Found 469 hits with Last Name = 'hermanowski-vosatka' and Initial = 'a' 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)) | BDBM50260704
(3-(2-chlorophenyl)-5-(1-(4-chlorophenyl)cyclobutyl...)Show InChI InChI=1S/C19H17Cl2N3/c1-24-17(15-5-2-3-6-16(15)21)22-23-18(24)19(11-4-12-19)13-7-9-14(20)10-8-13/h2-3,5-10H,4,11-12H2,1H3 | 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 | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta HSD1 by SPA assay |
Bioorg Med Chem Lett 18: 3405-11 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50260624
(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,...)Show InChI InChI=1S/C19H18ClN3O/c1-23-17(13-3-9-16(24)10-4-13)21-22-18(23)19(11-2-12-19)14-5-7-15(20)8-6-14/h3-10,24H,2,11-12H2,1H3 | 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 | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta HSD1 by SPA assay |
Bioorg Med Chem Lett 18: 3405-11 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50260967
(3-(2-chloro-4-(2-(trifluoromethyl)-1H-imidazol-1-y...)Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-n1ccnc1C(F)(F)F Show InChI InChI=1S/C23H18Cl2F3N5/c1-32-19(30-31-20(32)22(9-2-10-22)14-3-5-15(24)6-4-14)17-8-7-16(13-18(17)25)33-12-11-29-21(33)23(26,27)28/h3-8,11-13H,2,9-10H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.960 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay |
Bioorg Med Chem Lett 18: 3405-11 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50260967
(3-(2-chloro-4-(2-(trifluoromethyl)-1H-imidazol-1-y...)Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-n1ccnc1C(F)(F)F Show InChI InChI=1S/C23H18Cl2F3N5/c1-32-19(30-31-20(32)22(9-2-10-22)14-3-5-15(24)6-4-14)17-8-7-16(13-18(17)25)33-12-11-29-21(33)23(26,27)28/h3-8,11-13H,2,9-10H2,1H3 | 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 | 0.980 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta HSD1 by SPA assay |
Bioorg Med Chem Lett 18: 3405-11 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50377747
(CHEMBL258388)Show SMILES Cn1c(nnc1-c1ccccc1C(F)(F)F)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C17H11F6N3/c1-26-14(10-6-2-4-8-12(10)16(18,19)20)24-25-15(26)11-7-3-5-9-13(11)17(21,22)23/h2-9H,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 | 0.980 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 18: 2799-804 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50261050
(3-(3-Chloro-3'-ethanesulfonyl-biphenyl-4-yl)-5-[1-...)Show SMILES CCS(=O)(=O)c1cccc(c1)-c1ccc(-c2nnc(n2C)C2(CCC2)c2ccc(Cl)cc2)c(Cl)c1 Show InChI InChI=1S/C27H25Cl2N3O2S/c1-3-35(33,34)22-7-4-6-18(16-22)19-8-13-23(24(29)17-19)25-30-31-26(32(25)2)27(14-5-15-27)20-9-11-21(28)12-10-20/h4,6-13,16-17H,3,5,14-15H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.980 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay |
Bioorg Med Chem Lett 18: 3405-11 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50261009
(3-(3-Chloro-4'-ethanesulfonyl-biphenyl-4-yl)-5-[1-...)Show SMILES CCS(=O)(=O)c1ccc(cc1)-c1ccc(-c2nnc(n2C)C2(CCC2)c2ccc(Cl)cc2)c(Cl)c1 Show InChI InChI=1S/C27H25Cl2N3O2S/c1-3-35(33,34)22-12-5-18(6-13-22)19-7-14-23(24(29)17-19)25-30-31-26(32(25)2)27(15-4-16-27)20-8-10-21(28)11-9-20/h5-14,17H,3-4,15-16H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.980 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay |
Bioorg Med Chem Lett 18: 3405-11 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50377735
(CHEMBL257779)Show SMILES Cn1c(nnc1-c1cccc2n(C)ccc12)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C19H15F3N4/c1-25-11-10-12-13(7-5-9-16(12)25)17-23-24-18(26(17)2)14-6-3-4-8-15(14)19(20,21)22/h3-11H,1-2H3 | 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 | 0.980 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 18: 2799-804 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50377736
