BDBM335785 4-(2-(1-(3-chloro-2- fluorophenyl)-1H-1,2,3- triazole-4-carbonyl)- 1,1',2,2',3,3',4,4'- octahydro-[5,6'- biisoquinoline]-1- carboxamido)benzoic acid, TFA salt::US9738655, Example 40

SMILES: COC(=O)c1ccc(NC(=O)[C@@H]2N(CCc3c2cccc3-c2ccc3CNCCc3c2)C(=O)[C@H]2CC(=NO2)c2cccc(Cl)c2F)cc1

InChI Key: InChIKey=FENPKALJPSEIAL-ZFEZZJPFSA-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 = 335785   

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))	BDBM335785 (4-(2-(1-(3-chloro-2- fluorophenyl)-1H-1,2,3- triaz...) Show SMILES COC(=O)c1ccc(NC(=O)[C@@H]2N(CCc3c2cccc3-c2ccc3CNCCc3c2)C(=O)[C@H]2CC(=NO2)c2cccc(Cl)c2F)cc1 |r,c:39| Show InChI InChI=1S/C37H32ClFN4O5/c1-47-37(46)21-10-12-25(13-11-21)41-35(44)34-28-5-2-4-26(23-8-9-24-20-40-16-14-22(24)18-23)27(28)15-17-43(34)36(45)32-19-31(42-48-32)29-6-3-7-30(38)33(29)39/h2-13,18,32,34,40H,14-17,19-20H2,1H3,(H,41,44)/t32-,34-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.81	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))	BDBM335785 (4-(2-(1-(3-chloro-2- fluorophenyl)-1H-1,2,3- triaz...) Show SMILES COC(=O)c1ccc(NC(=O)[C@@H]2N(CCc3c2cccc3-c2ccc3CNCCc3c2)C(=O)[C@H]2CC(=NO2)c2cccc(Cl)c2F)cc1 |r,c:39| Show InChI InChI=1S/C37H32ClFN4O5/c1-47-37(46)21-10-12-25(13-11-21)41-35(44)34-28-5-2-4-26(23-8-9-24-20-40-16-14-22(24)18-23)27(28)15-17-43(34)36(45)32-19-31(42-48-32)29-6-3-7-30(38)33(29)39/h2-13,18,32,34,40H,14-17,19-20H2,1H3,(H,41,44)/t32-,34-/m1/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