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BDBM50209733 (R)-N-((R)-7-((methylamino)methyl)chroman-4-yl)-3-(naphthalene-3-sulfonamido)-3-phenylpropanamide::CHEMBL228014

SMILES: CNCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1

InChI Key: InChIKey=YBOAHXRPMWWGKO-VSGBNLITSA-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 = 50209733   
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))
BDBM50209733
PNG
((R)-N-((R)-7-((methylamino)methyl)chroman-4-yl)-3-...)
Show SMILES CNCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C30H31N3O4S/c1-31-20-21-11-14-26-27(15-16-37-29(26)17-21)32-30(34)19-28(23-8-3-2-4-9-23)33-38(35,36)25-13-12-22-7-5-6-10-24(22)18-25/h2-14,17-18,27-28,31,33H,15-16,19-20H2,1H3,(H,32,34)/t27-,28-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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 CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209733
PNG
((R)-N-((R)-7-((methylamino)methyl)chroman-4-yl)-3-...)
Show SMILES CNCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C30H31N3O4S/c1-31-20-21-11-14-26-27(15-16-37-29(26)17-21)32-30(34)19-28(23-8-3-2-4-9-23)33-38(35,36)25-13-12-22-7-5-6-10-24(22)18-25/h2-14,17-18,27-28,31,33H,15-16,19-20H2,1H3,(H,32,34)/t27-,28-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 212n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHOD cellsassessed as effect on DAK-induced calcium flux


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair