Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 14 entry = 50031179 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)) | BDBM50308562
((+/-)-3-(4-((2S,3R)-3-hydroxybutan-2-yl)piperazin-...)Show SMILES CCCOCCn1c2cc(ncc2nc(N2CCN(CC2)[C@@H](C)[C@@H](C)O)c1=O)-c1ccc(OC)nc1 |r| Show InChI InChI=1S/C26H36N6O4/c1-5-13-36-14-12-32-23-15-21(20-6-7-24(35-4)28-16-20)27-17-22(23)29-25(26(32)34)31-10-8-30(9-11-31)18(2)19(3)33/h6-7,15-19,33H,5,8-14H2,1-4H3/t18-,19+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch-clamp method |
J Med Chem 53: 2656-60 (2010)
Article DOI: 10.1021/jm901781q
BindingDB Entry DOI: 10.7270/Q2VM4CCK |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50308564
((R)-3-(4-(2-hydroxypropyl)piperazin-1-yl)-1-(2-iso...)Show SMILES CCCOCCn1c2cc(ncc2nc(N2CCN(C[C@@H](C)O)CC2)c1=O)-c1ccc(OC)nc1 |r| Show InChI InChI=1S/C25H34N6O4/c1-4-12-35-13-11-31-22-14-20(19-5-6-23(34-3)27-15-19)26-16-21(22)28-24(25(31)33)30-9-7-29(8-10-30)17-18(2)32/h5-6,14-16,18,32H,4,7-13,17H2,1-3H3/t18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch-clamp method |
J Med Chem 53: 2656-60 (2010)
Article DOI: 10.1021/jm901781q
BindingDB Entry DOI: 10.7270/Q2VM4CCK |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50308558
(3-(4-ethylpiperazin-1-yl)-1-(2-propoxyethyl)-7-(6-...)Show SMILES CCCOCCn1c2cc(ncc2nc(N2CCN(CC)CC2)c1=O)-c1ccc(OC)nc1 Show InChI InChI=1S/C24H32N6O3/c1-4-13-33-14-12-30-21-15-19(18-6-7-22(32-3)26-16-18)25-17-20(21)27-23(24(30)31)29-10-8-28(5-2)9-11-29/h6-7,15-17H,4-5,8-14H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch-clamp method |
J Med Chem 53: 2656-60 (2010)
Article DOI: 10.1021/jm901781q
BindingDB Entry DOI: 10.7270/Q2VM4CCK |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50308560
(3-(2-(2-hydroxyethylamino)ethylamino)-1-(2-propoxy...)Show SMILES CCCOCCn1c2cc(ncc2nc(N2CCNCC2)c1=O)-c1ccc(OC)nc1 Show InChI InChI=1S/C22H28N6O3/c1-3-11-31-12-10-28-19-13-17(16-4-5-20(30-2)25-14-16)24-15-18(19)26-21(22(28)29)27-8-6-23-7-9-27/h4-5,13-15,23H,3,6-12H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch-clamp method |
J Med Chem 53: 2656-60 (2010)
Article DOI: 10.1021/jm901781q
BindingDB Entry DOI: 10.7270/Q2VM4CCK |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50308557
(3-(4-(2-hydroxyethyl)piperazin-1-yl)-1-(2-propoxye...)Show SMILES CCCOCCn1c2cc(ncc2nc(N2CCN(CCO)CC2)c1=O)-c1ccc(OC)nc1 Show InChI InChI=1S/C24H32N6O4/c1-3-13-34-14-11-30-21-15-19(18-4-5-22(33-2)26-16-18)25-17-20(21)27-23(24(30)32)29-8-6-28(7-9-29)10-12-31/h4-5,15-17,31H,3,6-14H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.79E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch-clamp method |
J Med Chem 53: 2656-60 (2010)
Article DOI: 10.1021/jm901781q
BindingDB Entry DOI: 10.7270/Q2VM4CCK |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50300958
(3-(2-(2-hydroxyethylamino)ethylamino)-7-(6-methoxy...)Show SMILES CCCOCCn1c2cc(ncc2nc(NCCNCCO)c1=O)-c1ccc(OC)nc1 Show InChI InChI=1S/C22H30N6O4/c1-3-11-32-12-9-28-19-13-17(16-4-5-20(31-2)26-14-16)25-15-18(19)27-21(22(28)30)24-7-6-23-8-10-29/h4-5,13-15,23,29H,3,6-12H2,1-2H3,(H,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by patch-clamp method |
J Med Chem 53: 2656-60 (2010)
Article DOI: 10.1021/jm901781q
BindingDB Entry DOI: 10.7270/Q2VM4CCK |
More data for this
Ligand-Target Pair | |
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