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SMILES: C(COc1ccc(\C=C\c2nc3ccccc3s2)cc1)Cn1ccnc1

InChI Key: InChIKey=IMWQERYXDOHBQP-DHZHZOJOSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50367788   
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-transporting ATPase alpha chain 1/subunit beta


(Homo sapiens (Human))
BDBM50367788
PNG
(CHEMBL1202659)
Show SMILES C(COc1ccc(\C=C\c2nc3ccccc3s2)cc1)Cn1ccnc1
Show InChI InChI=1S/C21H19N3OS/c1-2-5-20-19(4-1)23-21(26-20)11-8-17-6-9-18(10-7-17)25-15-3-13-24-14-12-22-16-24/h1-2,4-12,14,16H,3,13,15H2/b11-8+
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 340n/an/an/an/an/an/a



Ortho Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by dibutyryl cyclic adenosine 3', 5...


J Med Chem 31: 1778-85 (1988)


BindingDB Entry DOI: 10.7270/Q20P10MZ
More data for this
Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta


(Homo sapiens (Human))
BDBM50367788
PNG
(CHEMBL1202659)
Show SMILES C(COc1ccc(\C=C\c2nc3ccccc3s2)cc1)Cn1ccnc1
Show InChI InChI=1S/C21H19N3OS/c1-2-5-20-19(4-1)23-21(26-20)11-8-17-6-9-18(10-7-17)25-15-3-13-24-14-12-22-16-24/h1-2,4-12,14,16H,3,13,15H2/b11-8+
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 130n/an/an/an/an/an/a



Ortho Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine


J Med Chem 31: 1778-85 (1988)


BindingDB Entry DOI: 10.7270/Q20P10MZ
More data for this
Ligand-Target Pair