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BDBM50067273 4-{(E)-2-[({[2,4-Dichloro-3-(6-methyl-pyridin-2-ylmethoxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide::CHEMBL133681

SMILES: CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COCc3cccc(C)n3)c2Cl)cc1

InChI Key: InChIKey=ZMLXJDYPBYYZKW-NTEUORMPSA-N

Data: 3 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 3 hits for monomerid = 50067273   
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))
BDBM50067273
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(6-methyl-pyridin-2-yl...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COCc3cccc(C)n3)c2Cl)cc1
Show InChI InChI=1S/C28H28Cl2N4O4/c1-18-5-4-6-21(33-18)16-38-17-22-23(29)12-13-24(27(22)30)34(3)26(36)15-32-25(35)14-9-19-7-10-20(11-8-19)28(37)31-2/h4-14H,15-17H2,1-3H3,(H,31,37)(H,32,35)/b14-9+
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Fujisawa Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition specific binding of [3H]BK (1.0 nM) to human Bradykinin receptor B2 which was expressed in CHO (Chinese hamster ovary) cells by 50%.


J Med Chem 41: 4062-79 (1998)


Article DOI: 10.1021/jm980300f
BindingDB Entry DOI: 10.7270/Q2RX9CS1
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50067273
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(6-methyl-pyridin-2-yl...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COCc3cccc(C)n3)c2Cl)cc1
Show InChI InChI=1S/C28H28Cl2N4O4/c1-18-5-4-6-21(33-18)16-38-17-22-23(29)12-13-24(27(22)30)34(3)26(36)15-32-25(35)14-9-19-7-10-20(11-8-19)28(37)31-2/h4-14H,15-17H2,1-3H3,(H,31,37)(H,32,35)/b14-9+
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Fujisawa Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit specific binding of [3H]BK (1.2 nM) to A-431 cells (human epidermoidcarcinoma) which express Bradykinin receptor B2...


J Med Chem 41: 4062-79 (1998)


Article DOI: 10.1021/jm980300f
BindingDB Entry DOI: 10.7270/Q2RX9CS1
More data for this
Ligand-Target Pair
Bradykinin B2 receptor


(Cavia porcellus)
BDBM50067273
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(6-methyl-pyridin-2-yl...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COCc3cccc(C)n3)c2Cl)cc1
Show InChI InChI=1S/C28H28Cl2N4O4/c1-18-5-4-6-21(33-18)16-38-17-22-23(29)12-13-24(27(22)30)34(3)26(36)15-32-25(35)14-9-19-7-10-20(11-8-19)28(37)31-2/h4-14H,15-17H2,1-3H3,(H,31,37)(H,32,35)/b14-9+
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Fujisawa Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit specific binding of [ 3H]BK (0.06 nM) to Bradykinin receptor B2 in guinea pig ileum membrane preparations by 50%.


J Med Chem 41: 4062-79 (1998)


Article DOI: 10.1021/jm980300f
BindingDB Entry DOI: 10.7270/Q2RX9CS1
More data for this
Ligand-Target Pair