BDBM50244620 (2R,3S)-2,3-dihydroxy-N-((R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-4-tosylbutanamide::CHEMBL452057

SMILES: Cc1ccc(cc1)S(=O)(=O)C[C@@H](O)[C@@H](O)C(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12

InChI Key: InChIKey=JBWKACZNLRSQMB-TWJOJJKGSA-N

Data: 1 KI  1 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 = 50244620   

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))	BDBM50244620 ((2R,3S)-2,3-dihydroxy-N-((R)-6-(piperidin-1-ylmeth...) Show SMILES Cc1ccc(cc1)S(=O)(=O)C[C@@H](O)[C@@H](O)C(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r| Show InChI InChI=1S/C27H36N2O5S/c1-19-8-11-22(12-9-19)35(33,34)18-25(30)26(31)27(32)28-24-7-5-6-21-16-20(10-13-23(21)24)17-29-14-3-2-4-15-29/h8-13,16,24-26,30-31H,2-7,14-15,17-18H2,1H3,(H,28,32)/t24-,25-,26-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	138	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))	BDBM50244620 ((2R,3S)-2,3-dihydroxy-N-((R)-6-(piperidin-1-ylmeth...) Show SMILES Cc1ccc(cc1)S(=O)(=O)C[C@@H](O)[C@@H](O)C(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r| Show InChI InChI=1S/C27H36N2O5S/c1-19-8-11-22(12-9-19)35(33,34)18-25(30)26(31)27(32)28-24-7-5-6-21-16-20(10-13-23(21)24)17-29-14-3-2-4-15-29/h8-13,16,24-26,30-31H,2-7,14-15,17-18H2,1H3,(H,28,32)/t24-,25-,26-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	84.2	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