(CHEMBL403898)Show InChI InChI=1S/C18H15ClN4/c1-22-11-10-12-13(7-5-9-16(12)22)17-20-21-18(23(17)2)14-6-3-4-8-15(14)19/h3-11H,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 | 0.980 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 18: 2799-804 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50261010
(3-(3-Chloro-2'-ethanesulfonyl-biphenyl-4-yl)-5-[1-...)Show SMILES CCS(=O)(=O)c1ccccc1-c1ccc(-c2nnc(n2C)C2(CCC2)c2ccc(Cl)cc2)c(Cl)c1 Show InChI InChI=1S/C27H25Cl2N3O2S/c1-3-35(33,34)24-8-5-4-7-21(24)18-9-14-22(23(29)17-18)25-30-31-26(32(25)2)27(15-6-16-27)19-10-12-20(28)13-11-19/h4-5,7-14,17H,3,6,15-16H2,1-2H3 | 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 | 0.980 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta HSD1 by SPA assay |
Bioorg Med Chem Lett 18: 3405-11 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50261050
(3-(3-Chloro-3'-ethanesulfonyl-biphenyl-4-yl)-5-[1-...)Show SMILES CCS(=O)(=O)c1cccc(c1)-c1ccc(-c2nnc(n2C)C2(CCC2)c2ccc(Cl)cc2)c(Cl)c1 Show InChI InChI=1S/C27H25Cl2N3O2S/c1-3-35(33,34)22-7-4-6-18(16-22)19-8-13-23(24(29)17-19)25-30-31-26(32(25)2)27(14-5-15-27)20-9-11-21(28)12-10-20/h4,6-13,16-17H,3,5,14-15H2,1-2H3 | 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 | 0.980 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta HSD1 by SPA assay |
Bioorg Med Chem Lett 18: 3405-11 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50260939
(3-(3-Chloro-3'-methanesulfonyl-biphenyl-4-yl)-5-[1...)Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1cccc(c1)S(C)(=O)=O Show InChI InChI=1S/C26H23Cl2N3O2S/c1-31-24(29-30-25(31)26(13-4-14-26)19-8-10-20(27)11-9-19)22-12-7-18(16-23(22)28)17-5-3-6-21(15-17)34(2,32)33/h3,5-12,15-16H,4,13-14H2,1-2H3 | 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 | 0.980 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta HSD1 by SPA assay |
Bioorg Med Chem Lett 18: 3405-11 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50260939
(3-(3-Chloro-3'-methanesulfonyl-biphenyl-4-yl)-5-[1...)Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1cccc(c1)S(C)(=O)=O Show InChI InChI=1S/C26H23Cl2N3O2S/c1-31-24(29-30-25(31)26(13-4-14-26)19-8-10-20(27)11-9-19)22-12-7-18(16-23(22)28)17-5-3-6-21(15-17)34(2,32)33/h3,5-12,15-16H,4,13-14H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.980 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay |
Bioorg Med Chem Lett 18: 3405-11 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50377878
(CHEMBL258447)Show InChI InChI=1S/C18H23N3/c1-14-7-9-15(10-8-14)18(11-12-18)17-20-19-16-6-4-2-3-5-13-21(16)17/h7-10H,2-6,11-13H2,1H3 | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 by SPA assay |
Bioorg Med Chem Lett 18: 3412-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.014
BindingDB Entry DOI: 10.7270/Q2H99625 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50260880
(3-(3-Chloro-biphenyl-4-yl)-5-[1-(4-chloro-phenyl)-...)Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1ccccc1 Show InChI InChI=1S/C25H21Cl2N3/c1-30-23(21-13-8-18(16-22(21)27)17-6-3-2-4-7-17)28-29-24(30)25(14-5-15-25)19-9-11-20(26)12-10-19/h2-4,6-13,16H,5,14-15H2,1H3 | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta HSD1 by SPA assay |
Bioorg Med Chem Lett 18: 3405-11 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50377881
(CHEMBL256720)Show InChI InChI=1S/C18H22FN3/c19-15-9-5-4-8-14(15)18(11-7-12-18)17-21-20-16-10-3-1-2-6-13-22(16)17/h4-5,8-9H,1-3,6-7,10-13H2 | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 by SPA assay |
Bioorg Med Chem Lett 18: 3412-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.014
BindingDB Entry DOI: 10.7270/Q2H99625 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50377883
