3 N N S N O O IC50 = 173.0 nM 375.45 CN(Cc1cccs1)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 Homo sapiens CHEMBL1772035 single protein format
CHEMBL4278882 OBDepict H 3 C N O N H H N H N N N CH 3 H 3 C IC50 = 175.0 nM 384.53 CC(=O)N1CCN([C@H]2CC[C@H](Nc3ncnn4ccc(C(C)C)c34)CC2)CC1 Homo sapiens CHEMBL4266500 assay format
CHEMBL4790791 OBDepict CH 3 N N O N N N H IC50 = 176.0 nM 265.28 Cn1cc(-c2coc3ccc(-c4cn[nH]c4)nc23)cn1 Homo sapiens CHEMBL4739016 single protein format
CHEMBL1474834 OBDepict H 3 C S N N CH 3 N N O O IC50 = 186.0 nM 390.47 Cc1nc(CN(C)c2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)cs1 Homo sapiens CHEMBL1772035 single protein format
CHEMBL4080283 OBDepict H 3 C N N N N NH N H H H NH 2 Cl IC50 = 190.0 nM 385.9 CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CCCC[C@@H]3N)nc21 Homo sapiens CHEMBL4003769 single protein format
CHEMBL1892019 OBDepict Cl Cl N H N N N N H IC50 = 190.0 nM 370.24 Clc1ccc(CNc2nccc(-c3ccc4[nH]ncc4c3)n2)cc1Cl Homo sapiens CHEMBL2394345 single protein format
CHEMBL1704879 OBDepict H 3 C N S N CH 3 N N O O IC50 = 195.0 nM 390.47 Cc1csc(CN(C)c2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)n1 Homo sapiens CHEMBL1772035 single protein format
CHEMBL2006765 OBDepict CH 3 HN O N H N N HN N H F F F IC50 = 211.0 nM 392.39 CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1 Homo sapiens CHEMBL4007698 single protein format
CHEMBL1885748 OBDepict Cl Cl N H N N O O IC50 = 231.0 nM 374.23 Clc1cc(Cl)cc(CNc2ncncc2-c2ccc3c(c2)OCO3)c1 Homo sapiens CHEMBL2394345 single protein format
CHEMBL1898211 OBDepict Cl Cl N H N N N N H IC50 = 238.0 nM 370.24 Clc1ccc(CNc2ccnc(-c3ccc4[nH]ncc4c3)n2)cc1Cl Homo sapiens CHEMBL2394345 single protein format
CHEMBL1885536 OBDepict N N H N O O O O IC50 = 259.0 nM 335.32 c1cc(-c2ccc3c(c2)OCO3)nc(Nc2ccc3c(c2)OCO3)n1 Homo sapiens CHEMBL2394345 single protein format
CHEMBL4868568 OBDepict H 3 C O O NH O O N N N H N F F F IC50 = 270.0 nM 465.43 CCOC(=O)C1=C(NN2CCN(CC(F)(F)F)CC2)O/C(=Cc2c[nH]c3ncccc23)C1=O Homo sapiens CHEMBL4831330 single protein format
CHEMBL1725513 OBDepict O HN N N O O IC50 = 301.0 nM 345.36 c1coc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)c1 Homo sapiens CHEMBL1772035 single protein format
CHEMBL2392368 OBDepict Br NH F F F N N O O IC50 = 345.0 nM 438.2 FC(F)(F)c1cc(Br)cc(Nc2nccc(-c3ccc4c(c3)OCO4)n2)c1 Homo sapiens CHEMBL2394345 single protein format
CHEMBL4455718 OBDepict H 3 C O N O N H H N H N N N IC50 = 360.0 nM 394.48 COC(=O)N1CCN([C@H]2CC[C@H](Nc3ncnc4ccc(C#N)cc34)CC2)CC1 Homo sapiens CHEMBL4323541 assay format
CHEMBL3884015 OBDepict N N N N H IC50 = 400.0 nM 244.26 N#Cc1cc2cnccc2c2[nH]c3ncccc3c12 Homo sapiens CHEMBL3875859 assay format
CHEMBL2392360 OBDepict CH 3 O N N N H Cl Cl IC50 = 409.0 nM 360.24 COc1ccc(-c2ccnc(NCc3ccc(Cl)c(Cl)c3)n2)cc1 Homo sapiens CHEMBL2394345 single protein format
CHEMBL1705549 OBDepict N S HN N N O O IC50 = 414.0 nM 362.41 c1csc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)n1 Homo sapiens CHEMBL1772035 single protein format
