BindingDB logo
myBDB logout

PubMed code 24900889

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50020250
PNG
(CHEMBL3288810)
Show SMILES Cl.COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |(25.71,-8.1,;5.32,-5.97,;5.32,-7.51,;6.66,-8.28,;6.65,-9.83,;7.99,-10.6,;9.32,-9.82,;10.66,-10.59,;11.99,-9.81,;11.98,-8.26,;11.97,-6.72,;10.65,-7.5,;10.64,-5.96,;11.97,-5.19,;13.3,-5.95,;13.3,-7.49,;14.63,-8.25,;15.97,-7.48,;15.28,-6.35,;14.06,-7.27,;15.96,-5.94,;14.62,-5.17,;17.29,-8.27,;17.28,-9.81,;18.6,-10.59,;19.93,-9.84,;21.25,-10.62,;21.24,-12.16,;22.57,-12.94,;22.54,-14.49,;21.2,-15.24,;21.18,-16.78,;19.88,-14.45,;19.9,-12.92,;18.57,-12.13,;9.32,-8.28,;7.98,-7.51,)|
Show InChI InChI=1S/C26H28FN5O4.ClH/c1-34-22-5-3-19-23(32-22)17(18(27)13-28-19)6-7-26-10-8-25(9-11-26,15-36-26)29-12-16-2-4-20-24(30-16)31-21(33)14-35-20;/h2-5,13,29H,6-12,14-15H2,1H3,(H,30,31,33);1H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by automated patch clamp assay

ACS Med Chem Lett 5: 609-14 (2014)


Article DOI: 10.1021/ml500069w
BindingDB Entry DOI: 10.7270/Q2PK0HQ9
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50020251
PNG
(CHEMBL3288811)
Show SMILES COc1ccc2ncc(F)c(C[C@H](O)C34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1 |r|
Show InChI InChI=1S/C26H28FN5O5.ClH/c1-35-22-5-3-18-23(32-22)16(17(27)12-28-18)10-20(33)26-8-6-25(7-9-26,14-37-26)29-11-15-2-4-19-24(30-15)31-21(34)13-36-19;/h2-5,12,20,29,33H,6-11,13-14H2,1H3,(H,30,31,34);1H/t20-,25?,26?;/m0./s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by automated patch clamp assay

ACS Med Chem Lett 5: 609-14 (2014)


Article DOI: 10.1021/ml500069w
BindingDB Entry DOI: 10.7270/Q2PK0HQ9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%