(CHEMBL256291)Show InChI InChI=1S/C19H24FN3/c20-16-10-5-4-9-15(16)19(12-6-7-13-19)18-22-21-17-11-3-1-2-8-14-23(17)18/h4-5,9-10H,1-3,6-8,11-14H2 | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 by SPA assay |
Bioorg Med Chem Lett 18: 3412-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.014
BindingDB Entry DOI: 10.7270/Q2H99625 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50377880
(CHEMBL404436)Show InChI InChI=1S/C19H25N3/c1-15-9-5-6-10-16(15)19(12-8-13-19)18-21-20-17-11-4-2-3-7-14-22(17)18/h5-6,9-10H,2-4,7-8,11-14H2,1H3 | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 by SPA assay |
Bioorg Med Chem Lett 18: 3412-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.014
BindingDB Entry DOI: 10.7270/Q2H99625 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50260908
(3-(3-chloro-4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-...)Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1cccnc1 Show InChI InChI=1S/C24H20Cl2N4/c1-30-22(20-10-5-16(14-21(20)26)17-4-2-13-27-15-17)28-29-23(30)24(11-3-12-24)18-6-8-19(25)9-7-18/h2,4-10,13-15H,3,11-12H2,1H3 | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta HSD1 by SPA assay |
Bioorg Med Chem Lett 18: 3405-11 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50260910
(4-(3-chloro-4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-...)Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1ccncc1 Show InChI InChI=1S/C24H20Cl2N4/c1-30-22(20-8-3-17(15-21(20)26)16-9-13-27-14-10-16)28-29-23(30)24(11-2-12-24)18-4-6-19(25)7-5-18/h3-10,13-15H,2,11-12H2,1H3 | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta HSD1 by SPA assay |
Bioorg Med Chem Lett 18: 3405-11 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50260936
(2-(3-chloro-4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-...)Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1ccccn1 Show InChI InChI=1S/C24H20Cl2N4/c1-30-22(19-11-6-16(15-20(19)26)21-5-2-3-14-27-21)28-29-23(30)24(12-4-13-24)17-7-9-18(25)10-8-17/h2-3,5-11,14-15H,4,12-13H2,1H3 | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta HSD1 by SPA assay |
Bioorg Med Chem Lett 18: 3405-11 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50260938
(3-(2-chloro-4-(1H-imidazol-1-yl)phenyl)-5-(1-(4-ch...)Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-n1ccnc1 Show InChI InChI=1S/C22H19Cl2N5/c1-28-20(18-8-7-17(13-19(18)24)29-12-11-25-14-29)26-27-21(28)22(9-2-10-22)15-3-5-16(23)6-4-15/h3-8,11-14H,2,9-10H2,1H3 | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta HSD1 by SPA assay |
Bioorg Med Chem Lett 18: 3405-11 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50260666
(3-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,...)Show InChI InChI=1S/C19H18ClN3O/c1-23-17(13-4-2-5-16(24)12-13)21-22-18(23)19(10-3-11-19)14-6-8-15(20)9-7-14/h2,4-9,12,24H,3,10-11H2,1H3 | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta HSD1 by SPA assay |
Bioorg Med Chem Lett 18: 3405-11 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50260705
(3-(3-chlorophenyl)-5-(1-(4-chlorophenyl)cyclobutyl...)Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1cccc(Cl)c1 Show InChI InChI=1S/C19H17Cl2N3/c1-24-17(13-4-2-5-16(21)12-13)22-23-18(24)19(10-3-11-19)14-6-8-15(20)9-7-14/h2,4-9,12H,3,10-11H2,1H3 | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta HSD1 by SPA assay |
Bioorg Med Chem Lett 18: 3405-11 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50260793
(3-(1-(4-chlorophenyl)cyclobutyl)-5-(2,4-dichloroph...)Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C19H16Cl3N3/c1-25-17(15-8-7-14(21)11-16(15)22)23-24-18(25)19(9-2-10-19)12-3-5-13(20)6-4-12/h3-8,11H,2,9-10H2,1H3 | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta HSD1 by SPA assay |
Bioorg Med Chem Lett 18: 3405-11 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50377869