CHEMBL2392367 OBDepict Cl Cl HN N N N H N IC50 = 429.0 nM 370.24 Clc1ccc(CNc2nccc(-c3ccc4cn[nH]c4c3)n2)cc1Cl Homo sapiens CHEMBL2394345 single protein format
CHEMBL1515144 OBDepict H 3 C N N S N O O IC50 = 447.0 nM 389.48 CCN(Cc1cccs1)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 Homo sapiens CHEMBL1772035 single protein format
CHEMBL1902528 OBDepict H N N N N HN N IC50 = 462.0 nM 302.34 c1cncc(CNc2nccc(-c3ccc4[nH]ncc4c3)n2)c1 Homo sapiens CHEMBL2394345 single protein format
CHEMBL1354134 OBDepict HN N N O O IC50 = 486.0 nM 347.42 c1nc(NCC2CCCC2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1 Homo sapiens CHEMBL1772035 single protein format
CHEMBL1532768 OBDepict H 3 C N N N N NH N H H H NH 2 Cl IC50 = 498.0 nM 385.9 CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@H]3N)nc21 Homo sapiens CHEMBL4003769 single protein format
CHEMBL4778370 OBDepict H N N N O IC50 = 529.0 nM 337.38 c1ccc(-c2ccc(-c3coc4ccc(-c5cn[nH]c5)nc34)cc2)cc1 Homo sapiens CHEMBL4739016 single protein format
CHEMBL4062218 OBDepict CH 3 N H O O N H CH 3 N N O N H O N H 3 C IC50 = 549.0 nM 512.57 CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(-c4ccc5nc(C)oc5c4)c[nH]c3n2)c(OC)c1 Homo sapiens CHEMBL4031772 cell-based format
CHEMBL1551169 OBDepict CH 3 CH 3 CH 3 N H N N O O IC50 = 584.0 nM 335.41 CC(C)(C)CNc1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 Homo sapiens CHEMBL1772035 single protein format
CHEMBL1396483 OBDepict CH 3 N N N S N O O IC50 = 589.0 nM 376.44 CN(Cc1nccs1)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 Homo sapiens CHEMBL1772035 single protein format
CHEMBL3883414 OBDepict N N N H F IC50 = 610.0 nM 261.26 N#Cc1cc2cnccc2c2[nH]c3ccc(F)cc3c12 Homo sapiens CHEMBL3875859 assay format
CHEMBL3885036 OBDepict H 3 C O N H N N O H N IC50 = 610.0 nM 316.32 COc1ccc2[nH]c3c(=O)[nH]c(-c4cccnc4)c(C#N)c3c2c1 Homo sapiens CHEMBL3875859 assay format
CHEMBL1473127 OBDepict H 3 C O NH N N O O IC50 = 651.0 nM 359.39 Cc1ccc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)o1 Homo sapiens CHEMBL1772035 single protein format
CHEMBL1884711 OBDepict H N N N N HN N IC50 = 665.0 nM 302.34 c1cncc(CNc2ccnc(-c3ccc4[nH]ncc4c3)n2)c1 Homo sapiens CHEMBL2394345 single protein format
CHEMBL4741919 OBDepict CH 3 N O N N N CH 3 IC50 = 667.0 nM 372.47 CN1CCC(c2cccc(-c3coc4ccc(-c5cnn(C)c5)nc34)c2)CC1 Homo sapiens CHEMBL4739016 single protein format
CHEMBL3297832 OBDepict CH 3 O OH N H O O OH H 3 C H 3 C IC50 = 680.0 nM 339.35 COc1c(O)ccc2c(=O)c3c(O)cc4c(c3[nH]c12)C=CC(C)(C)O4 Homo sapiens CHEMBL3299309 single protein format
CHEMBL1374544 OBDepict CH 3 N N O N O O IC50 = 692.0 nM 359.39 CN(Cc1ccco1)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 Homo sapiens CHEMBL1772035 single protein format
CHEMBL1357975 OBDepict N H N O N O O IC50 = 801.0 nM 359.39 c1coc(CCNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)c1 Homo sapiens CHEMBL1772035 single protein format