BDBM335878 4-(5-(Aminomethyl)-2-(1-(3-chloro-2-fluorophenyl)-1H-1,2,3-triazole-4-carbonyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoic acid, TFA salt::US9738655, Example 109

SMILES: NCc1cccc2C(N(CCc12)C(=O)c1cn(nn1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O

InChI Key: InChIKey=YTULCQGNUIGFGU-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 = 335878   

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))	BDBM335878 (4-(5-(Aminomethyl)-2-(1-(3-chloro-2-fluorophenyl)-...) Show SMILES NCc1cccc2C(N(CCc12)C(=O)c1cn(nn1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C27H22ClFN6O4/c28-20-5-2-6-22(23(20)29)35-14-21(32-33-35)26(37)34-12-11-18-16(13-30)3-1-4-19(18)24(34)25(36)31-17-9-7-15(8-10-17)27(38)39/h1-10,14,24H,11-13,30H2,(H,31,36)(H,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.29	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))	BDBM335878 (4-(5-(Aminomethyl)-2-(1-(3-chloro-2-fluorophenyl)-...) Show SMILES NCc1cccc2C(N(CCc12)C(=O)c1cn(nn1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C27H22ClFN6O4/c28-20-5-2-6-22(23(20)29)35-14-21(32-33-35)26(37)34-12-11-18-16(13-30)3-1-4-19(18)24(34)25(36)31-17-9-7-15(8-10-17)27(38)39/h1-10,14,24H,11-13,30H2,(H,31,36)(H,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14.5	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