Found 52 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 |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50054701
(CHEMBL3318967)Show SMILES FC(F)(F)Oc1ccccc1Oc1cccn2c(nnc12)C1(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H15ClF3N3O2/c23-15-9-7-14(8-10-15)21(11-12-21)20-28-27-19-18(6-3-13-29(19)20)30-16-4-1-2-5-17(16)31-22(24,25)26/h1-10,13H,11-12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| 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 human recombinant 11beta-HSD-1 expressed in HEK293 EBNA cells using [3H]-cortisone and NADPH by scintillation proximity assay |
ACS Med Chem Lett 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50054690
(CHEMBL3318979)Show InChI InChI=1S/C18H18ClN3/c1-12(2)15-4-3-11-22-16(15)20-21-17(22)18(9-10-18)13-5-7-14(19)8-6-13/h3-8,11-12H,9-10H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.610 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human recombinant 11beta-HSD-1 expressed in HEK293 EBNA cells using [3H]-cortisone and NADPH by scintillation proximity assay |
ACS Med Chem Lett 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50054785
(CHEMBL3318965)Show SMILES Fc1ccccc1Oc1cccn2c(nnc12)C1(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H15ClFN3O/c22-15-9-7-14(8-10-15)21(11-12-21)20-25-24-19-18(6-3-13-26(19)20)27-17-5-2-1-4-16(17)23/h1-10,13H,11-12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human recombinant 11beta-HSD-1 expressed in HEK293 EBNA cells using [3H]-cortisone and NADPH by scintillation proximity assay |
ACS Med Chem Lett 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50054781
(CHEMBL3318966)Show SMILES Clc1ccc(cc1)C1(CC1)c1nnc2c(Oc3ccccc3N3CCOCC3)cccn12 Show InChI InChI=1S/C25H23ClN4O2/c26-19-9-7-18(8-10-19)25(11-12-25)24-28-27-23-22(6-3-13-30(23)24)32-21-5-2-1-4-20(21)29-14-16-31-17-15-29/h1-10,13H,11-12,14-17H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human recombinant 11beta-HSD-1 expressed in HEK293 EBNA cells using [3H]-cortisone and NADPH by scintillation proximity assay |
ACS Med Chem Lett 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50054788
(CHEMBL3318962)Show SMILES Clc1ccc(cc1)C1(CC1)c1nnc2c(Oc3ccccc3Cl)cccn12 Show InChI InChI=1S/C21H15Cl2N3O/c22-15-9-7-14(8-10-15)21(11-12-21)20-25-24-19-18(6-3-13-26(19)20)27-17-5-2-1-4-16(17)23/h1-10,13H,11-12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human recombinant 11beta-HSD-1 expressed in HEK293 EBNA cells using [3H]-cortisone and NADPH by scintillation proximity assay |
ACS Med Chem Lett 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50054700
(CHEMBL3318968)Show SMILES Oc1ccccc1Oc1cccn2c(nnc12)C1(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H16ClN3O2/c22-15-9-7-14(8-10-15)21(11-12-21)20-24-23-19-18(6-3-13-25(19)20)27-17-5-2-1-4-16(17)26/h1-10,13,26H,11-12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human recombinant 11beta-HSD-1 expressed in HEK293 EBNA cells using [3H]-cortisone and NADPH by scintillation proximity assay |
ACS Med Chem Lett 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50054691
(CHEMBL3318978)Show InChI InChI=1S/C18H16ClN3/c19-14-7-5-13(6-8-14)18(9-10-18)17-21-20-16-15(12-3-4-12)2-1-11-22(16)17/h1-2,5-8,11-12H,3-4,9-10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human recombinant 11beta-HSD-1 expressed in HEK293 EBNA cells using [3H]-cortisone and NADPH by scintillation proximity assay |
ACS Med Chem Lett 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50054789
