BindingDB PrimarySearch

BDBM12956 (2S,3R)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[(2S)-2-({[(3,4-dichlorophenyl)methyl]carbamoyl}amino)-4-methylpentanamido]-3-methylpentanamide::alpha-ketothiazole analogue 16

SMILES: [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(Cl)c(Cl)c1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1

InChI Key: InChIKey=GVTZNVAHOSYMTK-PRKPZBFWSA-N

Data: 3 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 12956
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
Coagulation factor X (Homo sapiens (Human))	BDBM12956 ((2S,3R)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thi...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM12956 ((2S,3R)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thi...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM12956 ((2S,3R)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thi...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					More data for this Ligand-Target Pair