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P49759 | CLK1_HUMAN | Dual specificity protein kinase CLK1 (CLK1)

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 Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL2392364 OBDepict Cl Cl NH N N O O IC50 = 2.0 nM 374.23 Clc1cc(Cl)cc(CNc2nccc(-c3ccc4c(c3)OCO4)n2)c1 Homo sapiens CHEMBL2394344 single protein format
CHEMBL4083249 OBDepict F N CH 3 H N N N N O IC50 = 2.0 nM 409.42 C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(-c4ccc5ocnc5c4)cc3c21 Homo sapiens CHEMBL4014111 cell-based format
CHEMBL4853178 OBDepict CH 3 O N H O N N N IC50 = 4.0 nM 408.46 COc1ccc(CNC(=O)c2cnc3ccc(-c4ccc5ncccc5c4)cn23)cc1 Homo sapiens CHEMBL4815931 single protein format
CHEMBL4089159 OBDepict CH 3 O O O NH O Cl N H N IC50 = 5.0 nM 395.8 COC(=O)C1=C(Nc2ccccc2Cl)O/C(=Cc2c[nH]c3ncccc23)C1=O Homo sapiens CHEMBL4011948 single protein format
CHEMBL4861035 OBDepict CH 3 O N H N H O N N N IC50 = 5.0 nM 409.45 COc1ccc(NNC(=O)c2cnc3ccc(-c4ccc5ncccc5c4)cn23)cc1 Homo sapiens CHEMBL4815931 single protein format
CHEMBL4853617 OBDepict H 3 C O N H O N N N N CH 3 IC50 = 6.0 nM 361.41 COc1ccc(CNC(=O)c2cnc3ccc(-c4cnn(C)c4)cn23)cc1 Homo sapiens CHEMBL4815931 single protein format
CHEMBL4094600 OBDepict H 3 C N N N N N CH 3 H IC50 = 6.0 nM 365.44 Cc1cc(-c2ccc3ncc4nnn([C@@H](C)c5ccccc5)c4c3c2)ccn1 Homo sapiens CHEMBL4014111 cell-based format
CHEMBL4878376 OBDepict O N H N N H 3 C H N IC50 = 6.0 nM 392.46 C[C@@H](NC(=O)c1cnc2ccc(-c3ccc4ncccc4c3)cn12)c1ccccc1 Homo sapiens CHEMBL4815931 single protein format
CHEMBL4878682 OBDepict CH 3 O N H H 3 C H O N N N IC50 = 6.0 nM 422.49 COc1ccc([C@@H](C)NC(=O)c2cnc3ccc(-c4ccc5ncccc5c4)cn23)cc1 Homo sapiens CHEMBL4815931 single protein format
CHEMBL4082113 OBDepict CH 3 O S N O H 3 C F IC50 = 6.9 nM 329.4 COc1ccc2sc(C(=O)N(C)Cc3cccc(F)c3)cc2c1 Homo sapiens CHEMBL4016846 assay format
CHEMBL4096379 OBDepict F N N N N N CH 3 IC50 = 7.0 nM 369.4 Cc1cc(-c2ccc3ncc4nnn(Cc5ccc(F)cc5)c4c3c2)ccn1 Homo sapiens CHEMBL4014111 cell-based format
CHEMBL4871915 OBDepict CH 3 O N H O N N N N CH 3 IC50 = 7.0 nM 347.38 COc1ccc(NC(=O)c2cnc3ccc(-c4cnn(C)c4)cn23)cc1 Homo sapiens CHEMBL4815931 single protein format
CHEMBL4876285 OBDepict H 3 C O CH 3 N H O N N N N H 3 C IC50 = 8.0 nM 389.46 CC(C)Oc1ccc(CNC(=O)c2cnc3ccc(-c4cnn(C)c4)cn23)cc1 Homo sapiens CHEMBL4815931 single protein format
CHEMBL4861593 OBDepict CH 3 O N H H 3 C H O N N N N H 3 C IC50 = 8.0 nM 375.43 COc1ccc([C@@H](C)NC(=O)c2cnc3ccc(-c4cnn(C)c4)cn23)cc1 Homo sapiens CHEMBL4815931 single protein format
CHEMBL4754195 OBDepict CH 3 N N N O N IC50 = 8.0 nM 352.4 Cn1cc(-c2ccc3occ(-c4cccc(-c5ccncc5)c4)c3n2)cn1 Homo sapiens CHEMBL4728302 single protein format