(CHEMBL3318961)Show SMILES Clc1ccc(cc1)C1(CC1)c1nnc2c(Oc3ccccc3)cccn12 Show InChI InChI=1S/C21H16ClN3O/c22-16-10-8-15(9-11-16)21(12-13-21)20-24-23-19-18(7-4-14-25(19)20)26-17-5-2-1-3-6-17/h1-11,14H,12-13H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human recombinant 11beta-HSD-1 expressed in HEK293 EBNA cells using [3H]-cortisone and NADPH by scintillation proximity assay |
ACS Med Chem Lett 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50054692
(CHEMBL3318977)Show InChI InChI=1S/C19H18ClN3/c20-15-8-6-14(7-9-15)19(10-11-19)18-22-21-17-16(13-3-1-4-13)5-2-12-23(17)18/h2,5-9,12-13H,1,3-4,10-11H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human recombinant 11beta-HSD-1 expressed in HEK293 EBNA cells using [3H]-cortisone and NADPH by scintillation proximity assay |
ACS Med Chem Lett 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50054698
(CHEMBL3318970)Show SMILES Clc1ccc(cc1)C1(CC1)c1nnc2c(Oc3ccccc3-c3ccccc3)cccn12 Show InChI InChI=1S/C27H20ClN3O/c28-21-14-12-20(13-15-21)27(16-17-27)26-30-29-25-24(11-6-18-31(25)26)32-23-10-5-4-9-22(23)19-7-2-1-3-8-19/h1-15,18H,16-17H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human recombinant 11beta-HSD-1 expressed in HEK293 EBNA cells using [3H]-cortisone and NADPH by scintillation proximity assay |
ACS Med Chem Lett 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50054693
(CHEMBL3318976)Show InChI InChI=1S/C19H18ClN3O/c20-14-8-6-13(7-9-14)19(10-11-19)18-22-21-17-16(5-2-12-23(17)18)24-15-3-1-4-15/h2,5-9,12,15H,1,3-4,10-11H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human recombinant 11beta-HSD-1 expressed in HEK293 EBNA cells using [3H]-cortisone and NADPH by scintillation proximity assay |
ACS Med Chem Lett 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50054790
(CHEMBL3318981)Show InChI InChI=1S/C19H18FN3O2/c20-13-4-1-2-5-14(13)25-15-6-3-11-23-16(15)21-22-17(23)18-7-9-19(24,12-18)10-8-18/h1-6,11,24H,7-10,12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human recombinant 11beta-HSD-1 expressed in HEK293 EBNA cells using [3H]-cortisone and NADPH by scintillation proximity assay |
ACS Med Chem Lett 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50054696
(CHEMBL3318972)Show SMILES Cc1ncccc1Oc1cccn2c(nnc12)C1(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H17ClN4O/c1-14-17(4-2-12-23-14)27-18-5-3-13-26-19(18)24-25-20(26)21(10-11-21)15-6-8-16(22)9-7-15/h2-9,12-13H,10-11H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human recombinant 11beta-HSD-1 expressed in HEK293 EBNA cells using [3H]-cortisone and NADPH by scintillation proximity assay |
ACS Med Chem Lett 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50054699
(CHEMBL3318969)Show SMILES CS(=O)(=O)c1ccccc1Oc1cccn2c(nnc12)C1(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H18ClN3O3S/c1-30(27,28)19-7-3-2-5-17(19)29-18-6-4-14-26-20(18)24-25-21(26)22(12-13-22)15-8-10-16(23)11-9-15/h2-11,14H,12-13H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human recombinant 11beta-HSD-1 expressed in HEK293 EBNA cells using [3H]-cortisone and NADPH by scintillation proximity assay |
ACS Med Chem Lett 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50348282
(CHEMBL1800761)Show InChI InChI=1S/C20H21Cl2N3O/c21-16-10-5-11-17(22)18(16)26-13-15-9-6-12-25-19(23-24-20(15)25)14-7-3-1-2-4-8-14/h5-6,9-12,14H,1-4,7-8,13H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| 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 human recombinant 11beta-HSD-1 expressed in HEK293 EBNA cells using [3H]-cortisone and NADPH by scintillation proximity assay |
ACS Med Chem Lett 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50054691
