Found 5 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)) | BDBM24226
(1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxypheny...)Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Fundacion MEDINA
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells coexpressing Kir2.3 after 30 mins by FluxOR based FLIPR assay |
J Nat Prod 75: 1210-4 (2012)
Article DOI: 10.1021/np3000987
BindingDB Entry DOI: 10.7270/Q22J6CXP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Fundacion MEDINA
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells coexpressing Kir2.3 after 30 mins by FluxOR based FLIPR assay |
J Nat Prod 75: 1210-4 (2012)
Article DOI: 10.1021/np3000987
BindingDB Entry DOI: 10.7270/Q22J6CXP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50389213
(CHEMBL2063169)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)[C@@H](C)CC |r| Show InChI InChI=1S/C32H44N4O4/c1-7-21(3)27-31(39)35(5)26(20-24-17-13-10-14-18-24)30(38)34-28(22(4)8-2)32(40)36(6)25(29(37)33-27)19-23-15-11-9-12-16-23/h9-18,21-22,25-28H,7-8,19-20H2,1-6H3,(H,33,37)(H,34,38)/t21-,22-,25-,26-,27-,28-/m0/s1 | 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 | >2.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fundacion MEDINA
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells coexpressing Kir2.3 after 30 mins by FluxOR based FLIPR assay |
J Nat Prod 75: 1210-4 (2012)
Article DOI: 10.1021/np3000987
BindingDB Entry DOI: 10.7270/Q22J6CXP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50389212
(CHEMBL2063168)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C31H42N4O4/c1-7-21(4)27-31(39)35(6)24(18-22-14-10-8-11-15-22)28(36)32-26(20(2)3)30(38)34(5)25(29(37)33-27)19-23-16-12-9-13-17-23/h8-17,20-21,24-27H,7,18-19H2,1-6H3,(H,32,36)(H,33,37)/t21-,24-,25-,26-,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.34E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fundacion MEDINA
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells coexpressing Kir2.3 after 30 mins by FluxOR based FLIPR assay |
J Nat Prod 75: 1210-4 (2012)
Article DOI: 10.1021/np3000987
BindingDB Entry DOI: 10.7270/Q22J6CXP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50389211
(CHEMBL2063167)Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C30H40N4O4/c1-19(2)25-29(37)33(5)24(18-22-15-11-8-12-16-22)28(36)32-26(20(3)4)30(38)34(6)23(27(35)31-25)17-21-13-9-7-10-14-21/h7-16,19-20,23-26H,17-18H2,1-6H3,(H,31,35)(H,32,36)/t23-,24-,25-,26-/m0/s1 | 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 | >2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Fundacion MEDINA
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in HEK293 cells coexpressing Kir2.3 after 30 mins by FluxOR based FLIPR assay |
J Nat Prod 75: 1210-4 (2012)
Article DOI: 10.1021/np3000987
BindingDB Entry DOI: 10.7270/Q22J6CXP |
More data for this
Ligand-Target Pair | |
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