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BDBM50067921 4-((E)-2-{[2',4'-Dimethyl-3'-(2-methyl-quinolin-8-yloxymethyl)-biphenyl-2-ylmethyl]-carbamoyl}-vinyl)-N-methyl-benzamide::CHEMBL140383

SMILES: CNC(=O)c1ccc(\C=C\C(=O)NCc2ccccc2-c2ccc(C)c(COc3cccc4ccc(C)nc34)c2C)cc1

InChI Key: InChIKey=AFUNWCBOHPULNY-LTGZKZEYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50067921   
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))
BDBM50067921
PNG
(4-((E)-2-{[2',4'-Dimethyl-3'-(2-methyl-quinolin-8-...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCc2ccccc2-c2ccc(C)c(COc3cccc4ccc(C)nc34)c2C)cc1
Show InChI InChI=1S/C37H35N3O3/c1-24-12-20-31(26(3)33(24)23-43-34-11-7-9-28-17-13-25(2)40-36(28)34)32-10-6-5-8-30(32)22-39-35(41)21-16-27-14-18-29(19-15-27)37(42)38-4/h5-21H,22-23H2,1-4H3,(H,38,42)(H,39,41)/b21-16+
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60n/an/an/an/an/an/a



Fujisawa Pharmaceutical Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the specific binding of [3H]BK to human recombinant Bradykinin receptor B2 expressed in CHO cells.


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)
BDBM50067921
PNG
(4-((E)-2-{[2',4'-Dimethyl-3'-(2-methyl-quinolin-8-...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCc2ccccc2-c2ccc(C)c(COc3cccc4ccc(C)nc34)c2C)cc1
Show InChI InChI=1S/C37H35N3O3/c1-24-12-20-31(26(3)33(24)23-43-34-11-7-9-28-17-13-25(2)40-36(28)34)32-10-6-5-8-30(32)22-39-35(41)21-16-27-14-18-29(19-15-27)37(42)38-4/h5-21H,22-23H2,1-4H3,(H,38,42)(H,39,41)/b21-16+
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30n/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