BDBM335881 4-(2-(1-(3-Chloro-2-fluorophenyl)-1H-1,2,3-triazole-4-carbonyl)-5-(piperidin-4-yloxy)-1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoic acid, TFA salt::US9738655, Example 112

SMILES: OC(=O)c1ccc(NC(=O)C2N(CCc3c(OC4CCNCC4)cccc23)C(=O)c2cn(nn2)-c2cccc(Cl)c2F)cc1

InChI Key: InChIKey=DRTJXWBTRVZLSH-UHFFFAOYSA-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 = 335881   

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))	BDBM335881 (4-(2-(1-(3-Chloro-2-fluorophenyl)-1H-1,2,3-triazol...) Show SMILES OC(=O)c1ccc(NC(=O)C2N(CCc3c(OC4CCNCC4)cccc23)C(=O)c2cn(nn2)-c2cccc(Cl)c2F)cc1 Show InChI InChI=1S/C31H28ClFN6O5/c32-23-4-2-5-25(27(23)33)39-17-24(36-37-39)30(41)38-16-13-21-22(3-1-6-26(21)44-20-11-14-34-15-12-20)28(38)29(40)35-19-9-7-18(8-10-19)31(42)43/h1-10,17,20,28,34H,11-16H2,(H,35,40)(H,42,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.16	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))	BDBM335881 (4-(2-(1-(3-Chloro-2-fluorophenyl)-1H-1,2,3-triazol...) Show SMILES OC(=O)c1ccc(NC(=O)C2N(CCc3c(OC4CCNCC4)cccc23)C(=O)c2cn(nn2)-c2cccc(Cl)c2F)cc1 Show InChI InChI=1S/C31H28ClFN6O5/c32-23-4-2-5-25(27(23)33)39-17-24(36-37-39)30(41)38-16-13-21-22(3-1-6-26(21)44-20-11-14-34-15-12-20)28(38)29(40)35-19-9-7-18(8-10-19)31(42)43/h1-10,17,20,28,34H,11-16H2,(H,35,40)(H,42,43)	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