Found 31 hits Enz. Inhib. hit(s) with all data for entry = 50007208 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 |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50507371
(BMS-823778)Show InChI InChI=1S/C18H18ClN3O/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12/h3-8,11,23H,9-10H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of recombinant human 11beta-HSD1 expressed in HEK293 cell microsomes using [3H]cortisone as substrate after 4 hrs by homogeneous immuno-ra... |
ACS Med Chem Lett 9: 1170-1174 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00307 BindingDB Entry DOI: 10.7270/Q20R9SP3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50507371
(BMS-823778)Show InChI InChI=1S/C18H18ClN3O/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12/h3-8,11,23H,9-10H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of recombinant mouse 11beta-HSD1 expressed in HEK293 cell microsomes using [3H]cortisone as substrate after 4 hrs by homogeneous immuno-ra... |
ACS Med Chem Lett 9: 1170-1174 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00307 BindingDB Entry DOI: 10.7270/Q20R9SP3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50507376
(CHEMBL4453347)Show SMILES CC(C)(CCO)c1cccn2c(nnc12)C1(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H22ClN3O/c1-19(2,11-13-25)16-4-3-12-24-17(16)22-23-18(24)20(9-10-20)14-5-7-15(21)8-6-14/h3-8,12,25H,9-11,13H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of recombinant human 11beta-HSD1 expressed in HEK293 cell microsomes using [3H]cortisone as substrate after 4 hrs by homogeneous immuno-ra... |
ACS Med Chem Lett 9: 1170-1174 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00307 BindingDB Entry DOI: 10.7270/Q20R9SP3 |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50507371
(BMS-823778)Show InChI InChI=1S/C18H18ClN3O/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12/h3-8,11,23H,9-10H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of recombinant human 11beta-HSD1 expressed in HEK293 cell microsomes using [3H]cortisone as substrate after 4 hrs by homogeneous immuno-ra... |
ACS Med Chem Lett 9: 1170-1174 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00307 BindingDB Entry DOI: 10.7270/Q20R9SP3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50507375
(CHEMBL4457613)Show SMILES OC(C1CC1)c1cccn2c(nnc12)C1(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H18ClN3O/c20-14-7-5-13(6-8-14)19(9-10-19)18-22-21-17-15(2-1-11-23(17)18)16(24)12-3-4-12/h1-2,5-8,11-12,16,24H,3-4,9-10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of recombinant human 11beta-HSD1 expressed in HEK293 cell microsomes using [3H]cortisone as substrate after 4 hrs by homogeneous immuno-ra... |
ACS Med Chem Lett 9: 1170-1174 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00307 BindingDB Entry DOI: 10.7270/Q20R9SP3 |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50507377
(CHEMBL4469684)Show InChI InChI=1S/C18H18ClN3O/c19-15-7-5-14(6-8-15)18(9-10-18)17-21-20-16-13(4-2-12-23)3-1-11-22(16)17/h1,3,5-8,11,23H,2,4,9-10,12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of recombinant human 11beta-HSD1 expressed in HEK293 cell microsomes using [3H]cortisone as substrate after 4 hrs by homogeneous immuno-ra... |
ACS Med Chem Lett 9: 1170-1174 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00307 BindingDB Entry DOI: 10.7270/Q20R9SP3 |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50507370
(CHEMBL4563301)Show InChI InChI=1S/C16H14ClN3O/c17-13-5-3-12(4-6-13)16(7-8-16)15-19-18-14-11(10-21)2-1-9-20(14)15/h1-6,9,21H,7-8,10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of recombinant human 11beta-HSD1 expressed in HEK293 cell microsomes using [3H]cortisone as substrate after 4 hrs by homogeneous immuno-ra... |
ACS Med Chem Lett 9: 1170-1174 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00307 BindingDB Entry DOI: 10.7270/Q20R9SP3 |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50507374