(CHEMBL3318978)Show InChI InChI=1S/C18H16ClN3/c19-14-7-5-13(6-8-14)18(9-10-18)17-21-20-16-15(12-3-4-12)2-1-11-22(16)17/h1-2,5-8,11-12H,3-4,9-10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human recombinant 11beta-HSD-1 expressed in HEK293 cells |
ACS Med Chem Lett 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50054678
(CHEMBL3318980)Show InChI InChI=1S/C16H14ClN3/c1-11-3-2-10-20-14(11)18-19-15(20)16(8-9-16)12-4-6-13(17)7-5-12/h2-7,10H,8-9H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| 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 human recombinant 11beta-HSD-1 expressed in HEK293 EBNA cells using [3H]-cortisone and NADPH by scintillation proximity assay |
ACS Med Chem Lett 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50054697
(CHEMBL3318971)Show SMILES Clc1ccc(cc1)C1(CC1)c1nnc2c(Oc3ccc4ccccc4c3)cccn12 Show InChI InChI=1S/C25H18ClN3O/c26-20-10-8-19(9-11-20)25(13-14-25)24-28-27-23-22(6-3-15-29(23)24)30-21-12-7-17-4-1-2-5-18(17)16-21/h1-12,15-16H,13-14H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human recombinant 11beta-HSD-1 expressed in HEK293 EBNA cells using [3H]-cortisone and NADPH by scintillation proximity assay |
ACS Med Chem Lett 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50054786
(CHEMBL3318964)Show SMILES Clc1ccc(Oc2cccn3c(nnc23)C2(CC2)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C21H15Cl2N3O/c22-15-5-3-14(4-6-15)21(11-12-21)20-25-24-19-18(2-1-13-26(19)20)27-17-9-7-16(23)8-10-17/h1-10,13H,11-12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human recombinant 11beta-HSD-1 expressed in HEK293 EBNA cells using [3H]-cortisone and NADPH by scintillation proximity assay |
ACS Med Chem Lett 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50054787
(CHEMBL3318963)Show SMILES Clc1ccc(cc1)C1(CC1)c1nnc2c(Oc3cccc(Cl)c3)cccn12 Show InChI InChI=1S/C21H15Cl2N3O/c22-15-8-6-14(7-9-15)21(10-11-21)20-25-24-19-18(5-2-12-26(19)20)27-17-4-1-3-16(23)13-17/h1-9,12-13H,10-11H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human recombinant 11beta-HSD-1 expressed in HEK293 EBNA cells using [3H]-cortisone and NADPH by scintillation proximity assay |
ACS Med Chem Lett 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50054695
(CHEMBL3318973)Show SMILES Clc1ccc(cc1)C1(CC1)c1nnc2c(OC3CCCCC3)cccn12 Show InChI InChI=1S/C21H22ClN3O/c22-16-10-8-15(9-11-16)21(12-13-21)20-24-23-19-18(7-4-14-25(19)20)26-17-5-2-1-3-6-17/h4,7-11,14,17H,1-3,5-6,12-13H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human recombinant 11beta-HSD-1 expressed in HEK293 EBNA cells using [3H]-cortisone and NADPH by scintillation proximity assay |
ACS Med Chem Lett 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50054791
(CHEMBL3318975)Show InChI InChI=1S/C19H18ClN3O/c20-15-7-5-14(6-8-15)19(9-10-19)18-22-21-17-16(2-1-11-23(17)18)24-12-13-3-4-13/h1-2,5-8,11,13H,3-4,9-10,12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human recombinant 11beta-HSD-1 expressed in HEK293 EBNA cells using [3H]-cortisone and NADPH by scintillation proximity assay |
ACS Med Chem Lett 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50054694
(CHEMBL3318974)Show SMILES Clc1ccc(cc1)C1(CC1)c1nnc2c(OC3CCOCC3)cccn12 Show InChI InChI=1S/C20H20ClN3O2/c21-15-5-3-14(4-6-15)20(9-10-20)19-23-22-18-17(2-1-11-24(18)19)26-16-7-12-25-13-8-16/h1-6,11,16H,7-10,12-13H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human recombinant 11beta-HSD-1 expressed in HEK293 EBNA cells using [3H]-cortisone and NADPH by scintillation proximity assay |
ACS Med Chem Lett 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50054691
