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BDBM50067279 4-{(E)-2-[({[2,4-Dichloro-3-(3-methyl-quinoxalin-5-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide; hydrochloride::CHEMBL554206

SMILES: CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ncc(C)nc34)c2Cl)cc1

InChI Key: InChIKey=PVJZZAFFNLCXKU-NTEUORMPSA-N

Data: 5 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 5 hits for monomerid = 50067279   
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 B2 receptor


(Cavia porcellus)
BDBM50067279
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(3-methyl-quinoxalin-5...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ncc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C30H27Cl2N5O4/c1-18-15-34-23-5-4-6-25(29(23)36-18)41-17-21-22(31)12-13-24(28(21)32)37(3)27(39)16-35-26(38)14-9-19-7-10-20(11-8-19)30(40)33-2/h4-15H,16-17H2,1-3H3,(H,33,40)(H,35,38)/b14-9+
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/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
BDKRB2


(Homo sapiens (Human))
BDBM50067279
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(3-methyl-quinoxalin-5...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ncc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C30H27Cl2N5O4/c1-18-15-34-23-5-4-6-25(29(23)36-18)41-17-21-22(31)12-13-24(28(21)32)37(3)27(39)16-35-26(38)14-9-19-7-10-20(11-8-19)30(40)33-2/h4-15H,16-17H2,1-3H3,(H,33,40)(H,35,38)/b14-9+
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.10n/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
BDKRB2


(Homo sapiens (Human))
BDBM50067279
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(3-methyl-quinoxalin-5...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ncc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C30H27Cl2N5O4/c1-18-15-34-23-5-4-6-25(29(23)36-18)41-17-21-22(31)12-13-24(28(21)32)37(3)27(39)16-35-26(38)14-9-19-7-10-20(11-8-19)30(40)33-2/h4-15H,16-17H2,1-3H3,(H,33,40)(H,35,38)/b14-9+
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.20n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards human bradykinin receptor B2 expressed in CHO cells using [3H]BK (1.0 nM) as a radioligand


J Med Chem 47: 1617-30 (2004)


Article DOI: 10.1021/jm030159x
BindingDB Entry DOI: 10.7270/Q2P55P89
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50067279
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(3-methyl-quinoxalin-5...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ncc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C30H27Cl2N5O4/c1-18-15-34-23-5-4-6-25(29(23)36-18)41-17-21-22(31)12-13-24(28(21)32)37(3)27(39)16-35-26(38)14-9-19-7-10-20(11-8-19)30(40)33-2/h4-15H,16-17H2,1-3H3,(H,33,40)(H,35,38)/b14-9+
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards bradykinin receptor B2 using [3H]BK (0.06 nM) as a radioligand in guinea pig ileum membrane preparation


J Med Chem 47: 1617-30 (2004)


Article DOI: 10.1021/jm030159x
BindingDB Entry DOI: 10.7270/Q2P55P89
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))
BDBM50067279
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(3-methyl-quinoxalin-5...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ncc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C30H27Cl2N5O4/c1-18-15-34-23-5-4-6-25(29(23)36-18)41-17-21-22(31)12-13-24(28(21)32)37(3)27(39)16-35-26(38)14-9-19-7-10-20(11-8-19)30(40)33-2/h4-15H,16-17H2,1-3H3,(H,33,40)(H,35,38)/b14-9+
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.20n/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