BindingDB PrimarySearch

BDBM335932 4-(2-(1-(3-chloro-2- fluorophenyl)-1H-1,2,3- triazole-4-carbonyl)-5-(1H- indazol-6-yl)-1,2,3,4- tetrahydroisoquinoline-1- carboxamido)benzoic acid::US9738655, Example 161

SMILES: OC(=O)c1ccc(NC(=O)C2N(CCc3c2cccc3-c2ccc3cn[nH]c3c2)C(=O)c2cn(nn2)-c2cccc(Cl)c2F)cc1

InChI Key:

Data: 2 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 335932
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
Plasma kallikrein (Homo sapiens (Human))	BDBM335932 (4-(2-(1-(3-chloro-2- fluorophenyl)-1H-1,2,3- triaz...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...				US Patent US9738655 (2017) BindingDB Entry DOI: 10.7270/Q2BG2R3R
Bristol-Myers Squibb Company US Patent					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM335932 (4-(2-(1-(3-chloro-2- fluorophenyl)-1H-1,2,3- triaz...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9738655 (2017) BindingDB Entry DOI: 10.7270/Q2BG2R3R
Bristol-Myers Squibb Company US Patent					More data for this Ligand-Target Pair