BDBM14826 1-[5-chloro-2-(tetrahydrofuran-3-yloxy)phenyl]-3-(5-cyanopyrazin-2-yl)urea::3-[5-chloro-2-(oxolan-3-yloxy)phenyl]-1-(5-cyanopyrazin-2-yl)urea::Chk1_12::urea-based inhibitor 2a

SMILES: Clc1ccc(OC2CCOC2)c(NC(=O)Nc2cnc(cn2)C#N)c1

InChI Key: InChIKey=YPNTXIYIFCQOMG-UHFFFAOYSA-N

Data: 2 KI  3 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 5 hits for monomerid = 14826   

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))	BDBM14826 (1-[5-chloro-2-(tetrahydrofuran-3-yloxy)phenyl]-3-(...) Show SMILES Clc1ccc(OC2CCOC2)c(NC(=O)Nc2cnc(cn2)C#N)c1 Show InChI InChI=1S/C16H14ClN5O3/c17-10-1-2-14(25-12-3-4-24-9-12)13(5-10)21-16(23)22-15-8-19-11(6-18)7-20-15/h1-2,5,7-8,12H,3-4,9H2,(H2,20,21,22,23)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	D3R	2.95	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))	BDBM14826 (1-[5-chloro-2-(tetrahydrofuran-3-yloxy)phenyl]-3-(...) Show SMILES Clc1ccc(OC2CCOC2)c(NC(=O)Nc2cnc(cn2)C#N)c1 Show InChI InChI=1S/C16H14ClN5O3/c17-10-1-2-14(25-12-3-4-24-9-12)13(5-10)21-16(23)22-15-8-19-11(6-18)7-20-15/h1-2,5,7-8,12H,3-4,9H2,(H2,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.20	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))	BDBM14826 (1-[5-chloro-2-(tetrahydrofuran-3-yloxy)phenyl]-3-(...) Show SMILES Clc1ccc(OC2CCOC2)c(NC(=O)Nc2cnc(cn2)C#N)c1 Show InChI InChI=1S/C16H14ClN5O3/c17-10-1-2-14(25-12-3-4-24-9-12)13(5-10)21-16(23)22-15-8-19-11(6-18)7-20-15/h1-2,5,7-8,12H,3-4,9H2,(H2,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	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)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM14826 (1-[5-chloro-2-(tetrahydrofuran-3-yloxy)phenyl]-3-(...) Show SMILES Clc1ccc(OC2CCOC2)c(NC(=O)Nc2cnc(cn2)C#N)c1 Show InChI InChI=1S/C16H14ClN5O3/c17-10-1-2-14(25-12-3-4-24-9-12)13(5-10)21-16(23)22-15-8-19-11(6-18)7-20-15/h1-2,5,7-8,12H,3-4,9H2,(H2,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description Chk1 kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 5uM ATP/[gamma-33P] ATP. 33P incor...				J Med Chem 48: 3118-21 (2005) Article DOI: 10.1021/jm048989d BindingDB Entry DOI: 10.7270/Q2HM56PT
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM14826 (1-[5-chloro-2-(tetrahydrofuran-3-yloxy)phenyl]-3-(...) Show SMILES Clc1ccc(OC2CCOC2)c(NC(=O)Nc2cnc(cn2)C#N)c1 Show InChI InChI=1S/C16H14ClN5O3/c17-10-1-2-14(25-12-3-4-24-9-12)13(5-10)21-16(23)22-15-8-19-11(6-18)7-20-15/h1-2,5,7-8,12H,3-4,9H2,(H2,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	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)