BDBM335761 (S)-4-(2-(1-(3-Chloro-2-fluorophenyl)-1H-1,2,3-triazole-4-carbonyl)-5-(6-cyanopyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoic acid, TFA salt::US9738655, Example 16

SMILES: OC(=O)c1ccc(NC(=O)[C@H]2N(CCc3c2cccc3-c2ccc(nc2)C#N)C(=O)c2cn(nn2)-c2cccc(Cl)c2F)cc1

InChI Key: InChIKey=HETUUWMBFBHOTJ-LJAQVGFWSA-N

Data: 2 KI

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 2 hits for monomerid = 335761   

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
Plasma kallikrein (Homo sapiens (Human))	BDBM335761 ((S)-4-(2-(1-(3-Chloro-2-fluorophenyl)-1H-1,2,3-tri...) Show SMILES OC(=O)c1ccc(NC(=O)[C@H]2N(CCc3c2cccc3-c2ccc(nc2)C#N)C(=O)c2cn(nn2)-c2cccc(Cl)c2F)cc1 |r| Show InChI InChI=1S/C32H21ClFN7O4/c33-25-5-2-6-27(28(25)34)41-17-26(38-39-41)31(43)40-14-13-23-22(19-9-12-21(15-35)36-16-19)3-1-4-24(23)29(40)30(42)37-20-10-7-18(8-11-20)32(44)45/h1-12,16-17,29H,13-14H2,(H,37,42)(H,44,45)/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.55	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
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM335761 ((S)-4-(2-(1-(3-Chloro-2-fluorophenyl)-1H-1,2,3-tri...) Show SMILES OC(=O)c1ccc(NC(=O)[C@H]2N(CCc3c2cccc3-c2ccc(nc2)C#N)C(=O)c2cn(nn2)-c2cccc(Cl)c2F)cc1 |r| Show InChI InChI=1S/C32H21ClFN7O4/c33-25-5-2-6-27(28(25)34)41-17-26(38-39-41)31(43)40-14-13-23-22(19-9-12-21(15-35)36-16-19)3-1-4-24(23)29(40)30(42)37-20-10-7-18(8-11-20)32(44)45/h1-12,16-17,29H,13-14H2,(H,37,42)(H,44,45)/t29-/m0/s1	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
					More data for this Ligand-Target Pair