BDBM91953 Chk1_85

SMILES: OC1CCCC(Oc2ccc(Cl)cc2NC(=O)Nc2cnc(cn2)C#N)C1O

InChI Key: InChIKey=GNRKWGGLYIYYHI-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 = 91953   

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))	BDBM91953 (Chk1_85) Show SMILES OC1CCCC(Oc2ccc(Cl)cc2NC(=O)Nc2cnc(cn2)C#N)C1O Show InChI InChI=1S/C18H18ClN5O4/c19-10-4-5-14(28-15-3-1-2-13(25)17(15)26)12(6-10)23-18(27)24-16-9-21-11(7-20)8-22-16/h4-6,8-9,13,15,17,25-26H,1-3H2,(H2,22,23,24,27)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	D3R	10.6	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))	BDBM91953 (Chk1_85) Show SMILES OC1CCCC(Oc2ccc(Cl)cc2NC(=O)Nc2cnc(cn2)C#N)C1O Show InChI InChI=1S/C18H18ClN5O4/c19-10-4-5-14(28-15-3-1-2-13(25)17(15)26)12(6-10)23-18(27)24-16-9-21-11(7-20)8-22-16/h4-6,8-9,13,15,17,25-26H,1-3H2,(H2,22,23,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	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