BDBM335868 N-(4-Carbamoylphenyl)-2-(1-(3-chloro-2-fluorophenyl)-1H-1,2,3-triazole-4-carbonyl)-5-(4-(dimethylamino)piperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide, bis-TFA salt::US9738655, Example 99

SMILES: CN(C)C1CCN(CC1)c1cccc2C(N(CCc12)C(=O)c1cn(nn1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(N)=O

InChI Key: InChIKey=NMESXYFWTSUGKH-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 = 335868   

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))	BDBM335868 (N-(4-Carbamoylphenyl)-2-(1-(3-chloro-2-fluoropheny...) Show SMILES CN(C)C1CCN(CC1)c1cccc2C(N(CCc12)C(=O)c1cn(nn1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(N)=O Show InChI InChI=1S/C33H34ClFN8O3/c1-40(2)22-13-16-41(17-14-22)27-7-3-5-24-23(27)15-18-42(30(24)32(45)37-21-11-9-20(10-12-21)31(36)44)33(46)26-19-43(39-38-26)28-8-4-6-25(34)29(28)35/h3-12,19,22,30H,13-18H2,1-2H3,(H2,36,44)(H,37,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.74	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))	BDBM335868 (N-(4-Carbamoylphenyl)-2-(1-(3-chloro-2-fluoropheny...) Show SMILES CN(C)C1CCN(CC1)c1cccc2C(N(CCc12)C(=O)c1cn(nn1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(N)=O Show InChI InChI=1S/C33H34ClFN8O3/c1-40(2)22-13-16-41(17-14-22)27-7-3-5-24-23(27)15-18-42(30(24)32(45)37-21-11-9-20(10-12-21)31(36)44)33(46)26-19-43(39-38-26)28-8-4-6-25(34)29(28)35/h3-12,19,22,30H,13-18H2,1-2H3,(H2,36,44)(H,37,45)	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