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BDBM50344089 2-(3-oxo-1-(phenylsulfonyl)piperazin-2-yl)-N-((R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide::CHEMBL1777881

SMILES: O=C(CC1N(CCNC1=O)S(=O)(=O)c1ccccc1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12

InChI Key: InChIKey=OLFLIQAEINRCNY-DCWQJPKNSA-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 = 50344089   
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))
BDBM50344089
PNG
(2-(3-oxo-1-(phenylsulfonyl)piperazin-2-yl)-N-((R)-...)
Show SMILES O=C(CC1N(CCNC1=O)S(=O)(=O)c1ccccc1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C28H36N4O4S/c33-27(19-26-28(34)29-14-17-32(26)37(35,36)23-9-3-1-4-10-23)30-25-11-7-8-22-18-21(12-13-24(22)25)20-31-15-5-2-6-16-31/h1,3-4,9-10,12-13,18,25-26H,2,5-8,11,14-17,19-20H2,(H,29,34)(H,30,33)/t25-,26?/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor


Bioorg Med Chem Lett 21: 3384-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.115
BindingDB Entry DOI: 10.7270/Q2FX79R6
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50344089
PNG
(2-(3-oxo-1-(phenylsulfonyl)piperazin-2-yl)-N-((R)-...)
Show SMILES O=C(CC1N(CCNC1=O)S(=O)(=O)c1ccccc1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C28H36N4O4S/c33-27(19-26-28(34)29-14-17-32(26)37(35,36)23-9-3-1-4-10-23)30-25-11-7-8-22-18-21(12-13-24(22)25)20-31-15-5-2-6-16-31/h1,3-4,9-10,12-13,18,25-26H,2,5-8,11,14-17,19-20H2,(H,29,34)(H,30,33)/t25-,26?/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.480n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO cells assessed as inhibition of agonist-induced calcium efflux by aquerin based ...


Bioorg Med Chem Lett 21: 3384-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.115
BindingDB Entry DOI: 10.7270/Q2FX79R6
More data for this
Ligand-Target Pair