Found 14 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-1H
(Homo sapiens (Human)) | BDBM50095309
(CHEMBL3589557)Show SMILES Cl.[H][C@]12CCCN1CCN(C2)C(=O)c1cc(c(F)cc1Cl)S(=O)(=O)Nc1ccccc1F |r| Show InChI InChI=1S/C20H20ClF2N3O3S/c21-15-11-17(23)19(30(28,29)24-18-6-2-1-5-16(18)22)10-14(15)20(27)26-9-8-25-7-3-4-13(25)12-26/h1-2,5-6,10-11,13,24H,3-4,7-9,12H2/t13-/m1/s1 | PDB
UniProtKB/SwissProt
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PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Cav3.2 channel |
ACS Med Chem Lett 6: 641-4 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00023
BindingDB Entry DOI: 10.7270/Q27D2WW3 |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50095305
(CHEMBL1486348)Show SMILES CC1Cc2ccccc2N1S(=O)(=O)c1cccc(c1)C(=O)N1CC(C)CC(C)C1 Show InChI InChI=1S/C23H28N2O3S/c1-16-11-17(2)15-24(14-16)23(26)20-8-6-9-21(13-20)29(27,28)25-18(3)12-19-7-4-5-10-22(19)25/h4-10,13,16-18H,11-12,14-15H2,1-3H3 | PDB
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UniChem
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Cav3.2 channel |
ACS Med Chem Lett 6: 641-4 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00023
BindingDB Entry DOI: 10.7270/Q27D2WW3 |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50095306
(CHEMBL3589094)Show SMILES CC1Cc2ccccc2N1S(=O)(=O)c1cccc(c1)C(=O)NCC1CCCCC1 Show InChI InChI=1S/C23H28N2O3S/c1-17-14-19-10-5-6-13-22(19)25(17)29(27,28)21-12-7-11-20(15-21)23(26)24-16-18-8-3-2-4-9-18/h5-7,10-13,15,17-18H,2-4,8-9,14,16H2,1H3,(H,24,26) | PDB
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| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Cav3.2 channel |
ACS Med Chem Lett 6: 641-4 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00023
BindingDB Entry DOI: 10.7270/Q27D2WW3 |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Rattus norvegicus) | BDBM50095309
(CHEMBL3589557)Show SMILES Cl.[H][C@]12CCCN1CCN(C2)C(=O)c1cc(c(F)cc1Cl)S(=O)(=O)Nc1ccccc1F |r| Show InChI InChI=1S/C20H20ClF2N3O3S/c21-15-11-17(23)19(30(28,29)24-18-6-2-1-5-16(18)22)10-14(15)20(27)26-9-8-25-7-3-4-13(25)12-26/h1-2,5-6,10-11,13,24H,3-4,7-9,12H2/t13-/m1/s1 | UniProtKB/SwissProt
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PubMed
| n/a | n/a | 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Cav3.2 channel in rat DRG neurons assessed as reduction in LVA currents |
ACS Med Chem Lett 6: 641-4 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00023
BindingDB Entry DOI: 10.7270/Q27D2WW3 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50095309
(CHEMBL3589557)Show SMILES Cl.[H][C@]12CCCN1CCN(C2)C(=O)c1cc(c(F)cc1Cl)S(=O)(=O)Nc1ccccc1F |r| Show InChI InChI=1S/C20H20ClF2N3O3S/c21-15-11-17(23)19(30(28,29)24-18-6-2-1-5-16(18)22)10-14(15)20(27)26-9-8-25-7-3-4-13(25)12-26/h1-2,5-6,10-11,13,24H,3-4,7-9,12H2/t13-/m1/s1 | PDB
MMDB
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| Article
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Competitive inhibition of CYP1A2 (unknown origin) |
ACS Med Chem Lett 6: 641-4 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00023
BindingDB Entry DOI: 10.7270/Q27D2WW3 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50095309
(CHEMBL3589557)Show SMILES Cl.[H][C@]12CCCN1CCN(C2)C(=O)c1cc(c(F)cc1Cl)S(=O)(=O)Nc1ccccc1F |r| Show InChI InChI=1S/C20H20ClF2N3O3S/c21-15-11-17(23)19(30(28,29)24-18-6-2-1-5-16(18)22)10-14(15)20(27)26-9-8-25-7-3-4-13(25)12-26/h1-2,5-6,10-11,13,24H,3-4,7-9,12H2/t13-/m1/s1 | PDB
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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 |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Competitive inhibition of CYP2C19 (unknown origin) |
ACS Med Chem Lett 6: 641-4 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00023
BindingDB Entry DOI: 10.7270/Q27D2WW3 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50095309
(CHEMBL3589557)Show SMILES Cl.[H][C@]12CCCN1CCN(C2)C(=O)c1cc(c(F)cc1Cl)S(=O)(=O)Nc1ccccc1F |r| Show InChI InChI=1S/C20H20ClF2N3O3S/c21-15-11-17(23)19(30(28,29)24-18-6-2-1-5-16(18)22)10-14(15)20(27)26-9-8-25-7-3-4-13(25)12-26/h1-2,5-6,10-11,13,24H,3-4,7-9,12H2/t13-/m1/s1 | PDB
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PC cid
PC sid
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Competitive inhibition of CYP2D6 (unknown origin) |
ACS Med Chem Lett 6: 641-4 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00023
BindingDB Entry DOI: 10.7270/Q27D2WW3 |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S
