BDBM50244439 (2R,3S)-4-(2,3-dichlorophenylsulfonyl)-2,3-dihydroxy-N-((R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl)butanamide::CHEMBL488501

SMILES: O[C@H](CS(=O)(=O)c1cccc(Cl)c1Cl)[C@@H](O)C(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12

InChI Key: InChIKey=NPGZSUFBJBAYBE-TZBSWOFLSA-N

Data: 1 KI  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 3 hits for monomerid = 50244439   

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
Bradykinin B1 receptor (Homo sapiens (Human))	BDBM50244439 ((2R,3S)-4-(2,3-dichlorophenylsulfonyl)-2,3-dihydro...) Show SMILES O[C@H](CS(=O)(=O)c1cccc(Cl)c1Cl)[C@@H](O)C(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r| Show InChI InChI=1S/C26H32Cl2N2O5S/c27-20-7-5-9-23(24(20)28)36(34,35)16-22(31)25(32)26(33)29-21-8-4-6-18-14-17(10-11-19(18)21)15-30-12-2-1-3-13-30/h5,7,9-11,14,21-22,25,31-32H,1-4,6,8,12-13,15-16H2,(H,29,33)/t21-,22-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DAK from human bradykinin B1 receptor expressed in clone CHO-D-/aequorin cells				Bioorg Med Chem Lett 18: 4764-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.108 BindingDB Entry DOI: 10.7270/Q29C6X87
					More data for this Ligand-Target Pair
Bradykinin B1 receptor (Homo sapiens (Human))	BDBM50244439 ((2R,3S)-4-(2,3-dichlorophenylsulfonyl)-2,3-dihydro...) Show SMILES O[C@H](CS(=O)(=O)c1cccc(Cl)c1Cl)[C@@H](O)C(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r| Show InChI InChI=1S/C26H32Cl2N2O5S/c27-20-7-5-9-23(24(20)28)36(34,35)16-22(31)25(32)26(33)29-21-8-4-6-18-14-17(10-11-19(18)21)15-30-12-2-1-3-13-30/h5,7,9-11,14,21-22,25,31-32H,1-4,6,8,12-13,15-16H2,(H,29,33)/t21-,22-,25-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Antagonist activity at human bradykinin B1 receptor expressed in clone CHO-D-/aequorin cells by aquerin based assay				Bioorg Med Chem Lett 18: 4764-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.108 BindingDB Entry DOI: 10.7270/Q29C6X87
					More data for this Ligand-Target Pair
Bradykinin B1 receptor (Oryctolagus cuniculus)	BDBM50244439 ((2R,3S)-4-(2,3-dichlorophenylsulfonyl)-2,3-dihydro...) Show SMILES O[C@H](CS(=O)(=O)c1cccc(Cl)c1Cl)[C@@H](O)C(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r| Show InChI InChI=1S/C26H32Cl2N2O5S/c27-20-7-5-9-23(24(20)28)36(34,35)16-22(31)25(32)26(33)29-21-8-4-6-18-14-17(10-11-19(18)21)15-30-12-2-1-3-13-30/h5,7,9-11,14,21-22,25,31-32H,1-4,6,8,12-13,15-16H2,(H,29,33)/t21-,22-,25-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Antagonist activity at rabbit bradykinin B1 receptor expressed in clone CHO-D-/aequorin cells by aquerin based assay				Bioorg Med Chem Lett 18: 4764-9 (2008) Article DOI: 10.1016/j.bmcl.2008.07.108 BindingDB Entry DOI: 10.7270/Q29C6X87
					More data for this Ligand-Target Pair