new BindingDB logo
myBDB logout

BDBM50347009 CHEMBL1796062

SMILES: COCCCc1cc(Br)cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c1

InChI Key: InChIKey=CFPVAVIVMPQWCL-RPWUZVMVSA-N

Data: 1 KI  2 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 = 50347009   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50347009
PNG
(CHEMBL1796062)
Show SMILES COCCCc1cc(Br)cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c1 |r|
Show InChI InChI=1S/C26H34BrN3O3/c1-29-10-8-20(15-25(29)31)23-7-9-28-16-24(23)26(32)30(22-5-6-22)17-19-12-18(4-3-11-33-2)13-21(27)14-19/h8,10,12-15,22-24,28H,3-7,9,11,16-17H2,1-2H3/t23-,24+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
5.00E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 3970-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.013
BindingDB Entry DOI: 10.7270/Q2PN9608
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50347009
PNG
(CHEMBL1796062)
Show SMILES COCCCc1cc(Br)cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c1 |r|
Show InChI InChI=1S/C26H34BrN3O3/c1-29-10-8-20(15-25(29)31)23-7-9-28-16-24(23)26(32)30(22-5-6-22)17-19-12-18(4-3-11-33-2)13-21(27)14-19/h8,10,12-15,22-24,28H,3-7,9,11,16-17H2,1-2H3/t23-,24+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 3.5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of renin in human plasma using Q-FRET substrate pretreated for 10 mins before substrate addition measured after 1 hr


Bioorg Med Chem Lett 21: 3970-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.013
BindingDB Entry DOI: 10.7270/Q2PN9608
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50347009
PNG
(CHEMBL1796062)
Show SMILES COCCCc1cc(Br)cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c1 |r|
Show InChI InChI=1S/C26H34BrN3O3/c1-29-10-8-20(15-25(29)31)23-7-9-28-16-24(23)26(32)30(22-5-6-22)17-19-12-18(4-3-11-33-2)13-21(27)14-19/h8,10,12-15,22-24,28H,3-7,9,11,16-17H2,1-2H3/t23-,24+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of renin in human plasma using Q-FRET substrate pretreated for 10 mins before substrate addition measured after 1 hr


Bioorg Med Chem Lett 21: 3970-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.013
BindingDB Entry DOI: 10.7270/Q2PN9608
More data for this
Ligand-Target Pair