BDBM335797 (S)-4-(2-(1-(3-chloro-2- fluorophenyl)-1H-pyrazole-4- carbonyl)-5-(4- (dimethylamino)piperidin-1- yl)-1,2,3,4- tetrahydroisoquinoline-1- carboxamido)benzoic acid, bis-TFA salt::US9738655, Example 52

SMILES: CN(C)C1CCN(CC1)c1cccc2[C@H](N(CCc12)C(=O)c1cnn(c1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O

InChI Key: InChIKey=FBPUIWCXHWSFDU-HKBQPEDESA-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 = 335797   

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))	BDBM335797 ((S)-4-(2-(1-(3-chloro-2- fluorophenyl)-1H-pyrazole...) Show SMILES CN(C)C1CCN(CC1)c1cccc2[C@H](N(CCc12)C(=O)c1cnn(c1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C34H34ClFN6O4/c1-39(2)24-13-16-40(17-14-24)28-7-3-5-26-25(28)15-18-41(31(26)32(43)38-23-11-9-21(10-12-23)34(45)46)33(44)22-19-37-42(20-22)29-8-4-6-27(35)30(29)36/h3-12,19-20,24,31H,13-18H2,1-2H3,(H,38,43)(H,45,46)/t31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.79	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))	BDBM335797 ((S)-4-(2-(1-(3-chloro-2- fluorophenyl)-1H-pyrazole...) Show SMILES CN(C)C1CCN(CC1)c1cccc2[C@H](N(CCc12)C(=O)c1cnn(c1)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C34H34ClFN6O4/c1-39(2)24-13-16-40(17-14-24)28-7-3-5-26-25(28)15-18-41(31(26)32(43)38-23-11-9-21(10-12-23)34(45)46)33(44)22-19-37-42(20-22)29-8-4-6-27(35)30(29)36/h3-12,19-20,24,31H,13-18H2,1-2H3,(H,38,43)(H,45,46)/t31-/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