BindingDB logo
myBDB logout

BDBM50067932 (E)-N-({Methyl-[3-(2-methyl-quinolin-8-yloxymethyl)-2,4-bis-(2-oxo-pyrrolidin-1-yl)-phenyl]-carbamoyl}-methyl)-3-[4-(2-oxo-pyrrolidin-1-yl)-phenyl]-acrylamide; hydrochloride::CHEMBL543685

SMILES: CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)N1CCCC1=O)c1ccc(N2CCCC2=O)c(COc2cccc3ccc(C)nc23)c1N1CCCC1=O

InChI Key: InChIKey=UQWMCHJPCGZRAA-RCCKNPSSSA-N

Data: 2 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 = 50067932   
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
BDKRB2


(Homo sapiens (Human))
BDBM50067932
PNG
((E)-N-({Methyl-[3-(2-methyl-quinolin-8-yloxymethyl...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)N1CCCC1=O)c1ccc(N2CCCC2=O)c(COc2cccc3ccc(C)nc23)c1N1CCCC1=O
Show InChI InChI=1S/C41H42N6O6/c1-27-12-16-29-7-3-8-34(40(29)43-27)53-26-31-32(46-23-5-10-37(46)50)19-20-33(41(31)47-24-6-11-38(47)51)44(2)39(52)25-42-35(48)21-15-28-13-17-30(18-14-28)45-22-4-9-36(45)49/h3,7-8,12-21H,4-6,9-11,22-26H2,1-2H3,(H,42,48)/b21-15+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



Fujisawa Pharmaceutical Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the specific binding of [3H]BK to Bradykinin receptor B2 in guinea pig ileum membrane preparations


J Med Chem 41: 4587-98 (1998)


Article DOI: 10.1021/jm980330i
BindingDB Entry DOI: 10.7270/Q2ZK5HBR
More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50067932
PNG
((E)-N-({Methyl-[3-(2-methyl-quinolin-8-yloxymethyl...)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)N1CCCC1=O)c1ccc(N2CCCC2=O)c(COc2cccc3ccc(C)nc23)c1N1CCCC1=O
Show InChI InChI=1S/C41H42N6O6/c1-27-12-16-29-7-3-8-34(40(29)43-27)53-26-31-32(46-23-5-10-37(46)50)19-20-33(41(31)47-24-6-11-38(47)51)44(2)39(52)25-42-35(48)21-15-28-13-17-30(18-14-28)45-22-4-9-36(45)49/h3,7-8,12-21H,4-6,9-11,22-26H2,1-2H3,(H,42,48)/b21-15+
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.550n/an/an/an/an/an/a



Fujisawa Pharmaceutical Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the specific binding of [3H]BK to Bradykinin receptor B2 in guinea pig ileum membrane preparations


J Med Chem 41: 4587-98 (1998)


Article DOI: 10.1021/jm980330i
BindingDB Entry DOI: 10.7270/Q2ZK5HBR
More data for this
Ligand-Target Pair