(CHEMBL3318978)Show InChI InChI=1S/C18H16ClN3/c19-14-7-5-13(6-8-14)18(9-10-18)17-21-20-16-15(12-3-4-12)2-1-11-22(16)17/h1-2,5-8,11-12H,3-4,9-10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 241 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant 11beta-HSD-1 expressed in HEK293 EBNA cells using [3H]-cortisone and NADPH by scintillation proximity assay |
ACS Med Chem Lett 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50054691
(CHEMBL3318978)Show InChI InChI=1S/C18H16ClN3/c19-14-7-5-13(6-8-14)18(9-10-18)17-21-20-16-15(12-3-4-12)2-1-11-22(16)17/h1-2,5-8,11-12H,3-4,9-10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 293 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of 11beta-HSD-1 in mouse 3T3L1 cells |
ACS Med Chem Lett 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50054691
(CHEMBL3318978)Show InChI InChI=1S/C18H16ClN3/c19-14-7-5-13(6-8-14)18(9-10-18)17-21-20-16-15(12-3-4-12)2-1-11-22(16)17/h1-2,5-8,11-12H,3-4,9-10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 2.00E+3 | 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 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50054691
(CHEMBL3318978)Show InChI InChI=1S/C18H16ClN3/c19-14-7-5-13(6-8-14)18(9-10-18)17-21-20-16-15(12-3-4-12)2-1-11-22(16)17/h1-2,5-8,11-12H,3-4,9-10H2 | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| 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 human recombinant 11beta-HSD-2 expressed in HEK293 EBNA cells assessed as reduction in cortisone formation ESI mass spectroscopy |
ACS Med Chem Lett 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50054691
(CHEMBL3318978)Show InChI InChI=1S/C18H16ClN3/c19-14-7-5-13(6-8-14)18(9-10-18)17-21-20-16-15(12-3-4-12)2-1-11-22(16)17/h1-2,5-8,11-12H,3-4,9-10H2 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >2.00E+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 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50054691
(CHEMBL3318978)Show InChI InChI=1S/C18H16ClN3/c19-14-7-5-13(6-8-14)18(9-10-18)17-21-20-16-15(12-3-4-12)2-1-11-22(16)17/h1-2,5-8,11-12H,3-4,9-10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >2.00E+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 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50054691
(CHEMBL3318978)Show InChI InChI=1S/C18H16ClN3/c19-14-7-5-13(6-8-14)18(9-10-18)17-21-20-16-15(12-3-4-12)2-1-11-22(16)17/h1-2,5-8,11-12H,3-4,9-10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human CYP3A3 |
ACS Med Chem Lett 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50054691
(CHEMBL3318978)Show InChI InChI=1S/C18H16ClN3/c19-14-7-5-13(6-8-14)18(9-10-18)17-21-20-16-15(12-3-4-12)2-1-11-22(16)17/h1-2,5-8,11-12H,3-4,9-10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >2.00E+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 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50054691
(CHEMBL3318978)Show InChI InChI=1S/C18H16ClN3/c19-14-7-5-13(6-8-14)18(9-10-18)17-21-20-16-15(12-3-4-12)2-1-11-22(16)17/h1-2,5-8,11-12H,3-4,9-10H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C8 |
ACS Med Chem Lett 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50054691
(CHEMBL3318978)Show InChI InChI=1S/C18H16ClN3/c19-14-7-5-13(6-8-14)18(9-10-18)17-21-20-16-15(12-3-4-12)2-1-11-22(16)17/h1-2,5-8,11-12H,3-4,9-10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description Inhibition of human ERG flux |
ACS Med Chem Lett 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50054788
