BindingDB PrimarySearch

BDBM5668 2-amino-5-thio-substituted thiazole 45::BMS-387032 analog 2::N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)-2-(4-{[(1,3-dihydroxypropan-2-yl)amino]methyl}phenyl)acetamide::N-[5-[[[5-tert-Butyl-2-oxazolyl]methyl]thio]-2-thiazolyl]-4-[[[bis(hydroxymethyl)methyl]amino]methyl]benzeneacetamide Hydrochloride Salt

SMILES: CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3ccc(CNC(CO)CO)cc3)s2)o1

InChI Key: InChIKey=FDWQSLRDIBRKEI-UHFFFAOYSA-N

Data: 4 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 5668
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
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM5668 (2-amino-5-thio-substituted thiazole 45 \| BMS-38703...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	8.0	30
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				J Med Chem 45: 3905-27 (2002) Article DOI: 10.1021/jm0201520 BindingDB Entry DOI: 10.7270/Q2GT5KC3
Bristol-Myers Squibb Pharmaceutical Research Institute					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM5668 (2-amino-5-thio-substituted thiazole 45 \| BMS-38703...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	8.0	30
Bristol-Myers Squibb Company					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				J Med Chem 47: 1719-28 (2004) Article DOI: 10.1021/jm0305568 BindingDB Entry DOI: 10.7270/Q26971SZ
Bristol-Myers Squibb Company					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM5668 (2-amino-5-thio-substituted thiazole 45 \| BMS-38703...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				J Med Chem 45: 3905-27 (2002) Article DOI: 10.1021/jm0201520 BindingDB Entry DOI: 10.7270/Q2GT5KC3
Bristol-Myers Squibb Pharmaceutical Research Institute					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM5668 (2-amino-5-thio-substituted thiazole 45 \| BMS-38703...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...				J Med Chem 45: 3905-27 (2002) Article DOI: 10.1021/jm0201520 BindingDB Entry DOI: 10.7270/Q2GT5KC3
Bristol-Myers Squibb Pharmaceutical Research Institute					More data for this Ligand-Target Pair