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BDBM50344090 2-(1-(2-chlorophenylsulfonyl)-3-oxopiperazin-2-yl)-N-((R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide::CHEMBL1777882

SMILES: Clc1ccccc1S(=O)(=O)N1CCNC(=O)C1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12

InChI Key: InChIKey=WJYAGHJKWDXOJY-IKOFQBKESA-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 = 50344090   
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))
BDBM50344090
PNG
(2-(1-(2-chlorophenylsulfonyl)-3-oxopiperazin-2-yl)...)
Show SMILES Clc1ccccc1S(=O)(=O)N1CCNC(=O)C1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C28H35ClN4O4S/c29-23-8-2-3-10-26(23)38(36,37)33-16-13-30-28(35)25(33)18-27(34)31-24-9-6-7-21-17-20(11-12-22(21)24)19-32-14-4-1-5-15-32/h2-3,8,10-12,17,24-25H,1,4-7,9,13-16,18-19H2,(H,30,35)(H,31,34)/t24-,25?/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.410n/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))
BDBM50344090
PNG
(2-(1-(2-chlorophenylsulfonyl)-3-oxopiperazin-2-yl)...)
Show SMILES Clc1ccccc1S(=O)(=O)N1CCNC(=O)C1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C28H35ClN4O4S/c29-23-8-2-3-10-26(23)38(36,37)33-16-13-30-28(35)25(33)18-27(34)31-24-9-6-7-21-17-20(11-12-22(21)24)19-32-14-4-1-5-15-32/h2-3,8,10-12,17,24-25H,1,4-7,9,13-16,18-19H2,(H,30,35)(H,31,34)/t24-,25?/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.550n/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