BDBM336064 (S)-4-(2-(1-(3-chloro-2- fluorophenyl)-1H-1,2,3-triazole- 4-carbonyl)-5-(4-methyl-3- oxopiperizin-1-yl)-1,2,3,4- tetrahydroisoquinoline-1- carboxamido)benzoic acid, TFA salt::US9738655, Example 287

SMILES: CN1CCN(CC1=O)c1cccc2[C@H](N(CCc12)C(=O)c1cn(nn1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O

InChI Key: InChIKey=ZHBIFHSCHDUCTJ-NDEPHWFRSA-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 = 336064   

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))	BDBM336064 ((S)-4-(2-(1-(3-chloro-2- fluorophenyl)-1H-1,2,3-tr...) Show SMILES CN1CCN(CC1=O)c1cccc2[C@H](N(CCc12)C(=O)c1cn(nn1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C31H27ClFN7O5/c1-37-14-15-38(17-26(37)41)24-6-2-4-21-20(24)12-13-39(28(21)29(42)34-19-10-8-18(9-11-19)31(44)45)30(43)23-16-40(36-35-23)25-7-3-5-22(32)27(25)33/h2-11,16,28H,12-15,17H2,1H3,(H,34,42)(H,44,45)/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.82	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))	BDBM336064 ((S)-4-(2-(1-(3-chloro-2- fluorophenyl)-1H-1,2,3-tr...) Show SMILES CN1CCN(CC1=O)c1cccc2[C@H](N(CCc12)C(=O)c1cn(nn1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C31H27ClFN7O5/c1-37-14-15-38(17-26(37)41)24-6-2-4-21-20(24)12-13-39(28(21)29(42)34-19-10-8-18(9-11-19)31(44)45)30(43)23-16-40(36-35-23)25-7-3-5-22(32)27(25)33/h2-11,16,28H,12-15,17H2,1H3,(H,34,42)(H,44,45)/t28-/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