CHEMBL1898197 OBDepict Cl Cl NH N N O O IC50 = 8.0 nM 374.23 Clc1ccc(CNc2nccc(-c3ccc4c(c3)OCO4)n2)cc1Cl Homo sapiens CHEMBL2394344 single protein format
CHEMBL261720 OBDepict F N H F N S N H 2 N N N H S O O NH 2 IC50 = 8.9 nM 425.45 Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=S)Nc1c(F)cccc1F Homo sapiens CHEMBL4003366 assay format
CHEMBL4861868 OBDepict Cl N H H 3 C H O N N N N CH 3 IC50 = 11.0 nM 379.85 C[C@@H](NC(=O)c1cnc2ccc(-c3cnn(C)c3)cn12)c1ccc(Cl)cc1 Homo sapiens CHEMBL4815931 single protein format
CHEMBL4783398 OBDepict CH 3 + N N O _ O N N O N N NH Cl IC50 = 11.0 nM 487.91 Cc1ccc(-n2cc(COc3cccc4cnc(Nc5cccc(Cl)c5)nc34)nn2)c([N+](=O)[O-])c1 Homo sapiens CHEMBL4689199 single protein format
CHEMBL3894571 OBDepict CH 3 O F N H N N S N O NH CH 3 IC50 = 11.0 nM 383.41 COC(=N)c1nc2ccc3ncnc(Nc4ccc(OC)cc4F)c3c2s1 Homo sapiens CHEMBL4719516 single protein format
CHEMBL1591577 OBDepict CH 3 N N S N O O IC50 = 11.0 nM 375.45 CN(Cc1cccs1)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 Homo sapiens CHEMBL1772034 single protein format
CHEMBL4847017 OBDepict CH 3 O N H O N N N N H 3 C IC50 = 11.0 nM 361.41 COc1cccc(CNC(=O)c2cnc3ccc(-c4cnn(C)c4)cn23)c1 Homo sapiens CHEMBL4815931 single protein format
CHEMBL1877990 OBDepict N N H N N O O IC50 = 11.0 nM 306.32 c1cncc(CNc2nccc(-c3ccc4c(c3)OCO4)n2)c1 Homo sapiens CHEMBL2394344 single protein format
CHEMBL4850174 OBDepict H 3 C N N N N N H O IC50 = 12.0 nM 331.38 Cn1cc(-c2ccc3ncc(C(=O)NCc4ccccc4)n3c2)cn1 Homo sapiens CHEMBL4815931 single protein format
CHEMBL4874981 OBDepict H 3 C O N H O N N N IC50 = 13.0 nM 358.4 COc1ccc(CNC(=O)c2cnc3ccc(-c4ccncc4)cn23)cc1 Homo sapiens CHEMBL4815931 single protein format
CHEMBL4640019 OBDepict OH N N N H N H O O IC50 = 13.0 nM 366.42 O=C(NCC1CCOCC1)c1n[nH]c2ccc(-c3cncc(CO)c3)cc12 Homo sapiens CHEMBL4615955 single protein format
CHEMBL2392365 OBDepict Br Br NH N N O O IC50 = 13.0 nM 463.13 Brc1cc(Br)cc(CNc2nccc(-c3ccc4c(c3)OCO4)n2)c1 Homo sapiens CHEMBL2394344 single protein format
CHEMBL4762964 OBDepict CH 3 N N N O N N H IC50 = 14.0 nM 341.37 Cn1cc(-c2ccc3occ(-c4cccc(-c5cc[nH]n5)c4)c3n2)cn1 Homo sapiens CHEMBL4739015 single protein format
CHEMBL1515144 OBDepict H 3 C N N S N O O IC50 = 14.0 nM 389.48 CCN(Cc1cccs1)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 Homo sapiens CHEMBL1772034 single protein format
CHEMBL4878429 OBDepict Cl N H O N N N N H 3 C IC50 = 14.0 nM 365.82 Cn1cc(-c2ccc3ncc(C(=O)NCc4ccc(Cl)cc4)n3c2)cn1 Homo sapiens CHEMBL4815931 single protein format
CHEMBL4877125 OBDepict H 3 C N N N N N H O H 3 C H IC50 = 14.0 nM 345.41 C[C@@H](NC(=O)c1cnc2ccc(-c3cnn(C)c3)cn12)c1ccccc1 Homo sapiens CHEMBL4815931 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 = 14.2 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL4328373 single protein format
