Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 506.3 BDBM50202420

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kJ/mol)

Found 2 hits in this display   

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))	BDBM50202420 (CHEMBL219309 | methyl 3,3'-difluoro-4'-{[({1-[(2,2...) Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(CC2)NC(=O)C(F)(F)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C22H17F7N2O4/c1-35-17(32)16-13(3-2-4-14(16)23)11-5-6-12(15(24)9-11)10-30-18(33)20(7-8-20)31-19(34)21(25,26)22(27,28)29/h2-6,9H,7-8,10H2,1H3,(H,30,33)(H,31,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10 Leu9 kallidin from human bradykinin B1 receptor expressed in CHO cells				J Med Chem 50: 272-82 (2007) Article DOI: 10.1021/jm061094b BindingDB Entry DOI: 10.7270/Q2X63MMQ
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50202420 (CHEMBL219309 | methyl 3,3'-difluoro-4'-{[({1-[(2,2...) Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(CC2)NC(=O)C(F)(F)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C22H17F7N2O4/c1-35-17(32)16-13(3-2-4-14(16)23)11-5-6-12(15(24)9-11)10-30-18(33)20(7-8-20)31-19(34)21(25,26)22(27,28)29/h2-6,9H,7-8,10H2,1H3,(H,30,33)(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human bradykinin B2 receptor				J Med Chem 50: 272-82 (2007) Article DOI: 10.1021/jm061094b BindingDB Entry DOI: 10.7270/Q2X63MMQ
					More data for this Ligand-Target Pair