BDBM50218730 3-(3-methoxy-4-nitrophenyl)-8-(2-oxopyrrolidin-1-yl)-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one::CHEMBL413224

SMILES: COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)N2CCCC2=O)c1

InChI Key: InChIKey=PYUHDLKZSFHNLZ-UHFFFAOYSA-N

Data: 1 IC50  2 EC50

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 = 50218730   

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))	BDBM50218730 (3-(3-methoxy-4-nitrophenyl)-8-(2-oxopyrrolidin-1-y...) Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)N2CCCC2=O)c1 Show InChI InChI=1S/C24H22N4O3/c1-31-22-12-15(5-8-18(22)25)14-4-7-17-20(11-14)26-19-9-6-16(13-21(19)27-24(17)30)28-10-2-3-23(28)29/h4-9,11-13,26H,2-3,10,25H2,1H3,(H,27,30)	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	4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant Chk1				J Med Chem 50: 4162-76 (2007) Article DOI: 10.1021/jm070105d BindingDB Entry DOI: 10.7270/Q22J6BKS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50218730 (3-(3-methoxy-4-nitrophenyl)-8-(2-oxopyrrolidin-1-y...) Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)N2CCCC2=O)c1 Show InChI InChI=1S/C24H22N4O3/c1-31-22-12-15(5-8-18(22)25)14-4-7-17-20(11-14)26-19-9-6-16(13-21(19)27-24(17)30)28-10-2-3-23(28)29/h4-9,11-13,26H,2-3,10,25H2,1H3,(H,27,30)	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	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antiproliferative activity against HeLa cells by MTS assay				J Med Chem 50: 4162-76 (2007) Article DOI: 10.1021/jm070105d BindingDB Entry DOI: 10.7270/Q22J6BKS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50218730 (3-(3-methoxy-4-nitrophenyl)-8-(2-oxopyrrolidin-1-y...) Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)N2CCCC2=O)c1 Show InChI InChI=1S/C24H22N4O3/c1-31-22-12-15(5-8-18(22)25)14-4-7-17-20(11-14)26-19-9-6-16(13-21(19)27-24(17)30)28-10-2-3-23(28)29/h4-9,11-13,26H,2-3,10,25H2,1H3,(H,27,30)	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	n/a	n/a	4.95E+4	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antiproliferative activity against HeLa cells by MTS assay				J Med Chem 50: 4162-76 (2007) Article DOI: 10.1021/jm070105d BindingDB Entry DOI: 10.7270/Q22J6BKS
					More data for this Ligand-Target Pair