CHEMBL4284240 OBDepict CH 3 O N CH 3 N N H 2 N N NH 2 IC50 = 15.0 nM 386.46 COc1ccc2c(c1)CC(n1c(C)nc3ccc(-c4cc(N)nc(N)c4)nc31)C2 Homo sapiens CHEMBL4266667 assay format
CHEMBL4789951 OBDepict CH 3 N N N O N N H IC50 = 16.0 nM 341.37 Cn1cc(-c2ccc3occ(-c4cccc(-c5cn[nH]c5)c4)c3n2)cn1 Homo sapiens CHEMBL4739015 single protein format
CHEMBL1904905 OBDepict Cl Cl NH N N O O IC50 = 16.0 nM 388.25 Clc1ccc(CNc2nccc(-c3ccc4c(c3)OCCO4)n2)cc1Cl Homo sapiens CHEMBL2394344 single protein format
CHEMBL3753668 OBDepict N N H N N IC50 = 16.0 nM 246.27 N#C/C(=Cc1cccnc1)c1c[nH]c2ncccc12 Homo sapiens CHEMBL3875857 assay format
CHEMBL4078898 OBDepict NH 2 N H Cl N N N N H N H H 3 C CH 3 H NH 2 IC50 = 17.0 nM 414.95 CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc21 Homo sapiens CHEMBL4003768 single protein format
CHEMBL4072795 OBDepict F N CH 3 H N N N O O IC50 = 18.0 nM 412.42 C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(-c4ccc5c(c4)OCO5)cc3c21 Homo sapiens CHEMBL4014111 cell-based format
CHEMBL4797457 OBDepict H 3 C N N O N N N H 3 C IC50 = 18.0 nM 355.4 Cn1cc(-c2cccc(-c3coc4ccc(-c5cnn(C)c5)nc34)c2)cn1 Homo sapiens CHEMBL4739015 single protein format
CHEMBL4575900 OBDepict NH 2 N H 2 N N N N H 3 C O CH 3 H IC50 = 19.0 nM 374.45 Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1C[C@@H](C)Oc1ccccc1 Homo sapiens CHEMBL4415168 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 = 19.0 nM 456.98 CC(=O)Nc1cc(Cl)cc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)nc3c2ncn3C(C)C)c1 Homo sapiens CHEMBL4003768 single protein format
CHEMBL4090007 OBDepict CH 3 O O N CH 3 N H 2 N Cl Cl IC50 = 19.7 nM 338.19 CCOC(=O)c1c(/C(C#N)=C/N)c2ccc(Cl)c(Cl)c2n1C Homo sapiens CHEMBL4003366 assay format
CHEMBL4441878 OBDepict H 2 N N NH 2 N N N H 3 C CH 3 CH 3 IC50 = 20.0 nM 282.35 Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1C(C)C Homo sapiens CHEMBL4415168 single protein format
CHEMBL1236620 OBDepict CH 3 O O N CH 3 N H 2 N Cl Cl IC50 = 20.0 nM 338.19 CCOC(=O)c1c(/C(C#N)=CN)c2ccc(Cl)c(Cl)c2n1C Homo sapiens CHEMBL2394352 assay format
CHEMBL1474834 OBDepict H 3 C S N N CH 3 N N O O IC50 = 20.0 nM 390.47 Cc1nc(CN(C)c2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)cs1 Homo sapiens CHEMBL1772034 single protein format
CHEMBL4103030 OBDepict H 3 C O N H S N O O O H 3 C O H 3 C IC50 = 20.0 nM 438.51 CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3ccc4cc(OC)ccc4c3)o2)c1 Homo sapiens CHEMBL4003356 single protein format
CHEMBL3775754 OBDepict S N H N H O S N IC50 = 20.0 nM 261.33 O=C1NC(=S)N/C1=Cc1ccc2ncsc2c1 Homo sapiens CHEMBL3778247 assay format
CHEMBL4104657 OBDepict NH 2 N H Cl N N N N H N H H 3 C CH 3 H NH 2 IC50 = 21.0 nM 414.95 CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCCC[C@H]3N)nc21 Homo sapiens CHEMBL4003768 single protein format
