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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Potassium-transporting ATPase subunit beta'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Potassium-transporting ATPase subunit beta


(Sus scrofa (Pig))
BDBM50073332
PNG
((2Z,4E)-5-(5,6-Dichloro-1H-indol-2-yl)-2-methoxy-p...)
Show SMILES CO\C(=C/C=C/c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NC1CC(C)(C)N(C)C(C)(C)C1
Show InChI InChI=1S/C24H31Cl2N3O2/c1-23(2)13-17(14-24(3,4)29(23)5)28-22(30)21(31-6)9-7-8-16-10-15-11-18(25)19(26)12-20(15)27-16/h7-12,17,27H,13-14H2,1-6H3,(H,28,30)/b8-7+,21-9-
PDB

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PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a 26.5n/an/an/an/an/an/a



SmithKline Beecham Research Unit

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of bafilomycin-sensitive ATPase activity in partially purified membrane preparation from chicken osteoclast ...


Bioorg Med Chem Lett 8: 3621-6 (1999)

More data for this
Ligand-Target Pair
Potassium-transporting ATPase subunit beta


(Sus scrofa (Pig))
BDBM50073331
PNG
((2Z,4Z)-5-(5,6-Dichloro-1H-indol-2-yl)-2-methoxy-p...)
Show SMILES CO\C(=C/C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NC1CC(C)(C)N(C)C(C)(C)C1
Show InChI InChI=1S/C24H31Cl2N3O2/c1-23(2)13-17(14-24(3,4)29(23)5)28-22(30)21(31-6)9-7-8-16-10-15-11-18(25)19(26)12-20(15)27-16/h7-12,17,27H,13-14H2,1-6H3,(H,28,30)/b8-7-,21-9-
PDB

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CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
PubMed
n/an/a 663n/an/an/an/an/an/a



SmithKline Beecham Research Unit

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of bafilomycin-sensitive ATPase activity in partially purified membrane preparation from chicken osteoclast ...


Bioorg Med Chem Lett 8: 3621-6 (1999)

More data for this
Ligand-Target Pair
Potassium-transporting ATPase subunit beta


(Sus scrofa (Pig))
BDBM50073333
PNG
((2E,4E)-5-(5,6-Dichloro-1H-indol-2-yl)-2-methoxy-p...)
Show SMILES CO\C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NC1CC(C)(C)N(C)C(C)(C)C1
Show InChI InChI=1S/C24H31Cl2N3O2/c1-23(2)13-17(14-24(3,4)29(23)5)28-22(30)21(31-6)9-7-8-16-10-15-11-18(25)19(26)12-20(15)27-16/h7-12,17,27H,13-14H2,1-6H3,(H,28,30)/b8-7+,21-9+
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
PubMed
n/an/a 2.36E+3n/an/an/an/an/an/a



SmithKline Beecham Research Unit

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of bafilomycin-sensitive ATPase activity in partially purified membrane preparation from chicken osteoclast ...


Bioorg Med Chem Lett 8: 3621-6 (1999)

More data for this
Ligand-Target Pair