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SMILES: CCOc1cc(C)nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(cc4)C(=O)NC)c3Cl)cccc12

InChI Key: InChIKey=CCSPRTPOCFHQQR-LFIBNONCSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50146893   
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
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50146893
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(4-ethoxy-2-methyl-qui...)
Show SMILES CCOc1cc(C)nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(cc4)C(=O)NC)c3Cl)cccc12
Show InChI InChI=1S/C33H32Cl2N4O5/c1-5-43-28-17-20(2)38-32-23(28)7-6-8-27(32)44-19-24-25(34)14-15-26(31(24)35)39(4)30(41)18-37-29(40)16-11-21-9-12-22(13-10-21)33(42)36-3/h6-17H,5,18-19H2,1-4H3,(H,36,42)(H,37,40)/b16-11+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 34n/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)


Article DOI: 10.1021/acs.jmedchem.5b00982
BindingDB Entry DOI: 10.7270/Q2XS5X8K
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50146893
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(4-ethoxy-2-methyl-qui...)
Show SMILES CCOc1cc(C)nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(cc4)C(=O)NC)c3Cl)cccc12
Show InChI InChI=1S/C33H32Cl2N4O5/c1-5-43-28-17-20(2)38-32-23(28)7-6-8-27(32)44-19-24-25(34)14-15-26(31(24)35)39(4)30(41)18-37-29(40)16-11-21-9-12-22(13-10-21)33(42)36-3/h6-17H,5,18-19H2,1-4H3,(H,36,42)(H,37,40)/b16-11+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.190n/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


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
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50146893
PNG
(4-{(E)-2-[({[2,4-Dichloro-3-(4-ethoxy-2-methyl-qui...)
Show SMILES CCOc1cc(C)nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(cc4)C(=O)NC)c3Cl)cccc12
Show InChI InChI=1S/C33H32Cl2N4O5/c1-5-43-28-17-20(2)38-32-23(28)7-6-8-27(32)44-19-24-25(34)14-15-26(31(24)35)39(4)30(41)18-37-29(40)16-11-21-9-12-22(13-10-21)33(42)36-3/h6-17H,5,18-19H2,1-4H3,(H,36,42)(H,37,40)/b16-11+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 34n/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