CHEMBL4460561 OBDepict H 2 N N NH 2 N N N CH 3 IC50 = 21.0 nM 280.34 Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1C1CC1 Homo sapiens CHEMBL4415168 single protein format
CHEMBL1374544 OBDepict CH 3 N N O N O O IC50 = 22.0 nM 359.39 CN(Cc1ccco1)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 Homo sapiens CHEMBL1772034 single protein format
CHEMBL2386747 OBDepict CH 3 O HN N S N N H N Cl Cl IC50 = 22.8 nM 404.28 COC(=N)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4Cl)c3c2s1 Homo sapiens CHEMBL4719516 single protein format
CHEMBL3884821 OBDepict H 3 C O N H N O CH 3 N IC50 = 23.0 nM 303.32 COc1ccc2c(c1)[nH]c1c3c(OC)cncc3cc(C#N)c21 Homo sapiens CHEMBL3875857 assay format
CHEMBL3883660 OBDepict N N N H O CH 3 IC50 = 23.0 nM 273.3 COc1ccc2c(c1)[nH]c1c3ccncc3cc(C#N)c21 Homo sapiens CHEMBL3875857 assay format
CHEMBL4867596 OBDepict CH 3 N H O N N N N CH 3 IC50 = 23.0 nM 255.28 CNC(=O)c1cnc2ccc(-c3cnn(C)c3)cn12 Homo sapiens CHEMBL4815931 single protein format
CHEMBL1899256 OBDepict Br Br NH N N O O IC50 = 24.0 nM 463.13 Brc1ccc(CNc2nccc(-c3ccc4c(c3)OCO4)n2)cc1Br Homo sapiens CHEMBL2394344 single protein format
CHEMBL4067143 OBDepict H 3 C N N N N N CH 3 H IC50 = 24.0 nM 365.44 Cc1cc(-c2ccc3ncc4nnn([C@H](C)c5ccccc5)c4c3c2)ccn1 Homo sapiens CHEMBL4014111 cell-based 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 = 26.0 nM 456.98 CC(=O)Nc1cc(Cl)cc(Nc2nc(N[C@H]3CCCC[C@H]3N)nc3c2ncn3C(C)C)c1 Homo sapiens CHEMBL4003768 single protein format
CHEMBL1802410 OBDepict NH 2 N N I N H NH 2 IC50 = 26.0 nM 351.15 Nc1ncc(I)c(-c2c[nH]c3c(N)cccc23)n1 Homo sapiens CHEMBL1804240 single protein format
CHEMBL269538 OBDepict H 3 C O N H CH 3 N IC50 = 26.0 nM 212.25 COc1ccc2c(c1)[nH]c1c(C)nccc12 Homo sapiens CHEMBL2320044 assay format
CHEMBL1396483 OBDepict CH 3 N N N S N O O IC50 = 28.0 nM 376.44 CN(Cc1nccs1)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 Homo sapiens CHEMBL1772034 single protein format
CHEMBL4060440 OBDepict F N CH 3 H N N N N CH 3 IC50 = 29.0 nM 383.43 Cc1cc(-c2ccc3ncc4nnn([C@@H](C)c5ccc(F)cc5)c4c3c2)ccn1 Homo sapiens CHEMBL4014111 cell-based format
CHEMBL4093503 OBDepict F N CH 3 H N N N O IC50 = 30.0 nM 408.44 C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(-c4ccc5occc5c4)cc3c21 Homo sapiens CHEMBL4014111 cell-based format
CHEMBL4078755 OBDepict H 3 C O N H S N O O O H 3 C S IC50 = 30.0 nM 414.51 CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3cc4ccccc4s3)o2)c1 Homo sapiens CHEMBL4003356 single protein format
CHEMBL1802406 OBDepict NH 2 N N I N H IC50 = 30.0 nM 336.14 Nc1ncc(I)c(-c2c[nH]c3ccccc23)n1 Homo sapiens CHEMBL1804240 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 = 31.0 nM 400.92 CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCCNC3)nc21 Homo sapiens CHEMBL4003768 single protein format
