Found 7 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 |
|---|
Voltage-dependent T-type calcium channel subunit alpha-1I
(Homo sapiens (Human)) | BDBM50392769
(CHEMBL2151147)Show SMILES C[C@@H](NC(=O)Cc1ccc(cc1)-c1nccnc1C)c1ccc(OCC(F)(F)F)cn1 |r| Show InChI InChI=1S/C22H21F3N4O2/c1-14(19-8-7-18(12-28-19)31-13-22(23,24)25)29-20(30)11-16-3-5-17(6-4-16)21-15(2)26-9-10-27-21/h3-10,12,14H,11,13H2,1-2H3,(H,29,30)/t14-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 264 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at Cav3.3 at -80 mV holding potential by whole cell patch clamp analysis |
ACS Med Chem Lett 1: 504-509 (2010)
Article DOI: 10.1021/ml100170e
BindingDB Entry DOI: 10.7270/Q2QZ2C20 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50392766
(CHEMBL2151144)Show SMILES C[C@@H](NC(=O)Cc1ccc(cc1)N1CC[C@H](F)C1)c1ccc(OCC(F)(F)F)cn1 |r| Show InChI InChI=1S/C21H23F4N3O2/c1-14(19-7-6-18(11-26-19)30-13-21(23,24)25)27-20(29)10-15-2-4-17(5-3-15)28-9-8-16(22)12-28/h2-7,11,14,16H,8-10,12-13H2,1H3,(H,27,29)/t14-,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3S]MK499 from human ERG in HEK293 cells |
ACS Med Chem Lett 1: 504-509 (2010)
Article DOI: 10.1021/ml100170e
BindingDB Entry DOI: 10.7270/Q2QZ2C20 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50338167
((R)-2-(4-cyclopropylphenyl)-N-(1-(5-(2,2,2-trifluo...)Show SMILES C[C@@H](NC(=O)Cc1ccc(cc1)C1CC1)c1ccc(OCC(F)(F)F)cn1 |r| Show InChI InChI=1S/C20H21F3N2O2/c1-13(18-9-8-17(11-24-18)27-12-20(21,22)23)25-19(26)10-14-2-4-15(5-3-14)16-6-7-16/h2-5,8-9,11,13,16H,6-7,10,12H2,1H3,(H,25,26)/t13-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3S]MK499 from human ERG in HEK293 cells |
ACS Med Chem Lett 1: 504-509 (2010)
Article DOI: 10.1021/ml100170e
BindingDB Entry DOI: 10.7270/Q2QZ2C20 |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1I
(Homo sapiens (Human)) | BDBM50392769
(CHEMBL2151147)Show SMILES C[C@@H](NC(=O)Cc1ccc(cc1)-c1nccnc1C)c1ccc(OCC(F)(F)F)cn1 |r| Show InChI InChI=1S/C22H21F3N4O2/c1-14(19-8-7-18(12-28-19)31-13-22(23,24)25)29-20(30)11-16-3-5-17(6-4-16)21-15(2)26-9-10-27-21/h3-10,12,14H,11,13H2,1-2H3,(H,29,30)/t14-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at Cav3.3 at -100 mV holding potential by whole cell patch clamp analysis |
ACS Med Chem Lett 1: 504-509 (2010)
Article DOI: 10.1021/ml100170e
BindingDB Entry DOI: 10.7270/Q2QZ2C20 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50392769
(CHEMBL2151147)Show SMILES C[C@@H](NC(=O)Cc1ccc(cc1)-c1nccnc1C)c1ccc(OCC(F)(F)F)cn1 |r| Show InChI InChI=1S/C22H21F3N4O2/c1-14(19-8-7-18(12-28-19)31-13-22(23,24)25)29-20(30)11-16-3-5-17(6-4-16)21-15(2)26-9-10-27-21/h3-10,12,14H,11,13H2,1-2H3,(H,29,30)/t14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3S]MK499 from human ERG in HEK293 cells |
ACS Med Chem Lett 1: 504-509 (2010)
Article DOI: 10.1021/ml100170e
BindingDB Entry DOI: 10.7270/Q2QZ2C20 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50392767
(CHEMBL2151145)Show SMILES C[C@@H](NC(=O)Cc1ccc(cc1)-c1ocnc1C)c1ccc(OCC(F)(F)F)cn1 |r| Show InChI InChI=1S/C21H20F3N3O3/c1-13(18-8-7-17(10-25-18)29-11-21(22,23)24)27-19(28)9-15-3-5-16(6-4-15)20-14(2)26-12-30-20/h3-8,10,12-13H,9,11H2,1-2H3,(H,27,28)/t13-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3S]MK499 from human ERG in HEK293 cells |
ACS Med Chem Lett 1: 504-509 (2010)
Article DOI: 10.1021/ml100170e
BindingDB Entry DOI: 10.7270/Q2QZ2C20 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50392768
(CHEMBL2151146)Show SMILES C[C@@H](NC(=O)Cc1ccc(cc1)-c1cnn2ncccc12)c1ccc(OCC(F)(F)F)cn1 |r| Show InChI InChI=1S/C23H20F3N5O2/c1-15(20-9-8-18(12-27-20)33-14-23(24,25)26)30-22(32)11-16-4-6-17(7-5-16)19-13-29-31-21(19)3-2-10-28-31/h2-10,12-13,15H,11,14H2,1H3,(H,30,32)/t15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3S]MK499 from human ERG in HEK293 cells |
ACS Med Chem Lett 1: 504-509 (2010)
Article DOI: 10.1021/ml100170e
BindingDB Entry DOI: 10.7270/Q2QZ2C20 |
More data for this
Ligand-Target Pair | |
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