(CHEMBL4571861)Show SMILES CC(C)(O)CCc1cccn2c(nnc12)C1(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H22ClN3O/c1-19(2,25)10-9-14-4-3-13-24-17(14)22-23-18(24)20(11-12-20)15-5-7-16(21)8-6-15/h3-8,13,25H,9-12H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of recombinant human 11beta-HSD1 expressed in HEK293 cell microsomes using [3H]cortisone as substrate after 4 hrs by homogeneous immuno-ra... |
ACS Med Chem Lett 9: 1170-1174 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00307 BindingDB Entry DOI: 10.7270/Q20R9SP3 |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50507372
(CHEMBL4536580)Show InChI InChI=1S/C17H16ClN3O2/c18-12-5-3-11(4-6-12)17(7-8-17)16-20-19-15-13(14(23)10-22)2-1-9-21(15)16/h1-6,9,14,22-23H,7-8,10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of recombinant human 11beta-HSD1 expressed in HEK293 cell microsomes using [3H]cortisone as substrate after 4 hrs by homogeneous immuno-ra... |
ACS Med Chem Lett 9: 1170-1174 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00307 BindingDB Entry DOI: 10.7270/Q20R9SP3 |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50507371
(BMS-823778)Show InChI InChI=1S/C18H18ClN3O/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12/h3-8,11,23H,9-10H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of recombinant mouse 11beta-HSD1 expressed in HEK293 cell microsomes using [3H]cortisone as substrate after 4 hrs by homogeneous immuno-ra... |
ACS Med Chem Lett 9: 1170-1174 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00307 BindingDB Entry DOI: 10.7270/Q20R9SP3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50507376
(CHEMBL4453347)Show SMILES CC(C)(CCO)c1cccn2c(nnc12)C1(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H22ClN3O/c1-19(2,11-13-25)16-4-3-12-24-17(16)22-23-18(24)20(9-10-20)14-5-7-15(21)8-6-14/h3-8,12,25H,9-11,13H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of recombinant mouse 11beta-HSD1 expressed in HEK293 cell microsomes using [3H]cortisone as substrate after 4 hrs by homogeneous immuno-ra... |
ACS Med Chem Lett 9: 1170-1174 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00307 BindingDB Entry DOI: 10.7270/Q20R9SP3 |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50507373
(CHEMBL4472732)Show SMILES CC(C)(C(O)=O)c1cccn2c(nnc12)C1(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H18ClN3O2/c1-18(2,17(24)25)14-4-3-11-23-15(14)21-22-16(23)19(9-10-19)12-5-7-13(20)8-6-12/h3-8,11H,9-10H2,1-2H3,(H,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of recombinant human 11beta-HSD1 expressed in HEK293 cell microsomes using [3H]cortisone as substrate after 4 hrs by homogeneous immuno-ra... |
ACS Med Chem Lett 9: 1170-1174 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00307 BindingDB Entry DOI: 10.7270/Q20R9SP3 |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50507370
(CHEMBL4563301)Show InChI InChI=1S/C16H14ClN3O/c17-13-5-3-12(4-6-13)16(7-8-16)15-19-18-14-11(10-21)2-1-9-20(14)15/h1-6,9,21H,7-8,10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of recombinant mouse 11beta-HSD1 expressed in HEK293 cell microsomes using [3H]cortisone as substrate after 4 hrs by homogeneous immuno-ra... |
ACS Med Chem Lett 9: 1170-1174 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00307 BindingDB Entry DOI: 10.7270/Q20R9SP3 |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50507377
(CHEMBL4469684)Show InChI InChI=1S/C18H18ClN3O/c19-15-7-5-14(6-8-15)18(9-10-18)17-21-20-16-13(4-2-12-23)3-1-11-22(16)17/h1,3,5-8,11,23H,2,4,9-10,12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of recombinant mouse 11beta-HSD1 expressed in HEK293 cell microsomes using [3H]cortisone as substrate after 4 hrs by homogeneous immuno-ra... |
ACS Med Chem Lett 9: 1170-1174 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00307 BindingDB Entry DOI: 10.7270/Q20R9SP3 |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50507375