(CHEMBL402552)Show InChI InChI=1S/C18H23N3/c1-2-7-14-21-16(11-6-1)19-20-17(21)18(12-8-13-18)15-9-4-3-5-10-15/h3-5,9-10H,1-2,6-8,11-14H2 | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 by SPA assay |
Bioorg Med Chem Lett 18: 3412-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.014
BindingDB Entry DOI: 10.7270/Q2H99625 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50239407
(3-(1-(4-chlorophenyl)cyclobutyl)-5,6,7,8,9,10-hexa...)Show InChI InChI=1S/C18H22ClN3/c19-15-9-7-14(8-10-15)18(11-5-12-18)17-21-20-16-6-3-1-2-4-13-22(16)17/h7-10H,1-6,11-13H2 | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11-beta-HSD1 by SPA assay |
Bioorg Med Chem Lett 18: 3412-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.014
BindingDB Entry DOI: 10.7270/Q2H99625 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50377756
(CHEMBL256298)Show InChI InChI=1S/C16H11BrF3N3/c1-23-14(10-6-2-4-8-12(10)16(18,19)20)21-22-15(23)11-7-3-5-9-13(11)17/h2-9H,1H3 | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 18: 2799-804 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50377736
(CHEMBL403898)Show InChI InChI=1S/C18H15ClN4/c1-22-11-10-12-13(7-5-9-16(12)22)17-20-21-18(23(17)2)14-6-3-4-8-15(14)19/h3-11H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 18: 2799-804 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50260937
(3-(3-Chloro-4'-methanesulfonyl-biphenyl-4-yl)-5-[1...)Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C26H23Cl2N3O2S/c1-31-24(29-30-25(31)26(14-3-15-26)19-7-9-20(27)10-8-19)22-13-6-18(16-23(22)28)17-4-11-21(12-5-17)34(2,32)33/h4-13,16H,3,14-15H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay |
Bioorg Med Chem Lett 18: 3405-11 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50261010
(3-(3-Chloro-2'-ethanesulfonyl-biphenyl-4-yl)-5-[1-...)Show SMILES CCS(=O)(=O)c1ccccc1-c1ccc(-c2nnc(n2C)C2(CCC2)c2ccc(Cl)cc2)c(Cl)c1 Show InChI InChI=1S/C27H25Cl2N3O2S/c1-3-35(33,34)24-8-5-4-7-21(24)18-9-14-22(23(29)17-18)25-30-31-26(32(25)2)27(15-6-16-27)19-10-12-20(28)13-11-19/h4-5,7-14,17H,3,6,15-16H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay |
Bioorg Med Chem Lett 18: 3405-11 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50239407
(3-(1-(4-chlorophenyl)cyclobutyl)-5,6,7,8,9,10-hexa...)Show InChI InChI=1S/C18H22ClN3/c19-15-9-7-14(8-10-15)18(11-5-12-18)17-21-20-16-6-3-1-2-4-13-22(16)17/h7-10H,1-6,11-13H2 | 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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta HSD1 by SPA assay |
Bioorg Med Chem Lett 18: 3405-11 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50260908
(3-(3-chloro-4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-...)Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1cccnc1 Show InChI InChI=1S/C24H20Cl2N4/c1-30-22(20-10-5-16(14-21(20)26)17-4-2-13-27-15-17)28-29-23(30)24(11-3-12-24)18-6-8-19(25)9-7-18/h2,4-10,13-15H,3,11-12H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay |
Bioorg Med Chem Lett 18: 3405-11 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50377746
(CHEMBL403811)Show InChI InChI=1S/C16H10Cl2F3N3/c1-24-14(10-4-2-3-5-12(10)16(19,20)21)22-23-15(24)11-7-6-9(17)8-13(11)18/h2-8H,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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 18: 2799-804 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50377712
(CHEMBL401909)Show SMILES Cn1c(nnc1-c1ccccc1C(F)(F)F)-c1ccccc1OC(F)(F)F Show InChI InChI=1S/C17H11F6N3O/c1-26-14(10-6-2-4-8-12(10)16(18,19)20)24-25-15(26)11-7-3-5-9-13(11)27-17(21,22)23/h2-9H,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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 18: 2799-804 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50377735
