BDBM335985 4-(2-(5-amino-1-(3-chloro- 2-fluorophenyl)-1H- pyrazole-4-carbonyl)-5-(4- methylpiperazin-1- yl)-1,2,3,4- tetrahydroisoquinoline-1- carboxamido)benzoic acid, 2 TFA salt::US9738655, Example 212

SMILES: CN1CCN(CC1)c1cccc2C(N(CCc12)C(=O)c1cnn(c1N)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O

InChI Key: InChIKey=NAHGIMDHYQSLEN-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 = 335985   

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))	BDBM335985 (4-(2-(5-amino-1-(3-chloro- 2-fluorophenyl)-1H- pyr...) Show SMILES CN1CCN(CC1)c1cccc2C(N(CCc12)C(=O)c1cnn(c1N)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C32H31ClFN7O4/c1-38-14-16-39(17-15-38)25-6-2-4-22-21(25)12-13-40(28(22)30(42)37-20-10-8-19(9-11-20)32(44)45)31(43)23-18-36-41(29(23)35)26-7-3-5-24(33)27(26)34/h2-11,18,28H,12-17,35H2,1H3,(H,37,42)(H,44,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.89	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))	BDBM335985 (4-(2-(5-amino-1-(3-chloro- 2-fluorophenyl)-1H- pyr...) Show SMILES CN1CCN(CC1)c1cccc2C(N(CCc12)C(=O)c1cnn(c1N)-c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C32H31ClFN7O4/c1-38-14-16-39(17-15-38)25-6-2-4-22-21(25)12-13-40(28(22)30(42)37-20-10-8-19(9-11-20)32(44)45)31(43)23-18-36-41(29(23)35)26-7-3-5-24(33)27(26)34/h2-11,18,28H,12-17,35H2,1H3,(H,37,42)(H,44,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	20.9	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