(Homo sapiens (Human)) | BDBM50095309
(CHEMBL3589557)Show SMILES Cl.[H][C@]12CCCN1CCN(C2)C(=O)c1cc(c(F)cc1Cl)S(=O)(=O)Nc1ccccc1F |r| Show InChI InChI=1S/C20H20ClF2N3O3S/c21-15-11-17(23)19(30(28,29)24-18-6-2-1-5-16(18)22)10-14(15)20(27)26-9-8-25-7-3-4-13(25)12-26/h1-2,5-6,10-11,13,24H,3-4,7-9,12H2/t13-/m1/s1 | PDB
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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 |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of L-type calcium channel (unknown origin) |
ACS Med Chem Lett 6: 641-4 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00023
BindingDB Entry DOI: 10.7270/Q27D2WW3 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50095309
(CHEMBL3589557)Show SMILES Cl.[H][C@]12CCCN1CCN(C2)C(=O)c1cc(c(F)cc1Cl)S(=O)(=O)Nc1ccccc1F |r| Show InChI InChI=1S/C20H20ClF2N3O3S/c21-15-11-17(23)19(30(28,29)24-18-6-2-1-5-16(18)22)10-14(15)20(27)26-9-8-25-7-3-4-13(25)12-26/h1-2,5-6,10-11,13,24H,3-4,7-9,12H2/t13-/m1/s1 | PDB
MMDB
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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 |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Competitive inhibition of CYP2C9 (unknown origin) |
ACS Med Chem Lett 6: 641-4 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00023
BindingDB Entry DOI: 10.7270/Q27D2WW3 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50095309
(CHEMBL3589557)Show SMILES Cl.[H][C@]12CCCN1CCN(C2)C(=O)c1cc(c(F)cc1Cl)S(=O)(=O)Nc1ccccc1F |r| Show InChI InChI=1S/C20H20ClF2N3O3S/c21-15-11-17(23)19(30(28,29)24-18-6-2-1-5-16(18)22)10-14(15)20(27)26-9-8-25-7-3-4-13(25)12-26/h1-2,5-6,10-11,13,24H,3-4,7-9,12H2/t13-/m1/s1 | PDB
MMDB
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KEGG
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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 |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Competitive inhibition of CYP3A4 (unknown origin) |
ACS Med Chem Lett 6: 641-4 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00023
BindingDB Entry DOI: 10.7270/Q27D2WW3 |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50095307
(CHEMBL3589546)Show SMILES [H][C@]12CCCN1CCN(C2)C(=O)c1cccc(c1)S(=O)(=O)Nc1ccccc1F |r| Show InChI InChI=1S/C20H22FN3O3S/c21-18-8-1-2-9-19(18)22-28(26,27)17-7-3-5-15(13-17)20(25)24-12-11-23-10-4-6-16(23)14-24/h1-3,5,7-9,13,16,22H,4,6,10-12,14H2/t16-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.06E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Cav3.2 channel |
ACS Med Chem Lett 6: 641-4 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00023
BindingDB Entry DOI: 10.7270/Q27D2WW3 |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50095308
(CHEMBL3589554)Show SMILES [H][C@]12CCCN1CCN(C2)C(=O)c1cc(c(Cl)cc1Cl)S(=O)(=O)Nc1ccccc1F |r| Show InChI InChI=1S/C20H20Cl2FN3O3S/c21-15-11-16(22)19(30(28,29)24-18-6-2-1-5-17(18)23)10-14(15)20(27)26-9-8-25-7-3-4-13(25)12-26/h1-2,5-6,10-11,13,24H,3-4,7-9,12H2/t13-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Cav3.2 channel |
ACS Med Chem Lett 6: 641-4 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00023
BindingDB Entry DOI: 10.7270/Q27D2WW3 |
More data for this
Ligand-Target Pair | |
Aryl hydrocarbon receptor
(Homo sapiens (Human)) | BDBM50095309
(CHEMBL3589557)Show SMILES Cl.[H][C@]12CCCN1CCN(C2)C(=O)c1cc(c(F)cc1Cl)S(=O)(=O)Nc1ccccc1F |r| Show InChI InChI=1S/C20H20ClF2N3O3S/c21-15-11-17(23)19(30(28,29)24-18-6-2-1-5-16(18)22)10-14(15)20(27)26-9-8-25-7-3-4-13(25)12-26/h1-2,5-6,10-11,13,24H,3-4,7-9,12H2/t13-/m1/s1 | PDB
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Activation of aryl hydrocarbon receptor (unknown origin) assessed as induction of CYP1A2 mRNA expression |
ACS Med Chem Lett 6: 641-4 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00023
BindingDB Entry DOI: 10.7270/Q27D2WW3 |
More data for this
Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50095309
(CHEMBL3589557)Show SMILES Cl.[H][C@]12CCCN1CCN(C2)C(=O)c1cc(c(F)cc1Cl)S(=O)(=O)Nc1ccccc1F |r| Show InChI InChI=1S/C20H20ClF2N3O3S/c21-15-11-17(23)19(30(28,29)24-18-6-2-1-5-16(18)22)10-14(15)20(27)26-9-8-25-7-3-4-13(25)12-26/h1-2,5-6,10-11,13,24H,3-4,7-9,12H2/t13-/m1/s1 | PDB
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Activation of PXR (unknown origin) assessed as induction of CYP3A4 |
ACS Med Chem Lett 6: 641-4 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00023
BindingDB Entry DOI: 10.7270/Q27D2WW3 |
More data for this
Ligand-Target Pair | |
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