BindingDB logo
myBDB logout

BDBM50067281 4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide; hydrochloride::CHEMBL439737::CHEMBL542096

SMILES: CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)cc1

InChI Key: InChIKey=XZERMVBWFJENLS-MHWRWJLKSA-N

Data: 14 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 14 hits for monomerid = 50067281   
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))		BDBM50067281
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-quinolin-8-y...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C31H28Cl2N4O4/c1-19-7-11-21-5-4-6-26(30(21)36-19)41-18-23-24(32)14-15-25(29(23)33)37(3)28(39)17-35-27(38)16-10-20-8-12-22(13-9-20)31(40)34-2/h4-16H,17-18H2,1-3H3,(H,34,40)(H,35,38)/b16-10+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.30n/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)		BDBM50067281
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-quinolin-8-y...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C31H28Cl2N4O4/c1-19-7-11-21-5-4-6-26(30(21)36-19)41-18-23-24(32)14-15-25(29(23)33)37(3)28(39)17-35-27(38)16-10-20-8-12-22(13-9-20)31(40)34-2/h4-16H,17-18H2,1-3H3,(H,34,40)(H,35,38)/b16-10+
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 0.510n/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
Bradykinin B2 receptor


(Cavia porcellus)		BDBM50067281
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-quinolin-8-y...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C31H28Cl2N4O4/c1-19-7-11-21-5-4-6-26(30(21)36-19)41-18-23-24(32)14-15-25(29(23)33)37(3)28(39)17-35-27(38)16-10-20-8-12-22(13-9-20)31(40)34-2/h4-16H,17-18H2,1-3H3,(H,34,40)(H,35,38)/b16-10+
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 0.510n/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
BDKRB2


(Homo sapiens (Human))		BDBM50067281
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-quinolin-8-y...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C31H28Cl2N4O4/c1-19-7-11-21-5-4-6-26(30(21)36-19)41-18-23-24(32)14-15-25(29(23)33)37(3)28(39)17-35-27(38)16-10-20-8-12-22(13-9-20)31(40)34-2/h4-16H,17-18H2,1-3H3,(H,34,40)(H,35,38)/b16-10+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.10n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...

J Med Chem 59: 810-40 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5X8K
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))		BDBM50067281
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-quinolin-8-y...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C31H28Cl2N4O4/c1-19-7-11-21-5-4-6-26(30(21)36-19)41-18-23-24(32)14-15-25(29(23)33)37(3)28(39)17-35-27(38)16-10-20-8-12-22(13-9-20)31(40)34-2/h4-16H,17-18H2,1-3H3,(H,34,40)(H,35,38)/b16-10+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.10n/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))		BDBM50067281
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-quinolin-8-y...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C31H28Cl2N4O4/c1-19-7-11-21-5-4-6-26(30(21)36-19)41-18-23-24(32)14-15-25(29(23)33)37(3)28(39)17-35-27(38)16-10-20-8-12-22(13-9-20)31(40)34-2/h4-16H,17-18H2,1-3H3,(H,34,40)(H,35,38)/b16-10+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.10n/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
BDKRB2


(Homo sapiens (Human))		BDBM50067281
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-quinolin-8-y...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C31H28Cl2N4O4/c1-19-7-11-21-5-4-6-26(30(21)36-19)41-18-23-24(32)14-15-25(29(23)33)37(3)28(39)17-35-27(38)16-10-20-8-12-22(13-9-20)31(40)34-2/h4-16H,17-18H2,1-3H3,(H,34,40)(H,35,38)/b16-10+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.510n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit specific binding of [3H]-BK(0.06 nM) to the bradykinin receptor B2 in guinea pig ileum membrane

J Med Chem 47: 2853-63 (2004)


Article DOI: 10.1021/jm030468n
BindingDB Entry DOI: 10.7270/Q2JM2BCM
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))		BDBM50067281
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-quinolin-8-y...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C31H28Cl2N4O4/c1-19-7-11-21-5-4-6-26(30(21)36-19)41-18-23-24(32)14-15-25(29(23)33)37(3)28(39)17-35-27(38)16-10-20-8-12-22(13-9-20)31(40)34-2/h4-16H,17-18H2,1-3H3,(H,34,40)(H,35,38)/b16-10+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.510n/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))		BDBM50067281
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-quinolin-8-y...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C31H28Cl2N4O4/c1-19-7-11-21-5-4-6-26(30(21)36-19)41-18-23-24(32)14-15-25(29(23)33)37(3)28(39)17-35-27(38)16-10-20-8-12-22(13-9-20)31(40)34-2/h4-16H,17-18H2,1-3H3,(H,34,40)(H,35,38)/b16-10+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.10n/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))		BDBM50067281
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-quinolin-8-y...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C31H28Cl2N4O4/c1-19-7-11-21-5-4-6-26(30(21)36-19)41-18-23-24(32)14-15-25(29(23)33)37(3)28(39)17-35-27(38)16-10-20-8-12-22(13-9-20)31(40)34-2/h4-16H,17-18H2,1-3H3,(H,34,40)(H,35,38)/b16-10+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.10n/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))		BDBM50067281
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-quinolin-8-y...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C31H28Cl2N4O4/c1-19-7-11-21-5-4-6-26(30(21)36-19)41-18-23-24(32)14-15-25(29(23)33)37(3)28(39)17-35-27(38)16-10-20-8-12-22(13-9-20)31(40)34-2/h4-16H,17-18H2,1-3H3,(H,34,40)(H,35,38)/b16-10+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.510n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [3H]BK at 0.06 nM to bradykinin receptor B2 in guinea pig ileum membrane preparations by 50%.

J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))		BDBM50067281
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-quinolin-8-y...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C31H28Cl2N4O4/c1-19-7-11-21-5-4-6-26(30(21)36-19)41-18-23-24(32)14-15-25(29(23)33)37(3)28(39)17-35-27(38)16-10-20-8-12-22(13-9-20)31(40)34-2/h4-16H,17-18H2,1-3H3,(H,34,40)(H,35,38)/b16-10+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co Ltd

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [3H]BK at 1 nM to human bradykinin receptor B2 expressed in CHO cells by 50%.

J Med Chem 47: 2667-77 (2004)


Article DOI: 10.1021/jm030326t
BindingDB Entry DOI: 10.7270/Q2B27W2Q
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))		BDBM50067281
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-quinolin-8-y...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C31H28Cl2N4O4/c1-19-7-11-21-5-4-6-26(30(21)36-19)41-18-23-24(32)14-15-25(29(23)33)37(3)28(39)17-35-27(38)16-10-20-8-12-22(13-9-20)31(40)34-2/h4-16H,17-18H2,1-3H3,(H,34,40)(H,35,38)/b16-10+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]BK (1.0 nM) binding to the human bradykinin receptor B2, expressed in CHO cells

J Med Chem 47: 2853-63 (2004)


Article DOI: 10.1021/jm030468n
BindingDB Entry DOI: 10.7270/Q2JM2BCM
More data for this
Ligand-Target Pair
BDKRB2


(Homo sapiens (Human))		BDBM50067281
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(2-methyl-quinolin-8-y...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C31H28Cl2N4O4/c1-19-7-11-21-5-4-6-26(30(21)36-19)41-18-23-24(32)14-15-25(29(23)33)37(3)28(39)17-35-27(38)16-10-20-8-12-22(13-9-20)31(40)34-2/h4-16H,17-18H2,1-3H3,(H,34,40)(H,35,38)/b16-10+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.510n/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