BDBM6417 4-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyridin-3-yl)amino]butan-1-ol::4-{5-[6-(3-Chloro-phenylamino)-pyrazin-2-yl]-pyridin-3-ylamino}-butan-1-ol::Pyrazine-Pyridine Biheteroaryl 39

SMILES: OCCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1

InChI Key: InChIKey=IDNNHUIRPPFJBA-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 6417   

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
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM6417 (4-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyrid...) Show SMILES OCCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1 Show InChI InChI=1S/C19H20ClN5O/c20-15-4-3-5-16(9-15)24-19-13-22-12-18(25-19)14-8-17(11-21-10-14)23-6-1-2-7-26/h3-5,8-13,23,26H,1-2,6-7H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical					Assay Description The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...				J Med Chem 48: 4892-909 (2005) Article DOI: 10.1021/jm058205b BindingDB Entry DOI: 10.7270/Q2NC5ZD5
					More data for this Ligand-Target Pair
VEGFR-2 (KDR) (Rattus norvegicus (rat))	BDBM6417 (4-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyrid...) Show SMILES OCCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1 Show InChI InChI=1S/C19H20ClN5O/c20-15-4-3-5-16(9-15)24-19-13-22-12-18(25-19)14-8-17(11-21-10-14)23-6-1-2-7-26/h3-5,8-13,23,26H,1-2,6-7H2,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical					Assay Description The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...				J Med Chem 48: 4892-909 (2005) Article DOI: 10.1021/jm058205b BindingDB Entry DOI: 10.7270/Q2NC5ZD5
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM6417 (4-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyrid...) Show SMILES OCCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1 Show InChI InChI=1S/C19H20ClN5O/c20-15-4-3-5-16(9-15)24-19-13-22-12-18(25-19)14-8-17(11-21-10-14)23-6-1-2-7-26/h3-5,8-13,23,26H,1-2,6-7H2,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical					Assay Description The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...				J Med Chem 48: 4892-909 (2005) Article DOI: 10.1021/jm058205b BindingDB Entry DOI: 10.7270/Q2NC5ZD5
					More data for this Ligand-Target Pair
Glycogen Synthase Kinase-3, beta (Oryctolagus cuniculus (rabbit))	BDBM6417 (4-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyrid...) Show SMILES OCCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1 Show InChI InChI=1S/C19H20ClN5O/c20-15-4-3-5-16(9-15)24-19-13-22-12-18(25-19)14-8-17(11-21-10-14)23-6-1-2-7-26/h3-5,8-13,23,26H,1-2,6-7H2,(H,24,25)	GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical					Assay Description The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...				J Med Chem 48: 4892-909 (2005) Article DOI: 10.1021/jm058205b BindingDB Entry DOI: 10.7270/Q2NC5ZD5
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 2 (Homo sapiens (Human))	BDBM6417 (4-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyrid...) Show SMILES OCCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1 Show InChI InChI=1S/C19H20ClN5O/c20-15-4-3-5-16(9-15)24-19-13-22-12-18(25-19)14-8-17(11-21-10-14)23-6-1-2-7-26/h3-5,8-13,23,26H,1-2,6-7H2,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical					Assay Description The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...				J Med Chem 48: 4892-909 (2005) Article DOI: 10.1021/jm058205b BindingDB Entry DOI: 10.7270/Q2NC5ZD5
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM6417 (4-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyrid...) Show SMILES OCCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1 Show InChI InChI=1S/C19H20ClN5O/c20-15-4-3-5-16(9-15)24-19-13-22-12-18(25-19)14-8-17(11-21-10-14)23-6-1-2-7-26/h3-5,8-13,23,26H,1-2,6-7H2,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical					Assay Description The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...				J Med Chem 48: 4892-909 (2005) Article DOI: 10.1021/jm058205b BindingDB Entry DOI: 10.7270/Q2NC5ZD5
					More data for this Ligand-Target Pair