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Q8TF76 | HASP_HUMAN | Serine/threonine-protein kinase haspin (HASPIN)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL4791276 OBDepict CH 3 N O NH 2 O H 3 C CH 3 N IC50 = 1.6 nM 271.32 CCn1c(C(N)=O)cc2c1-c1ccncc1OC2(C)C Homo sapiens CHEMBL4742450 cell-based format
CHEMBL4064608 OBDepict H N N N N H O H H N O IC50 = 4.0 nM 385.51 c1nc(N[C@H]2CC[C@H](N3CCOCC3)CC2)c2c(C3CCOCC3)c[nH]c2n1 Homo sapiens CHEMBL4027017 cell-based format
CHEMBL4278808 OBDepict OH F N N N H IC50 = 12.0 nM 333.37 Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c(F)c1 Homo sapiens CHEMBL4263654 single protein format
CHEMBL4642838 OBDepict OH O O N H N IC50 = 14.0 nM 278.27 O=C1/C(=C/c2c[nH]c3ncccc23)Oc2cc(O)ccc21 Homo sapiens CHEMBL4620608 assay format
CHEMBL1952329 OBDepict CH 3 N NH N N N O F F F IC50 = 34.0 nM 405.42 CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1 Homo sapiens CHEMBL2184774 single protein format
CHEMBL4290247 OBDepict O N H N F S N IC50 = 36.0 nM 389.46 O=C(Cc1ccc(F)cc1)Nc1cncc(-c2cc(-c3cccnc3)cs2)c1 Homo sapiens CHEMBL4263648 assay format
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 75.6 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL4328441 single protein format
CHEMBL4637707 OBDepict OH O N H N IC50 = 77.0 nM 290.32 O=C1/C(=C/c2c[nH]c3ncccc23)CCc2cc(O)ccc21 Homo sapiens CHEMBL4620608 assay format
CHEMBL2012574 OBDepict H 2 N N N O F F F CH 3 IC50 = 100.0 nM 337.35 COc1ccc2c3ccnc(C(F)(F)F)c3n(CCCCN)c2c1 Homo sapiens CHEMBL2014113 assay format
CHEMBL4744403 OBDepict H 3 C N O N H H N H N N N CH 3 H 3 C IC50 = 150.0 nM 384.53 CC(=O)N1CCN([C@H]2CC[C@@H](Nc3ncnn4ccc(C(C)C)c34)CC2)CC1 Homo sapiens CHEMBL4729450 single protein format
CHEMBL2012563 OBDepict H 2 N N CH 3 N OH IC50 = 160.0 nM 269.35 Cc1nccc2c3ccc(O)cc3n(CCCCN)c12 Homo sapiens CHEMBL2014113 assay format
CHEMBL2012559 OBDepict H 2 N N CH 3 N O CH 3 IC50 = 170.0 nM 283.38 COc1ccc2c3ccnc(C)c3n(CCCCN)c2c1 Homo sapiens CHEMBL2014113 assay format
CHEMBL2012562 OBDepict H 2 N N N O H 3 C CH 3 IC50 = 190.0 nM 297.4 CCc1nccc2c3ccc(OC)cc3n(CCCCN)c12 Homo sapiens CHEMBL2014113 assay format
CHEMBL3824068 OBDepict CH 3 N N N N O N HN IC50 = 190.0 nM 432.57 CN1CCN(c2ccc(-n3cc(-c4ccncc4OCC4CCNCC4)cn3)cc2)CC1 Homo sapiens CHEMBL3824979 assay format
CHEMBL2012575 OBDepict NH 2 N N OH F F F IC50 = 220.0 nM 323.32 NCCCCn1c2cc(O)ccc2c2ccnc(C(F)(F)F)c21 Homo sapiens CHEMBL2014113 assay format
CHEMBL2012569 OBDepict H 2 N N O CH 3 N CH 3 IC50 = 220.0 nM 283.37 COc1cccc2c3ccnc(C)c3n(CCCCN)c12 Homo sapiens CHEMBL2014113 assay format
CHEMBL3775393 OBDepict S N H S O S N IC50 = 255.0 nM 278.38 O=C1NC(=S)S/C1=Cc1ccc2ncsc2c1 Homo sapiens CHEMBL3778428 single protein format
CHEMBL3774448 OBDepict S N H S O N IC50 = 259.0 nM 272.35 O=C1NC(=S)S/C1=Cc1ccc2ncccc2c1 Homo sapiens CHEMBL3778428 single protein format
CHEMBL2012560 OBDepict NH 2 N N O CH 3 IC50 = 300.0 nM 269.35 COc1ccc2c3ccncc3n(CCCCN)c2c1 Homo sapiens CHEMBL2014113 assay format
CHEMBL2012572 OBDepict H 3 C NH N CH 3 N O H 3 C IC50 = 340.0 nM 297.4 CNCCCCn1c2cc(OC)ccc2c2ccnc(C)c21 Homo sapiens CHEMBL2014113 assay format
CHEMBL2012561 OBDepict H 2 N N N O CH 3 H 3 C H 3 C IC50 = 460.0 nM 311.43 COc1ccc2c3ccnc(C(C)C)c3n(CCCCN)c2c1 Homo sapiens CHEMBL2014113 assay format
CHEMBL2012558 OBDepict H 2 N N CH 3 N O CH 3 IC50 = 460.0 nM 269.35 COc1ccc2c3ccnc(C)c3n(CCCN)c2c1 Homo sapiens CHEMBL2014113 assay format
CHEMBL2012573 OBDepict CH 3 O N CH 3 N N H 3 C H 3 C IC50 = 470.0 nM 311.43 COc1ccc2c3ccnc(C)c3n(CCCCN(C)C)c2c1 Homo sapiens CHEMBL2014113 assay format
CHEMBL2012570 OBDepict H 2 N N CH 3 N O O IC50 = 500.0 nM 297.36 Cc1nccc2c3cc4c(cc3n(CCCCN)c12)OCO4 Homo sapiens CHEMBL2014113 assay format
CHEMBL2012564 OBDepict H 2 N N CH 3 N F IC50 = 580.0 nM 271.34 Cc1nccc2c3ccc(F)cc3n(CCCCN)c12 Homo sapiens CHEMBL2014113 assay format
CHEMBL269538 OBDepict H 3 C O N H CH 3 N IC50 = 590.0 nM 212.25 COc1ccc2c(c1)[nH]c1c(C)nccc12 Homo sapiens CHEMBL2014113 assay format
CHEMBL2012565 OBDepict NH 2 N H 3 C N HN S O O H 3 C IC50 = 690.0 nM 346.46 Cc1nccc2c3ccc(NS(C)(=O)=O)cc3n(CCCCN)c12 Homo sapiens CHEMBL2014113 assay format
CHEMBL486817 OBDepict O N H CH 3 N H IC50 = 770.0 nM 198.22 Cc1[nH]ccc2c1[nH]c1cc(=O)ccc12 Homo sapiens CHEMBL2014113 assay format
CHEMBL2012571 OBDepict H 2 N N CH 3 N Cl O H 3 C IC50 = 830.0 nM 317.82 COc1ccc2c3ccnc(C)c3n(CCCCN)c2c1Cl Homo sapiens CHEMBL2014113 assay format
CHEMBL4872886 OBDepict H 3 C CH 3 NH 2 H N H O O O F F N IC50 = 922.0 nM 339.34 CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2cnco2)c(OC(F)F)c1 Homo sapiens CHEMBL4829165 assay format