BDBM91840 Chk1_113

SMILES: COc1cc(ccc1Cl)-c1ccc2c(Nc3ccc(CC(=O)N4CCCC(O)C4)cc3NC2=O)c1

InChI Key: InChIKey=CEKBXLQZFZTHTK-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 91840   

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 [2-280] (Homo sapiens (Human))	BDBM91840 (Chk1_113) Show SMILES COc1cc(ccc1Cl)-c1ccc2c(Nc3ccc(CC(=O)N4CCCC(O)C4)cc3NC2=O)c1 Show InChI InChI=1S/C27H26ClN3O4/c1-35-25-14-18(6-8-21(25)28)17-5-7-20-23(13-17)29-22-9-4-16(11-24(22)30-27(20)34)12-26(33)31-10-2-3-19(32)15-31/h4-9,11,13-14,19,29,32H,2-3,10,12,15H2,1H3,(H,30,34)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	14.8	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))	BDBM91840 (Chk1_113) Show SMILES COc1cc(ccc1Cl)-c1ccc2c(Nc3ccc(CC(=O)N4CCCC(O)C4)cc3NC2=O)c1 Show InChI InChI=1S/C27H26ClN3O4/c1-35-25-14-18(6-8-21(25)28)17-5-7-20-23(13-17)29-22-9-4-16(11-24(22)30-27(20)34)12-26(33)31-10-2-3-19(32)15-31/h4-9,11,13-14,19,29,32H,2-3,10,12,15H2,1H3,(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	15	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