BDBM345108 4-[(2-{5-[5-chloro-2-(1H- 1,2,3-triazol-1-yl)phenyl]- 1-oxidopyridin-2-yl}-3- cyclopropylpropanoyl) amino]benzoic acid::US9783530, 54

SMILES: OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[nH+]2)-c2cc(Cl)ccc2-n2ccnn2)cc1

InChI Key: InChIKey=LRUDFXHPVCNXTP-UHFFFAOYSA-O

Data: 2 IC50

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 = 345108   

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
Kallikrein 1 (Homo sapiens (Human))	BDBM345108 (4-[(2-{5-[5-chloro-2-(1H- 1,2,3-triazol-1-yl)pheny...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[nH+]2)-c2cc(Cl)ccc2-n2ccnn2)cc1 Show InChI InChI=1S/C26H22ClN5O3/c27-19-6-10-24(32-12-11-29-31-32)21(14-19)18-5-9-23(28-15-18)22(13-16-1-2-16)25(33)30-20-7-3-17(4-8-20)26(34)35/h3-12,14-16,22H,1-2,13H2,(H,30,33)(H,34,35)/p+1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	678	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Kallikrein determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; Fishe...				US Patent US9783530 (2017) BindingDB Entry DOI: 10.7270/Q2N87CXK
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM345108 (4-[(2-{5-[5-chloro-2-(1H- 1,2,3-triazol-1-yl)pheny...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[nH+]2)-c2cc(Cl)ccc2-n2ccnn2)cc1 Show InChI InChI=1S/C26H22ClN5O3/c27-19-6-10-24(32-12-11-29-31-32)21(14-19)18-5-9-23(28-15-18)22(13-16-1-2-16)25(33)30-20-7-3-17(4-8-20)26(34)35/h3-12,14-16,22H,1-2,13H2,(H,30,33)(H,34,35)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...				US Patent US9783530 (2017) BindingDB Entry DOI: 10.7270/Q2N87CXK
					More data for this Ligand-Target Pair