(CHEMBL3318962)Show SMILES Clc1ccc(cc1)C1(CC1)c1nnc2c(Oc3ccccc3Cl)cccn12 Show InChI InChI=1S/C21H15Cl2N3O/c22-15-9-7-14(8-10-15)21(11-12-21)20-25-24-19-18(6-3-13-26(19)20)27-17-5-2-1-4-16(17)23/h1-10,13H,11-12H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 970 | 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 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50054789
(CHEMBL3318961)Show SMILES Clc1ccc(cc1)C1(CC1)c1nnc2c(Oc3ccccc3)cccn12 Show InChI InChI=1S/C21H16ClN3O/c22-16-10-8-15(9-11-16)21(12-13-21)20-24-23-19-18(7-4-14-25(19)20)26-17-5-2-1-3-6-17/h1-11,14H,12-13H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.80E+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 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50054693
(CHEMBL3318976)Show InChI InChI=1S/C19H18ClN3O/c20-14-8-6-13(7-9-14)19(10-11-19)18-22-21-17-16(5-2-12-23(17)18)24-15-3-1-4-15/h2,5-9,12,15H,1,3-4,10-11H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.50E+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 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50054787
(CHEMBL3318963)Show SMILES Clc1ccc(cc1)C1(CC1)c1nnc2c(Oc3cccc(Cl)c3)cccn12 Show InChI InChI=1S/C21H15Cl2N3O/c22-15-8-6-14(7-9-15)21(10-11-21)20-25-24-19-18(5-2-12-26(19)20)27-17-4-1-3-16(23)13-17/h1-9,12-13H,10-11H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 800 | 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 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50054785
(CHEMBL3318965)Show SMILES Fc1ccccc1Oc1cccn2c(nnc12)C1(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H15ClFN3O/c22-15-9-7-14(8-10-15)21(11-12-21)20-25-24-19-18(6-3-13-26(19)20)27-17-5-2-1-4-16(17)23/h1-10,13H,11-12H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.10E+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 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50054781
(CHEMBL3318966)Show SMILES Clc1ccc(cc1)C1(CC1)c1nnc2c(Oc3ccccc3N3CCOCC3)cccn12 Show InChI InChI=1S/C25H23ClN4O2/c26-19-9-7-18(8-10-19)25(11-12-25)24-28-27-23-22(6-3-13-30(23)24)32-21-5-2-1-4-20(21)29-14-16-31-17-15-29/h1-10,13H,11-12,14-17H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 400 | 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 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50054701
(CHEMBL3318967)Show SMILES FC(F)(F)Oc1ccccc1Oc1cccn2c(nnc12)C1(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H15ClF3N3O2/c23-15-9-7-14(8-10-15)21(11-12-21)20-28-27-19-18(6-3-13-29(19)20)30-16-4-1-2-5-17(16)31-22(24,25)26/h1-10,13H,11-12H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 300 | 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 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50054786
(CHEMBL3318964)Show SMILES Clc1ccc(Oc2cccn3c(nnc23)C2(CC2)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C21H15Cl2N3O/c22-15-5-3-14(4-6-15)21(11-12-21)20-25-24-19-18(2-1-13-26(19)20)27-17-9-7-16(23)8-10-17/h1-10,13H,11-12H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.20E+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 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50054700
(CHEMBL3318968)Show SMILES Oc1ccccc1Oc1cccn2c(nnc12)C1(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H16ClN3O2/c22-15-9-7-14(8-10-15)21(11-12-21)20-24-23-19-18(6-3-13-25(19)20)27-17-5-2-1-4-16(17)26/h1-10,13,26H,11-12H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 2.60E+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 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50054699
