BDBM50165843 4'-{[3-(3,3,3-Trifluoro-propionylamino)-pyridin-2-ylamino]-methyl}-biphenyl-2-carboxylic acid methyl ester::4'-{[3-(3,3,3-trifluoro-propionylamino)-pyridin-2-ylamino]-methyl}-biphenyl-2-carboxylic acid ethyl ester::CHEMBL195883

SMILES: COC(=O)c1ccccc1-c1ccc(CNc2ncccc2NC(=O)CC(F)(F)F)cc1

InChI Key: InChIKey=KHOQTIOVNITGFA-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50165843   

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
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50165843 (4'-{[3-(3,3,3-Trifluoro-propionylamino)-pyridin-2-...) Show SMILES COC(=O)c1ccccc1-c1ccc(CNc2ncccc2NC(=O)CC(F)(F)F)cc1 Show InChI InChI=1S/C23H20F3N3O3/c1-32-22(31)18-6-3-2-5-17(18)16-10-8-15(9-11-16)14-28-21-19(7-4-12-27-21)29-20(30)13-23(24,25)26/h2-12H,13-14H2,1H3,(H,27,28)(H,29,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at Bradykinin B1 receptor				J Med Chem 54: 2529-91 (2011) Article DOI: 10.1021/jm1013693 BindingDB Entry DOI: 10.7270/Q24M95PH
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50165843 (4'-{[3-(3,3,3-Trifluoro-propionylamino)-pyridin-2-...) Show SMILES COC(=O)c1ccccc1-c1ccc(CNc2ncccc2NC(=O)CC(F)(F)F)cc1 Show InChI InChI=1S/C23H20F3N3O3/c1-32-22(31)18-6-3-2-5-17(18)16-10-8-15(9-11-16)14-28-21-19(7-4-12-27-21)29-20(30)13-23(24,25)26/h2-12H,13-14H2,1H3,(H,27,28)(H,29,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human bradykinin B1 receptor expressed in CHO cells				J Med Chem 49: 1231-4 (2006) Article DOI: 10.1021/jm0511280 BindingDB Entry DOI: 10.7270/Q2MW2GQ4
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50165843 (4'-{[3-(3,3,3-Trifluoro-propionylamino)-pyridin-2-...) Show SMILES COC(=O)c1ccccc1-c1ccc(CNc2ncccc2NC(=O)CC(F)(F)F)cc1 Show InChI InChI=1S/C23H20F3N3O3/c1-32-22(31)18-6-3-2-5-17(18)16-10-8-15(9-11-16)14-28-21-19(7-4-12-27-21)29-20(30)13-23(24,25)26/h2-12H,13-14H2,1H3,(H,27,28)(H,29,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against human Bradykinin receptor B1 expressed in chinese hamster ovary cells				Bioorg Med Chem Lett 15: 2385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.02.077 BindingDB Entry DOI: 10.7270/Q2FF3RW1
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50165843 (4'-{[3-(3,3,3-Trifluoro-propionylamino)-pyridin-2-...) Show SMILES COC(=O)c1ccccc1-c1ccc(CNc2ncccc2NC(=O)CC(F)(F)F)cc1 Show InChI InChI=1S/C23H20F3N3O3/c1-32-22(31)18-6-3-2-5-17(18)16-10-8-15(9-11-16)14-28-21-19(7-4-12-27-21)29-20(30)13-23(24,25)26/h2-12H,13-14H2,1H3,(H,27,28)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to bradykinin B2 receptor				J Med Chem 49: 1231-4 (2006) Article DOI: 10.1021/jm0511280 BindingDB Entry DOI: 10.7270/Q2MW2GQ4
					More data for this Ligand-Target Pair