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BDBM50244471 (R)-2-hydroxy-4-(naphthalen-2-ylsulfonyl)-N-((R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl)butanamide::CHEMBL486641

SMILES: O[C@H](CCS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12

InChI Key: InChIKey=QMHWRURODDSCKN-IMDSDXEONA-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 = 50244471   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50244471
PNG
((R)-2-hydroxy-4-(naphthalen-2-ylsulfonyl)-N-((R)-6...)
Show SMILES O[C@H](CCS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1/C30H36N2O4S/c33-29(15-18-37(35,36)26-13-12-23-7-2-3-8-24(23)20-26)30(34)31-28-10-6-9-25-19-22(11-14-27(25)28)21-32-16-4-1-5-17-32/h2-3,7-8,11-14,19-20,28-29,33H,1,4-6,9-10,15-18,21H2,(H,31,34)/t28-,29-/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
23.5n/an/an/an/an/an/an/an/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))
BDBM50244471
PNG
((R)-2-hydroxy-4-(naphthalen-2-ylsulfonyl)-N-((R)-6...)
Show SMILES O[C@H](CCS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1/C30H36N2O4S/c33-29(15-18-37(35,36)26-13-12-23-7-2-3-8-24(23)20-26)30(34)31-28-10-6-9-25-19-22(11-14-27(25)28)21-32-16-4-1-5-17-32/h2-3,7-8,11-14,19-20,28-29,33H,1,4-6,9-10,15-18,21H2,(H,31,34)/t28-,29-/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 50.6n/an/an/an/an/an/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