BindingDB PrimarySearch

BDBM50343938 CHEMBL1778662::rac-2-(6-hydroxy-6-methylheptan-2-ylamino)-4-methyl-6-(5-methyl-1H-pyrazol-3-ylamino)nicotinonitrile hydrochloride

SMILES: CC(CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N

InChI Key: InChIKey=XHHRGYCOEVNAKV-UHFFFAOYSA-N

Data: 5 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50343938
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Aurora kinase A (Homo sapiens (Human))	BDBM50343938 (CHEMBL1778662 \| rac-2-(6-hydroxy-6-methylheptan-2-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of aurora A				Bioorg Med Chem Lett 20: 4709-11 (2010) Article DOI: 10.1016/j.bmcl.2010.04.119 BindingDB Entry DOI: 10.7270/Q2RF5VC3
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase Yes (Homo sapiens (Human))	BDBM50343938 (CHEMBL1778662 \| rac-2-(6-hydroxy-6-methylheptan-2-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of Yes				Bioorg Med Chem Lett 20: 4709-11 (2010) Article DOI: 10.1016/j.bmcl.2010.04.119 BindingDB Entry DOI: 10.7270/Q2RF5VC3
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50343938 (CHEMBL1778662 \| rac-2-(6-hydroxy-6-methylheptan-2-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of c-SRC				Bioorg Med Chem Lett 20: 4709-11 (2010) Article DOI: 10.1016/j.bmcl.2010.04.119 BindingDB Entry DOI: 10.7270/Q2RF5VC3
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase Fyn (Homo sapiens (Human))	BDBM50343938 (CHEMBL1778662 \| rac-2-(6-hydroxy-6-methylheptan-2-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of Fyn				Bioorg Med Chem Lett 20: 4709-11 (2010) Article DOI: 10.1016/j.bmcl.2010.04.119 BindingDB Entry DOI: 10.7270/Q2RF5VC3
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50343938 (CHEMBL1778662 \| rac-2-(6-hydroxy-6-methylheptan-2-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of aurora B				Bioorg Med Chem Lett 20: 4709-11 (2010) Article DOI: 10.1016/j.bmcl.2010.04.119 BindingDB Entry DOI: 10.7270/Q2RF5VC3
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					More data for this Ligand-Target Pair