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BDBM50272451 CHEMBL508043::N-((R)-7-((tert-butylamino)methyl)chroman-4-yl)-2-((R)-1-(3,4-dichlorophenylsulfonyl)-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamide

SMILES: CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=QODRQOSQUODVHZ-ZEQKJWHPSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50272451   
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))
BDBM50272451
PNG
(CHEMBL508043 | N-((R)-7-((tert-butylamino)methyl)c...)
Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C30H32Cl2N4O5S/c1-30(2,3)33-17-18-8-10-20-23(12-13-41-27(20)14-18)34-28(37)16-26-29(38)35-24-6-4-5-7-25(24)36(26)42(39,40)19-9-11-21(31)22(32)15-19/h4-11,14-15,23,26,33H,12-13,16-17H2,1-3H3,(H,34,37)(H,35,38)/t23-,26-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.10n/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))
BDBM50272451
PNG
(CHEMBL508043 | N-((R)-7-((tert-butylamino)methyl)c...)
Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C30H32Cl2N4O5S/c1-30(2,3)33-17-18-8-10-20-23(12-13-41-27(20)14-18)34-28(37)16-26-29(38)35-24-6-4-5-7-25(24)36(26)42(39,40)19-9-11-21(31)22(32)15-19/h4-11,14-15,23,26,33H,12-13,16-17H2,1-3H3,(H,34,37)(H,35,38)/t23-,26-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70n/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