BDBM91851 Chk1_127

SMILES: COC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1cc[nH]c(=O)c1

InChI Key: InChIKey=CBNPXWXQUKTIIL-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 = 91851   

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))	BDBM91851 (Chk1_127) Show SMILES COC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1cc[nH]c(=O)c1 Show InChI InChI=1S/C21H17N3O4/c1-28-20(26)9-12-2-5-16-18(8-12)24-21(27)15-4-3-13(10-17(15)23-16)14-6-7-22-19(25)11-14/h2-8,10-11,23H,9H2,1H3,(H,22,25)(H,24,27)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	8.64	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))	BDBM91851 (Chk1_127) Show SMILES COC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1cc[nH]c(=O)c1 Show InChI InChI=1S/C21H17N3O4/c1-28-20(26)9-12-2-5-16-18(8-12)24-21(27)15-4-3-13(10-17(15)23-16)14-6-7-22-19(25)11-14/h2-8,10-11,23H,9H2,1H3,(H,22,25)(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	9	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				3D Structure (docked)