(CHEMBL4457613)Show SMILES OC(C1CC1)c1cccn2c(nnc12)C1(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H18ClN3O/c20-14-7-5-13(6-8-14)19(9-10-19)18-22-21-17-15(2-1-11-23(17)18)16(24)12-3-4-12/h1-2,5-8,11-12,16,24H,3-4,9-10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of recombinant mouse 11beta-HSD1 expressed in HEK293 cell microsomes using [3H]cortisone as substrate after 4 hrs by homogeneous immuno-ra... |
ACS Med Chem Lett 9: 1170-1174 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00307 BindingDB Entry DOI: 10.7270/Q20R9SP3 |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50507374
(CHEMBL4571861)Show SMILES CC(C)(O)CCc1cccn2c(nnc12)C1(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H22ClN3O/c1-19(2,25)10-9-14-4-3-13-24-17(14)22-23-18(24)20(11-12-20)15-5-7-16(21)8-6-15/h3-8,13,25H,9-12H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| 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 |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of recombinant mouse 11beta-HSD1 expressed in HEK293 cell microsomes using [3H]cortisone as substrate after 4 hrs by homogeneous immuno-ra... |
ACS Med Chem Lett 9: 1170-1174 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00307 BindingDB Entry DOI: 10.7270/Q20R9SP3 |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50507372
(CHEMBL4536580)Show InChI InChI=1S/C17H16ClN3O2/c18-12-5-3-11(4-6-12)17(7-8-17)16-20-19-15-13(14(23)10-22)2-1-9-21(15)16/h1-6,9,14,22-23H,7-8,10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| 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 |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of recombinant mouse 11beta-HSD1 expressed in HEK293 cell microsomes using [3H]cortisone as substrate after 4 hrs by homogeneous immuno-ra... |
ACS Med Chem Lett 9: 1170-1174 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00307 BindingDB Entry DOI: 10.7270/Q20R9SP3 |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50507373
(CHEMBL4472732)Show SMILES CC(C)(C(O)=O)c1cccn2c(nnc12)C1(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H18ClN3O2/c1-18(2,17(24)25)14-4-3-11-23-15(14)21-22-16(23)19(9-10-19)12-5-7-13(20)8-6-12/h3-8,11H,9-10H2,1-2H3,(H,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| 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 |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of recombinant mouse 11beta-HSD1 expressed in HEK293 cell microsomes using [3H]cortisone as substrate after 4 hrs by homogeneous immuno-ra... |
ACS Med Chem Lett 9: 1170-1174 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00307 BindingDB Entry DOI: 10.7270/Q20R9SP3 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50507371
(BMS-823778)Show InChI InChI=1S/C18H18ClN3O/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12/h3-8,11,23H,9-10H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human CYP3A4 |
ACS Med Chem Lett 9: 1170-1174 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00307 BindingDB Entry DOI: 10.7270/Q20R9SP3 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50507371
(BMS-823778)Show InChI InChI=1S/C18H18ClN3O/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12/h3-8,11,23H,9-10H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C9 |
ACS Med Chem Lett 9: 1170-1174 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00307 BindingDB Entry DOI: 10.7270/Q20R9SP3 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50507371
(BMS-823778)Show InChI InChI=1S/C18H18ClN3O/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12/h3-8,11,23H,9-10H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human CYP2D6 |
ACS Med Chem Lett 9: 1170-1174 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00307 BindingDB Entry DOI: 10.7270/Q20R9SP3 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50507371
(BMS-823778)Show InChI InChI=1S/C18H18ClN3O/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12/h3-8,11,23H,9-10H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
ACS Med Chem Lett 9: 1170-1174 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00307 BindingDB Entry DOI: 10.7270/Q20R9SP3 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50507371
