BDBM91966 Chk1_97

SMILES: COC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1cc(OC)ncc1C

InChI Key: InChIKey=GCKWSCXVGBMYDQ-UHFFFAOYSA-N

Data: 3 KI  1 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 4 hits for monomerid = 91966   

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
CHK1_Kinase (Homo sapiens (Human))	BDBM91966 (Chk1_97) Show SMILES COC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1cc(OC)ncc1C Show InChI InChI=1S/C23H21N3O4/c1-13-12-24-21(29-2)11-17(13)15-5-6-16-19(10-15)25-18-7-4-14(9-22(27)30-3)8-20(18)26-23(16)28/h4-8,10-12,25H,9H2,1-3H3,(H,26,28)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	D3R	7.79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description 33P-Radiometric_Method1				D3R 221: (2015) BindingDB Entry DOI: 10.7270/Q2WS8S4Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM91966 (Chk1_97) Show SMILES COC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1cc(OC)ncc1C Show InChI InChI=1S/C23H21N3O4/c1-13-12-24-21(29-2)11-17(13)15-5-6-16-19(10-15)25-18-7-4-14(9-22(27)30-3)8-20(18)26-23(16)28/h4-8,10-12,25H,9H2,1-3H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				J Med Chem 52: 3159-65 (2009) Article DOI: 10.1021/jm801444x BindingDB Entry DOI: 10.7270/Q2FF3TM8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM91966 (Chk1_97) Show SMILES COC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1cc(OC)ncc1C Show InChI InChI=1S/C23H21N3O4/c1-13-12-24-21(29-2)11-17(13)15-5-6-16-19(10-15)25-18-7-4-14(9-22(27)30-3)8-20(18)26-23(16)28/h4-8,10-12,25H,9H2,1-3H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSAR					Assay Description ChemBL affinity - Published Abbott papers				CSAR 1: (2012)
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM91966 (Chk1_97) Show SMILES COC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1cc(OC)ncc1C Show InChI InChI=1S/C23H21N3O4/c1-13-12-24-21(29-2)11-17(13)15-5-6-16-19(10-15)25-18-7-4-14(9-22(27)30-3)8-20(18)26-23(16)28/h4-8,10-12,25H,9H2,1-3H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
CSAR					Assay Description Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)				CSAR 1: (2012)
					More data for this Ligand-Target Pair