BDBM335993 Ethyl 4-(2-(1-(3-chloro-2-fluorophenyl)-1H-1,2,3-triazole-4-carbonyl)-5-(4-(pyrrolidin-1-yl)piperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoate, 2 TFA salt::US9738655, Example 219

SMILES: CCOC(=O)c1ccc(NC(=O)C2N(CCc3c2cccc3N2CCC(CC2)N2CCCC2)C(=O)c2cn(nn2)-c2cccc(Cl)c2F)cc1

InChI Key: InChIKey=OGIRXZYFCSDAHF-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 = 335993   

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))	BDBM335993 (Ethyl 4-(2-(1-(3-chloro-2-fluorophenyl)-1H-1,2,3-t...) Show SMILES CCOC(=O)c1ccc(NC(=O)C2N(CCc3c2cccc3N2CCC(CC2)N2CCCC2)C(=O)c2cn(nn2)-c2cccc(Cl)c2F)cc1 Show InChI InChI=1S/C37H39ClFN7O4/c1-2-50-37(49)24-11-13-25(14-12-24)40-35(47)34-28-7-5-9-31(44-20-15-26(16-21-44)43-18-3-4-19-43)27(28)17-22-45(34)36(48)30-23-46(42-41-30)32-10-6-8-29(38)33(32)39/h5-14,23,26,34H,2-4,15-22H2,1H3,(H,40,47)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.96	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))	BDBM335993 (Ethyl 4-(2-(1-(3-chloro-2-fluorophenyl)-1H-1,2,3-t...) Show SMILES CCOC(=O)c1ccc(NC(=O)C2N(CCc3c2cccc3N2CCC(CC2)N2CCCC2)C(=O)c2cn(nn2)-c2cccc(Cl)c2F)cc1 Show InChI InChI=1S/C37H39ClFN7O4/c1-2-50-37(49)24-11-13-25(14-12-24)40-35(47)34-28-7-5-9-31(44-20-15-26(16-21-44)43-18-3-4-19-43)27(28)17-22-45(34)36(48)30-23-46(42-41-30)32-10-6-8-29(38)33(32)39/h5-14,23,26,34H,2-4,15-22H2,1H3,(H,40,47)	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