CHEMBL4764610 OBDepict H 3 C O N F N O H H 3 C N H H 3 C CH 3 H 3 C N H 3 C H N IC50 = 31.0 nM 475.57 COc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1N1C[C@H](C)N(C)[C@H](C)C1 Homo sapiens CHEMBL4705521 single protein format
CHEMBL4279616 OBDepict CH 3 O HN N S N O N IC50 = 31.0 nM 300.34 COC(=N)c1nc2ccc3ncn(C4CC4)c(=O)c3c2s1 Homo sapiens CHEMBL4266669 assay format
CHEMBL1802966 OBDepict Br N H N I NH 2 N IC50 = 32.0 nM 415.03 Nc1ncc(I)c(-c2c[nH]c3cc(Br)ccc23)n1 Homo sapiens CHEMBL1804240 single protein format
CHEMBL3885335 OBDepict CH 3 O N H NH N O H 3 C IC50 = 34.0 nM 331.38 COc1ccc2[nH]cc(-c3cc4cnccc4cc3NC(C)=O)c2c1 Homo sapiens CHEMBL3875857 assay format
CHEMBL1868723 OBDepict F F F N H N N O O IC50 = 34.0 nM 359.31 FC(F)(F)c1cccc(Nc2nccc(-c3ccc4c(c3)OCO4)n2)c1 Homo sapiens CHEMBL2394344 single protein format
CHEMBL4104765 OBDepict CH 3 N H 3 C H N N N N CH 3 IC50 = 34.0 nM 379.47 Cc1ccc([C@@H](C)n2nnc3cnc4ccc(-c5ccnc(C)c5)cc4c32)cc1 Homo sapiens CHEMBL4014111 cell-based format
CHEMBL4088668 OBDepict F N CH 3 H N N N N CH 3 IC50 = 36.0 nM 383.43 Cc1cc(-c2ccc3ncc4nnn([C@H](C)c5ccc(F)cc5)c4c3c2)ccn1 Homo sapiens CHEMBL4014111 cell-based format
CHEMBL4066861 OBDepict Cl N H N N N N H N H CH 3 H 3 C H H 2 N IC50 = 38.0 nM 399.93 CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc21 Homo sapiens CHEMBL4003768 single protein format
CHEMBL1473127 OBDepict H 3 C O NH N N O O IC50 = 39.0 nM 359.39 Cc1ccc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)o1 Homo sapiens CHEMBL1772034 single protein format
CHEMBL4065167 OBDepict H 3 C O N H S N O O O H 3 C IC50 = 40.0 nM 384.46 CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(/C=C/c3ccccc3)o2)c1 Homo sapiens CHEMBL4003356 single protein format
CHEMBL1802405 OBDepict NH 2 N N I N H + N O _ O IC50 = 41.0 nM 381.13 Nc1ncc(I)c(-c2c[nH]c3c([N+](=O)[O-])cccc23)n1 Homo sapiens CHEMBL1804240 single protein format
CHEMBL3885431 OBDepict N N N H O CH 3 IC50 = 41.0 nM 273.3 COc1cccc2c1[nH]c1c3ccncc3cc(C#N)c21 Homo sapiens CHEMBL3875857 assay format
CHEMBL3823483 OBDepict NH 2 N N NH 2 N IC50 = 41.0 nM 211.23 Nc1ncc2cc3cnccc3c(N)c2n1 Homo sapiens CHEMBL3825018 assay format
CHEMBL1892019 OBDepict Cl Cl N H N N N N H IC50 = 41.0 nM 370.24 Clc1ccc(CNc2nccc(-c3ccc4[nH]ncc4c3)n2)cc1Cl Homo sapiens CHEMBL2394344 single protein format
CHEMBL1802967 OBDepict NH 2 N N I N H Br IC50 = 42.0 nM 415.03 Nc1ncc(I)c(-c2c[nH]c3c(Br)cccc23)n1 Homo sapiens CHEMBL1804240 single protein format
CHEMBL4868417 OBDepict CH 3 O N H H 3 C H O N N N IC50 = 44.0 nM 422.49 COc1ccc([C@H](C)NC(=O)c2cnc3ccc(-c4ccc5ncccc5c4)cn23)cc1 Homo sapiens CHEMBL4815931 single protein format
CHEMBL4085557 OBDepict H 3 C O S N O CH 3 IC50 = 45.0 nM 311.41 COc1ccc2sc(C(=O)N(C)Cc3ccccc3)cc2c1 Homo sapiens CHEMBL4016846 assay format
