new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50044526   
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
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50019902
PNG
(CHEMBL3287207)
Show SMILES CC(N1c2sccc2S(=O)(=O)CC1=O)c1ccc(F)c(OC(F)(F)F)c1
Show InChI InChI=1S/C15H11F4NO4S2/c1-8(9-2-3-10(16)11(6-9)24-15(17,18)19)20-13(21)7-26(22,23)12-4-5-25-14(12)20/h2-6,8H,7H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 39n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human KCa3.1 overexpressed in HEK293 cells assessed as thallium influx preincubated for 15 mins followed by thallium/ionomycin addition...


ACS Med Chem Lett 5: 460-1 (2014)


Article DOI: 10.1021/ml500090s
BindingDB Entry DOI: 10.7270/Q2RJ4M2T
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50019905
PNG
(CHEMBL3287210 | US9533999, ii-4)
Show SMILES CC(N1C(=O)CSc2cccnc12)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C16H13F3N2OS/c1-10(11-4-2-5-12(8-11)16(17,18)19)21-14(22)9-23-13-6-3-7-20-15(13)21/h2-8,10H,9H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 41n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human KCa3.1 overexpressed in HEK293 cells assessed as thallium influx preincubated for 15 mins followed by thallium/ionomycin addition...


ACS Med Chem Lett 5: 460-1 (2014)


Article DOI: 10.1021/ml500090s
BindingDB Entry DOI: 10.7270/Q2RJ4M2T
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50019903
PNG
(CHEMBL3287208 | US9533999, i-40)
Show SMILES Fc1ccc(CN2c3ccsc3S(=O)(=O)CC2=O)cc1OC(F)(F)F
Show InChI InChI=1S/C14H9F4NO4S2/c15-9-2-1-8(5-11(9)23-14(16,17)18)6-19-10-3-4-24-13(10)25(21,22)7-12(19)20/h1-5H,6-7H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 48n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human KCa3.1 overexpressed in HEK293 cells assessed as thallium influx preincubated for 15 mins followed by thallium/ionomycin addition...


ACS Med Chem Lett 5: 460-1 (2014)


Article DOI: 10.1021/ml500090s
BindingDB Entry DOI: 10.7270/Q2RJ4M2T
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50019900
PNG
(CHEMBL3287205 | US9533999, i-5)
Show SMILES Fc1ccc(CN2C(=O)CS(=O)(=O)c3cccnc23)cc1OC(F)(F)F
Show InChI InChI=1S/C15H10F4N2O4S/c16-10-4-3-9(6-11(10)25-15(17,18)19)7-21-13(22)8-26(23,24)12-2-1-5-20-14(12)21/h1-6H,7-8H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 49n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human KCa3.1 overexpressed in HEK293 cells assessed as thallium influx preincubated for 15 mins followed by thallium/ionomycin addition...


ACS Med Chem Lett 5: 460-1 (2014)


Article DOI: 10.1021/ml500090s
BindingDB Entry DOI: 10.7270/Q2RJ4M2T
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50019904
PNG
(CHEMBL3287209 | US9533999, ii-1)
Show SMILES FC(F)(F)Oc1cccc(CN2C(=O)CSc3cccnc23)c1
Show InChI InChI=1S/C15H11F3N2O2S/c16-15(17,18)22-11-4-1-3-10(7-11)8-20-13(21)9-23-12-5-2-6-19-14(12)20/h1-7H,8-9H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 52n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human KCa3.1 overexpressed in HEK293 cells assessed as thallium influx preincubated for 15 mins followed by thallium/ionomycin addition...


ACS Med Chem Lett 5: 460-1 (2014)


Article DOI: 10.1021/ml500090s
BindingDB Entry DOI: 10.7270/Q2RJ4M2T
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50019907
PNG
(CHEMBL3287212)
Show SMILES CC(N1c2scnc2SCC1=O)c1ccc(F)c(OC(F)(F)F)c1
Show InChI InChI=1S/C14H10F4N2O2S2/c1-7(20-11(21)5-23-12-13(20)24-6-19-12)8-2-3-9(15)10(4-8)22-14(16,17)18/h2-4,6-7H,5H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human KCa3.1 overexpressed in HEK293 cells assessed as thallium influx preincubated for 15 mins followed by thallium/ionomycin addition...


ACS Med Chem Lett 5: 460-1 (2014)


Article DOI: 10.1021/ml500090s
BindingDB Entry DOI: 10.7270/Q2RJ4M2T
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50019906
PNG
(CHEMBL3287211 | US9533999, ii-11)
Show SMILES OCc1ccc2SCC(=O)N(Cc3ccc(Cl)c(c3)C(F)(F)F)c2n1
Show InChI InChI=1S/C16H12ClF3N2O2S/c17-12-3-1-9(5-11(12)16(18,19)20)6-22-14(24)8-25-13-4-2-10(7-23)21-15(13)22/h1-5,23H,6-8H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 66n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human KCa3.1 overexpressed in HEK293 cells assessed as thallium influx preincubated for 15 mins followed by thallium/ionomycin addition...


ACS Med Chem Lett 5: 460-1 (2014)


Article DOI: 10.1021/ml500090s
BindingDB Entry DOI: 10.7270/Q2RJ4M2T
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50019901
PNG
(CHEMBL3287206 | US9533999, i-34)
Show SMILES CC(C)c1nc2N(Cc3ccc(F)c(OC(F)(F)F)c3)C(=O)CS(=O)(=O)c2s1
Show InChI InChI=1S/C16H14F4N2O4S2/c1-8(2)14-21-13-15(27-14)28(24,25)7-12(23)22(13)6-9-3-4-10(17)11(5-9)26-16(18,19)20/h3-5,8H,6-7H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 96n/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human KCa3.1 overexpressed in HEK293 cells assessed as thallium influx preincubated for 15 mins followed by thallium/ionomycin addition...


ACS Med Chem Lett 5: 460-1 (2014)


Article DOI: 10.1021/ml500090s
BindingDB Entry DOI: 10.7270/Q2RJ4M2T
More data for this
Ligand-Target Pair