BDBM50374066 CHEMBL401776

SMILES: CN(C)CCCOc1cc2n(CCO)c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl

InChI Key: InChIKey=JAAWGUUOBQPIMA-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50374066   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50374066 (CHEMBL401776) Show SMILES CN(C)CCCOc1cc2n(CCO)c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl Show InChI InChI=1S/C27H26ClN3O5/c1-30(2)8-5-11-36-22-14-19-17(13-21(22)33)23-20(31(19)9-10-32)12-16(15-6-3-4-7-18(15)28)24-25(23)27(35)29-26(24)34/h3-4,6-7,12-14,32-33H,5,8-11H2,1-2H3,(H,29,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 18: 929-33 (2008) Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50374066 (CHEMBL401776) Show SMILES CN(C)CCCOc1cc2n(CCO)c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl Show InChI InChI=1S/C27H26ClN3O5/c1-30(2)8-5-11-36-22-14-19-17(13-21(22)33)23-20(31(19)9-10-32)12-16(15-6-3-4-7-18(15)28)24-25(23)27(35)29-26(24)34/h3-4,6-7,12-14,32-33H,5,8-11H2,1-2H3,(H,29,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human Wee1				Bioorg Med Chem Lett 18: 929-33 (2008) Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50374066 (CHEMBL401776) Show SMILES CN(C)CCCOc1cc2n(CCO)c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl Show InChI InChI=1S/C27H26ClN3O5/c1-30(2)8-5-11-36-22-14-19-17(13-21(22)33)23-20(31(19)9-10-32)12-16(15-6-3-4-7-18(15)28)24-25(23)27(35)29-26(24)34/h3-4,6-7,12-14,32-33H,5,8-11H2,1-2H3,(H,29,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human Cdc2 kinase PY15 phosphorylation in HT29 cells by Western blot				Bioorg Med Chem Lett 18: 929-33 (2008) Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3
					More data for this Ligand-Target Pair