(BMS-823778)Show InChI InChI=1S/C18H18ClN3O/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12/h3-8,11,23H,9-10H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human CYP1A2 |
ACS Med Chem Lett 9: 1170-1174 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00307 BindingDB Entry DOI: 10.7270/Q20R9SP3 |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50507376
(CHEMBL4453347)Show SMILES CC(C)(CCO)c1cccn2c(nnc12)C1(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H22ClN3O/c1-19(2,11-13-25)16-4-3-12-24-17(16)22-23-18(24)20(9-10-20)14-5-7-15(21)8-6-14/h3-8,12,25H,9-11,13H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Activation of PXR (unknown origin) |
ACS Med Chem Lett 9: 1170-1174 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00307 BindingDB Entry DOI: 10.7270/Q20R9SP3 |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50507370
(CHEMBL4563301)Show InChI InChI=1S/C16H14ClN3O/c17-13-5-3-12(4-6-13)16(7-8-16)15-19-18-14-11(10-21)2-1-9-20(14)15/h1-6,9,21H,7-8,10H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Activation of PXR (unknown origin) |
ACS Med Chem Lett 9: 1170-1174 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00307 BindingDB Entry DOI: 10.7270/Q20R9SP3 |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50507372
(CHEMBL4536580)Show InChI InChI=1S/C17H16ClN3O2/c18-12-5-3-11(4-6-12)17(7-8-17)16-20-19-15-13(14(23)10-22)2-1-9-21(15)16/h1-6,9,14,22-23H,7-8,10H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Activation of PXR (unknown origin) |
ACS Med Chem Lett 9: 1170-1174 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00307 BindingDB Entry DOI: 10.7270/Q20R9SP3 |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50507377
(CHEMBL4469684)Show InChI InChI=1S/C18H18ClN3O/c19-15-7-5-14(6-8-15)18(9-10-18)17-21-20-16-13(4-2-12-23)3-1-11-22(16)17/h1,3,5-8,11,23H,2,4,9-10,12H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Activation of PXR (unknown origin) |
ACS Med Chem Lett 9: 1170-1174 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00307 BindingDB Entry DOI: 10.7270/Q20R9SP3 |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50507373
(CHEMBL4472732)Show SMILES CC(C)(C(O)=O)c1cccn2c(nnc12)C1(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H18ClN3O2/c1-18(2,17(24)25)14-4-3-11-23-15(14)21-22-16(23)19(9-10-19)12-5-7-13(20)8-6-12/h3-8,11H,9-10H2,1-2H3,(H,24,25) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Activation of PXR (unknown origin) |
ACS Med Chem Lett 9: 1170-1174 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00307 BindingDB Entry DOI: 10.7270/Q20R9SP3 |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50507374
(CHEMBL4571861)Show SMILES CC(C)(O)CCc1cccn2c(nnc12)C1(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H22ClN3O/c1-19(2,25)10-9-14-4-3-13-24-17(14)22-23-18(24)20(11-12-20)15-5-7-16(21)8-6-15/h3-8,13,25H,9-12H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Activation of PXR (unknown origin) |
ACS Med Chem Lett 9: 1170-1174 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00307 BindingDB Entry DOI: 10.7270/Q20R9SP3 |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50507375
(CHEMBL4457613)Show SMILES OC(C1CC1)c1cccn2c(nnc12)C1(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H18ClN3O/c20-14-7-5-13(6-8-14)19(9-10-19)18-22-21-17-15(2-1-11-23(17)18)16(24)12-3-4-12/h1-2,5-8,11-12,16,24H,3-4,9-10H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 4.80E+4 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Activation of PXR (unknown origin) |
ACS Med Chem Lett 9: 1170-1174 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00307 BindingDB Entry DOI: 10.7270/Q20R9SP3 |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50507371
(BMS-823778)Show InChI InChI=1S/C18H18ClN3O/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12/h3-8,11,23H,9-10H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Activation of PXR (unknown origin) |
ACS Med Chem Lett 9: 1170-1174 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00307 BindingDB Entry DOI: 10.7270/Q20R9SP3 |
More data for this Ligand-Target Pair | |