CHEMBL3885036 OBDepict H 3 C O N H N N O H N IC50 = 47.0 nM 316.32 COc1ccc2[nH]c3c(=O)[nH]c(-c4cccnc4)c(C#N)c3c2c1 Homo sapiens CHEMBL3875857 assay format
CHEMBL3091797 OBDepict Cl Cl N O N NH 2 N IC50 = 49.0 nM 331.16 Nc1ncnc2c1oc1cc(-c3ccc(Cl)cc3Cl)cnc12 Homo sapiens CHEMBL3095419 assay format
CHEMBL3335356 OBDepict OH S O OH H 3 C IC50 = 50.0 nM 284.34 Cc1ccc(C(=O)c2cc3cc(O)ccc3s2)cc1O Homo sapiens CHEMBL3382860 single protein format
CHEMBL3335358 OBDepict HO F O S OH IC50 = 50.0 nM 288.3 O=C(c1cc2cc(O)ccc2s1)c1cc(O)ccc1F Homo sapiens CHEMBL3382860 single protein format
CHEMBL4064608 OBDepict H N N N N H O H H N O IC50 = 50.0 nM 385.51 c1nc(N[C@H]2CC[C@H](N3CCOCC3)CC2)c2c(C3CCOCC3)c[nH]c2n1 Homo sapiens CHEMBL4027013 cell-based format
CHEMBL3883639 OBDepict N N N H O CH 3 IC50 = 51.0 nM 273.3 COc1ccc2[nH]c3c4ccncc4cc(C#N)c3c2c1 Homo sapiens CHEMBL3875857 assay format
CHEMBL4864799 OBDepict O N H N N H 3 C H N IC50 = 52.0 nM 392.46 C[C@H](NC(=O)c1cnc2ccc(-c3ccc4ncccc4c3)cn12)c1ccccc1 Homo sapiens CHEMBL4815931 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 = 56.0 nM 414.95 CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCCC[C@@H]3N)nc21 Homo sapiens CHEMBL4003768 single protein format
CHEMBL3884932 OBDepict H 3 C O N H N O N CH 3 IC50 = 56.0 nM 303.32 COc1ccc2[nH]c3c4c(OC)cncc4cc(C#N)c3c2c1 Homo sapiens CHEMBL3875857 assay format
CHEMBL4791451 OBDepict CH 3 N N N O NH IC50 = 59.0 nM 358.45 Cn1cc(-c2ccc3occ(-c4cccc(C5CCNCC5)c4)c3n2)cn1 Homo sapiens CHEMBL4739015 single protein format
CHEMBL567331 OBDepict S HN N N O O IC50 = 59.0 nM 361.43 c1csc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)c1 Homo sapiens CHEMBL1772034 single protein format
CHEMBL3335363 OBDepict HO S O CH 3 IC50 = 60.0 nM 192.24 CC(=O)c1cc2cc(O)ccc2s1 Homo sapiens CHEMBL3382860 single protein format
CHEMBL4069124 OBDepict CH 3 N N N N N CH 3 H 3 C IC50 = 64.0 nM 303.37 Cc1cc(-c2ccc3ncc4nnn(C(C)C)c4c3c2)ccn1 Homo sapiens CHEMBL4014111 cell-based format
CHEMBL1802963 OBDepict NH 2 N N N H Br IC50 = 65.0 nM 289.14 Nc1nccc(-c2c[nH]c3c(Br)cccc23)n1 Homo sapiens CHEMBL1804240 single protein format
CHEMBL4104122 OBDepict H 3 C N N N N N CH 3 IC50 = 66.0 nM 289.34 CCn1nnc2cnc3ccc(-c4ccnc(C)c4)cc3c21 Homo sapiens CHEMBL4014111 cell-based format
CHEMBL4091876 OBDepict NH 2 N H Cl N N N N H N H CH 3 H 3 C N H IC50 = 66.0 nM 400.92 CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@@H]3CCCNC3)nc21 Homo sapiens CHEMBL4003768 single protein format
CHEMBL1802404 OBDepict NH 2 N N I N H + N O _ O IC50 = 67.0 nM 381.13 Nc1ncc(I)c(-c2c[nH]c3cc([N+](=O)[O-])ccc23)n1 Homo sapiens CHEMBL1804240 single protein format
CHEMBL1885748 OBDepict Cl Cl N H N N O O IC50 = 68.0 nM 374.23 Clc1cc(Cl)cc(CNc2ncncc2-c2ccc3c(c2)OCO3)c1 Homo sapiens CHEMBL2394344 single protein format