BDBM345089 4-[(2-{5-[5-chloro-2-(1,3- oxazol-5-yl)phenyl]-1- oxidopyridin-2-yl}-3- cyclopropylpropanoyl) amino]benzoic acid::US9783530, 34::US9783530, 35

SMILES: OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2-c2cnco2)cc1

InChI Key: InChIKey=OWHBEAUTFNBCPX-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 345089   

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
Coagulation factor XI (Homo sapiens (Human))	BDBM345089 (4-[(2-{5-[5-chloro-2-(1,3- oxazol-5-yl)phenyl]-1- ...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2-c2cnco2)cc1 Show InChI InChI=1S/C27H22ClN3O5/c28-19-6-9-21(25-13-29-15-36-25)22(12-19)18-5-10-24(31(35)14-18)23(11-16-1-2-16)26(32)30-20-7-3-17(4-8-20)27(33)34/h3-10,12-16,23H,1-2,11H2,(H,30,32)(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	443	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
Kallikrein 1 (Homo sapiens (Human))	BDBM345089 (4-[(2-{5-[5-chloro-2-(1,3- oxazol-5-yl)phenyl]-1- ...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2-c2cnco2)cc1 Show InChI InChI=1S/C27H22ClN3O5/c28-19-6-9-21(25-13-29-15-36-25)22(12-19)18-5-10-24(31(35)14-18)23(11-16-1-2-16)26(32)30-20-7-3-17(4-8-20)27(33)34/h3-10,12-16,23H,1-2,11H2,(H,30,32)(H,33,34)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	408	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))	BDBM345089 (4-[(2-{5-[5-chloro-2-(1,3- oxazol-5-yl)phenyl]-1- ...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2-c2cnco2)cc1 Show InChI InChI=1S/C27H22ClN3O5/c28-19-6-9-21(25-13-29-15-36-25)22(12-19)18-5-10-24(31(35)14-18)23(11-16-1-2-16)26(32)30-20-7-3-17(4-8-20)27(33)34/h3-10,12-16,23H,1-2,11H2,(H,30,32)(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.65	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