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BDBM50272477 2-((R)-1-(3,4-dichlorophenylsulfonyl)-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)-N-((R)-7-(hydroxymethyl)chroman-4-yl)acetamide::CHEMBL498488

SMILES: OCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=GJQQEGUAGOQSDK-NFBKMPQASA-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 = 50272477   
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))
BDBM50272477
PNG
(2-((R)-1-(3,4-dichlorophenylsulfonyl)-3-oxo-1,2,3,...)
Show SMILES OCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C26H23Cl2N3O6S/c27-18-8-6-16(12-19(18)28)38(35,36)31-22-4-2-1-3-21(22)30-26(34)23(31)13-25(33)29-20-9-10-37-24-11-15(14-32)5-7-17(20)24/h1-8,11-12,20,23,32H,9-10,13-14H2,(H,29,33)(H,30,34)/t20-,23-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
86n/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 CHO-D-/aequorin cells by rapid filtration technique


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50272477
PNG
(2-((R)-1-(3,4-dichlorophenylsulfonyl)-3-oxo-1,2,3,...)
Show SMILES OCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C26H23Cl2N3O6S/c27-18-8-6-16(12-19(18)28)38(35,36)31-22-4-2-1-3-21(22)30-26(34)23(31)13-25(33)29-20-9-10-37-24-11-15(14-32)5-7-17(20)24/h1-8,11-12,20,23,32H,9-10,13-14H2,(H,29,33)(H,30,34)/t20-,23-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 62n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair