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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)
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))
BDBM50244620
PNG
((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
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
138n/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))
BDBM50244620
PNG
((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
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 84.2n/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