new BindingDB logo
myBDB logout

BDBM50347006 CHEMBL1795908

SMILES: Cn1ccc(cc1=O)[C@H]1CCNC[C@@H]1C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1

InChI Key: InChIKey=MKZFUCULUUTWOC-MSOLQXFVSA-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 = 50347006   
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))
BDBM50347006
PNG
(CHEMBL1795908)
Show SMILES Cn1ccc(cc1=O)[C@H]1CCNC[C@@H]1C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1 |r|
Show InChI InChI=1S/C22H25Cl2N3O2/c1-26-10-8-14(11-20(26)28)17-7-9-25-12-18(17)22(29)27(16-5-6-16)13-15-3-2-4-19(23)21(15)24/h2-4,8,10-11,16-18,25H,5-7,9,12-13H2,1H3/t17-,18+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
1.30E+4n/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))
BDBM50347006
PNG
(CHEMBL1795908)
Show SMILES Cn1ccc(cc1=O)[C@H]1CCNC[C@@H]1C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1 |r|
Show InChI InChI=1S/C22H25Cl2N3O2/c1-26-10-8-14(11-20(26)28)17-7-9-25-12-18(17)22(29)27(16-5-6-16)13-15-3-2-4-19(23)21(15)24/h2-4,8,10-11,16-18,25H,5-7,9,12-13H2,1H3/t17-,18+/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 20n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Q-FRET substrate after 3 hrs by fluorescence assay


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))
BDBM50347006
PNG
(CHEMBL1795908)
Show SMILES Cn1ccc(cc1=O)[C@H]1CCNC[C@@H]1C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1 |r|
Show InChI InChI=1S/C22H25Cl2N3O2/c1-26-10-8-14(11-20(26)28)17-7-9-25-12-18(17)22(29)27(16-5-6-16)13-15-3-2-4-19(23)21(15)24/h2-4,8,10-11,16-18,25H,5-7,9,12-13H2,1H3/t17-,18+/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 42n/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