BDBM91914 Chk1_48

SMILES: OC1CC(CC1O)Oc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N

InChI Key: InChIKey=URMCAXGZEZUWEG-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 = 91914   

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))	BDBM91914 (Chk1_48) Show SMILES OC1CC(CC1O)Oc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N Show InChI InChI=1S/C17H16ClN5O4/c18-9-1-2-15(27-11-4-13(24)14(25)5-11)12(3-9)22-17(26)23-16-8-20-10(6-19)7-21-16/h1-3,7-8,11,13-14,24-25H,4-5H2,(H2,21,22,23,26)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	D3R	4.57	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))	BDBM91914 (Chk1_48) Show SMILES OC1CC(CC1O)Oc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N Show InChI InChI=1S/C17H16ClN5O4/c18-9-1-2-15(27-11-4-13(24)14(25)5-11)12(3-9)22-17(26)23-16-8-20-10(6-19)7-21-16/h1-3,7-8,11,13-14,24-25H,4-5H2,(H2,21,22,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	5	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				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM91914 (Chk1_48) Show SMILES OC1CC(CC1O)Oc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N Show InChI InChI=1S/C17H16ClN5O4/c18-9-1-2-15(27-11-4-13(24)14(25)5-11)12(3-9)22-17(26)23-16-8-20-10(6-19)7-21-16/h1-3,7-8,11,13-14,24-25H,4-5H2,(H2,21,22,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5	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				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM91914 (Chk1_48) Show SMILES OC1CC(CC1O)Oc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N Show InChI InChI=1S/C17H16ClN5O4/c18-9-1-2-15(27-11-4-13(24)14(25)5-11)12(3-9)22-17(26)23-16-8-20-10(6-19)7-21-16/h1-3,7-8,11,13-14,24-25H,4-5H2,(H2,21,22,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	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)