Found 4 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50142902
(CHEMBL3760108)Show SMILES [H][C@@]12C[C@@]1(Cn1c(c(C3CCCCC3)c3ccc(cc13)C(=O)NS(=O)(=O)CC(C)C)-c1ccc(OC)cc21)C(=O)N1C2CCC1CN(C)C2 |r| Show InChI InChI=1S/C38H48N4O5S/c1-23(2)21-48(45,46)39-36(43)25-10-14-30-33(16-25)41-22-38(37(44)42-26-11-12-27(42)20-40(3)19-26)18-32(38)31-17-28(47-4)13-15-29(31)35(41)34(30)24-8-6-5-7-9-24/h10,13-17,23-24,26-27,32H,5-9,11-12,18-22H2,1-4H3,(H,39,43)/t26?,27?,32-,38-/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/a | n/a | 1.66E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by FLIPR assay |
Bioorg Med Chem Lett 26: 936-40 (2016)
Article DOI: 10.1016/j.bmcl.2015.12.058
BindingDB Entry DOI: 10.7270/Q2ZG6V33 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50448498
(BMS-791325 | Beclabuvir)Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3C[C@]3(C[C@H]3c2c1)C(=O)N1C2CCC1CN(C)C2)C(=O)NS(=O)(=O)N(C)C |r,THB:36:35:29:31.32| Show InChI InChI=1S/C36H45N5O5S/c1-38(2)47(44,45)37-34(42)23-10-14-28-31(16-23)40-21-36(35(43)41-24-11-12-25(41)20-39(3)19-24)18-30(36)29-17-26(46-4)13-15-27(29)33(40)32(28)22-8-6-5-7-9-22/h10,13-17,22,24-25,30H,5-9,11-12,18-21H2,1-4H3,(H,37,42)/t24?,25?,30-,36-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by FLIPR assay |
Bioorg Med Chem Lett 26: 936-40 (2016)
Article DOI: 10.1016/j.bmcl.2015.12.058
BindingDB Entry DOI: 10.7270/Q2ZG6V33 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50142900
(CHEMBL3759768)Show SMILES [H][C@@]12C[C@@]1(Cn1c(c(C3CCCCC3)c3ccc(cc13)C(=O)NS(=O)(=O)C1CCC1)-c1ccc(OC)cc21)C(=O)N1C2CCC1CN(C)C2 |r| Show InChI InChI=1S/C38H46N4O5S/c1-40-20-25-12-13-26(21-40)42(25)37(44)38-19-32(38)31-18-27(47-2)14-16-29(31)35-34(23-7-4-3-5-8-23)30-15-11-24(17-33(30)41(35)22-38)36(43)39-48(45,46)28-9-6-10-28/h11,14-18,23,25-26,28,32H,3-10,12-13,19-22H2,1-2H3,(H,39,43)/t25?,26?,32-,38-/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/a | n/a | 3.81E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by FLIPR assay |
Bioorg Med Chem Lett 26: 936-40 (2016)
Article DOI: 10.1016/j.bmcl.2015.12.058
BindingDB Entry DOI: 10.7270/Q2ZG6V33 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50142901
(CHEMBL3758288)Show SMILES [H][C@@]12C[C@@]1(Cn1c(c(C3CCCCC3)c3ccc(cc13)C(=O)NS(=O)(=O)C(C)C)-c1ccc(OC)cc21)C(=O)N1C2CCC1CN(C)C2 |r| Show InChI InChI=1S/C37H46N4O5S/c1-22(2)47(44,45)38-35(42)24-10-14-29-32(16-24)40-21-37(36(43)41-25-11-12-26(41)20-39(3)19-25)18-31(37)30-17-27(46-4)13-15-28(30)34(40)33(29)23-8-6-5-7-9-23/h10,13-17,22-23,25-26,31H,5-9,11-12,18-21H2,1-4H3,(H,38,42)/t25?,26?,31-,37-/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/a | n/a | 4.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by FLIPR assay |
Bioorg Med Chem Lett 26: 936-40 (2016)
Article DOI: 10.1016/j.bmcl.2015.12.058
BindingDB Entry DOI: 10.7270/Q2ZG6V33 |
More data for this
Ligand-Target Pair | |
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