(CHEMBL3318969)Show SMILES CS(=O)(=O)c1ccccc1Oc1cccn2c(nnc12)C1(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H18ClN3O3S/c1-30(27,28)19-7-3-2-5-17(19)29-18-6-4-14-26-20(18)24-25-21(26)22(12-13-22)15-8-10-16(23)11-9-15/h2-11,14H,12-13H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 700 | 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 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50054695
(CHEMBL3318973)Show SMILES Clc1ccc(cc1)C1(CC1)c1nnc2c(OC3CCCCC3)cccn12 Show InChI InChI=1S/C21H22ClN3O/c22-16-10-8-15(9-11-16)21(12-13-21)20-24-23-19-18(7-4-14-25(19)20)26-17-5-2-1-3-6-17/h4,7-11,14,17H,1-3,5-6,12-13H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 600 | 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 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50054690
(CHEMBL3318979)Show InChI InChI=1S/C18H18ClN3/c1-12(2)15-4-3-11-22-16(15)20-21-17(22)18(9-10-18)13-5-7-14(19)8-6-13/h3-8,11-12H,9-10H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.00E+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 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50054698
(CHEMBL3318970)Show SMILES Clc1ccc(cc1)C1(CC1)c1nnc2c(Oc3ccccc3-c3ccccc3)cccn12 Show InChI InChI=1S/C27H20ClN3O/c28-21-14-12-20(13-15-21)27(16-17-27)26-30-29-25-24(11-6-18-31(25)26)32-23-10-5-4-9-22(23)19-7-2-1-3-8-19/h1-15,18H,16-17H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 500 | 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 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50054697
(CHEMBL3318971)Show SMILES Clc1ccc(cc1)C1(CC1)c1nnc2c(Oc3ccc4ccccc4c3)cccn12 Show InChI InChI=1S/C25H18ClN3O/c26-20-10-8-19(9-11-20)25(13-14-25)24-28-27-23-22(6-3-15-29(23)24)30-21-12-7-17-4-1-2-5-18(17)16-21/h1-12,15-16H,13-14H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 800 | 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 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50054692
(CHEMBL3318977)Show InChI InChI=1S/C19H18ClN3/c20-15-8-6-14(7-9-15)19(10-11-19)18-22-21-17-16(13-3-1-4-13)5-2-12-23(17)18/h2,5-9,12-13H,1,3-4,10-11H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 900 | 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 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50054696
(CHEMBL3318972)Show SMILES Cc1ncccc1Oc1cccn2c(nnc12)C1(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H17ClN4O/c1-14-17(4-2-12-23-14)27-18-5-3-13-26-19(18)24-25-20(26)21(10-11-21)15-6-8-16(22)9-7-15/h2-9,12-13H,10-11H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 2.80E+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 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50054694
(CHEMBL3318974)Show SMILES Clc1ccc(cc1)C1(CC1)c1nnc2c(OC3CCOCC3)cccn12 Show InChI InChI=1S/C20H20ClN3O2/c21-15-5-3-14(4-6-15)20(9-10-20)19-23-22-18-17(2-1-11-24(18)19)26-16-7-12-25-13-8-16/h1-6,11,16H,7-10,12-13H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.00E+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 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50054678
(CHEMBL3318980)Show InChI InChI=1S/C16H14ClN3/c1-11-3-2-10-20-14(11)18-19-15(20)16(8-9-16)12-4-6-13(17)7-5-12/h2-7,10H,8-9H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 8.80E+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 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50054691
(CHEMBL3318978)Show InChI InChI=1S/C18H16ClN3/c19-14-7-5-13(6-8-14)18(9-10-18)17-21-20-16-15(12-3-4-12)2-1-11-22(16)17/h1-2,5-8,11-12H,3-4,9-10H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| 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 5: 803-8 (2014)
Article DOI: 10.1021/ml500144h BindingDB Entry DOI: 10.7270/Q2N0186W |
More data for this Ligand-Target Pair | |