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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11' and Ligand = 'BDBM50475953'   
Target/Host
(Institution)
LigandTarget/Host
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
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50475953
PNG
(CHEMBL384564)
Show SMILES CC[C@@H]1OC(O)=C2[C@@H](C3=C(COCC3=O)N=C12)c1ccc(F)c(Br)c1 |t:5,8,16|
Show InChI InChI=1S/C18H15BrFNO4/c1-2-13-17-16(18(23)25-13)14(8-3-4-10(20)9(19)5-8)15-11(21-17)6-24-7-12(15)22/h3-5,13-14,23H,2,6-7H2,1H3/t13-,14+/m0/s1
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PC sid
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n/an/an/an/a 145n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to open human urinary bladder Kir6.2 channel containing SUR2B in Ltk cells by FLIPR assay


J Med Chem 49: 6869-87 (2006)


Article DOI: 10.1021/jm060549u
BindingDB Entry DOI: 10.7270/Q2X069S9
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50475953
PNG
(CHEMBL384564)
Show SMILES CC[C@@H]1OC(O)=C2[C@@H](C3=C(COCC3=O)N=C12)c1ccc(F)c(Br)c1 |t:5,8,16|
Show InChI InChI=1S/C18H15BrFNO4/c1-2-13-17-16(18(23)25-13)14(8-3-4-10(20)9(19)5-8)15-11(21-17)6-24-7-12(15)22/h3-5,13-14,23H,2,6-7H2,1H3/t13-,14+/m0/s1
PDB

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PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.89n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to open human urinary bladder Kir6.2 channel containing SUR2B in Ltk cells by FLIPR assay


J Med Chem 49: 6869-87 (2006)


Article DOI: 10.1021/jm060549u
BindingDB Entry DOI: 10.7270/Q2X069S9
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50475953
PNG
(CHEMBL384564)
Show SMILES CC[C@@H]1OC(O)=C2[C@@H](C3=C(COCC3=O)N=C12)c1ccc(F)c(Br)c1 |t:5,8,16|
Show InChI InChI=1S/C18H15BrFNO4/c1-2-13-17-16(18(23)25-13)14(8-3-4-10(20)9(19)5-8)15-11(21-17)6-24-7-12(15)22/h3-5,13-14,23H,2,6-7H2,1H3/t13-,14+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 144n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to open human urinary bladder Kir6.2 channel containing SUR2B in Ltk cells by FLIPR assay


J Med Chem 49: 6869-87 (2006)


Article DOI: 10.1021/jm060549u
BindingDB Entry DOI: 10.7270/Q2X069S9
More data for this
Ligand-Target Pair