(CHEMBL257779)Show SMILES Cn1c(nnc1-c1cccc2n(C)ccc12)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C19H15F3N4/c1-25-11-10-12-13(7-5-9-16(12)25)17-23-24-18(26(17)2)14-6-3-4-8-15(14)19(20,21)22/h3-11H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 18: 2799-804 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50260880
(3-(3-Chloro-biphenyl-4-yl)-5-[1-(4-chloro-phenyl)-...)Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1ccccc1 Show InChI InChI=1S/C25H21Cl2N3/c1-30-23(21-13-8-18(16-22(21)27)17-6-3-2-4-7-17)28-29-24(30)25(14-5-15-25)19-9-11-20(26)12-10-19/h2-4,6-13,16H,5,14-15H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay |
Bioorg Med Chem Lett 18: 3405-11 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50260936
(2-(3-chloro-4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-...)Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1ccccn1 Show InChI InChI=1S/C24H20Cl2N4/c1-30-22(19-11-6-16(15-20(19)26)21-5-2-3-14-27-21)28-29-23(30)24(12-4-13-24)17-7-9-18(25)10-8-17/h2-3,5-11,14-15H,4,12-13H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay |
Bioorg Med Chem Lett 18: 3405-11 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50377730
(CHEMBL257601)Show SMILES CNc1c(ccc2ccccc12)-c1nnc(-c2ccccc2C(F)(F)F)n1C Show InChI InChI=1S/C21H17F3N4/c1-25-18-14-8-4-3-7-13(14)11-12-16(18)20-27-26-19(28(20)2)15-9-5-6-10-17(15)21(22,23)24/h3-12,25H,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 | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 18: 2799-804 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50174299
(2,2,2-trifluoro-1-(4-(5-(4-(4-methyl-5-(2-(trifluo...)Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(cc1)C(O)C(F)(F)F)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C28H25F6N5O2/c1-39-22(18-4-2-3-5-19(18)27(29,30)31)36-37-23(39)25-10-13-26(14-11-25,15-12-25)24-35-21(38-41-24)17-8-6-16(7-9-17)20(40)28(32,33)34/h2-9,20,40H,10-15H2,1H3 | 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 | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibitory activity against human 11beta-HSD1 |
Bioorg Med Chem Lett 15: 5266-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.052
BindingDB Entry DOI: 10.7270/Q2QC031M |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50260706
(3-(1-(4-chlorophenyl)cyclobutyl)-5-(4-fluorophenyl...)Show InChI InChI=1S/C19H17ClFN3/c1-24-17(13-3-9-16(21)10-4-13)22-23-18(24)19(11-2-12-19)14-5-7-15(20)8-6-14/h3-10H,2,11-12H2,1H3 | 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 | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta HSD1 by SPA assay |
Bioorg Med Chem Lett 18: 3405-11 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50174288
(3-(4-(5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)bic...)Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nnc([nH]1)-c1ccc(F)cc1)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C26H24F4N6/c1-36-21(18-4-2-3-5-19(18)26(28,29)30)33-35-23(36)25-13-10-24(11-14-25,12-15-25)22-31-20(32-34-22)16-6-8-17(27)9-7-16/h2-9H,10-15H2,1H3,(H,31,32,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibitory activity against mouse 11beta-HSD1 |
Bioorg Med Chem Lett 15: 5266-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.052
BindingDB Entry DOI: 10.7270/Q2QC031M |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50260623
(3-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-5-phenyl...)Show InChI InChI=1S/C19H18ClN3/c1-23-17(14-6-3-2-4-7-14)21-22-18(23)19(12-5-13-19)15-8-10-16(20)11-9-15/h2-4,6-11H,5,12-13H2,1H3 | 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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta HSD1 by SPA assay |
Bioorg Med Chem Lett 18: 3405-11 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50260937
(3-(3-Chloro-4'-methanesulfonyl-biphenyl-4-yl)-5-[1...)Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C26H23Cl2N3O2S/c1-31-24(29-30-25(31)26(14-3-15-26)19-7-9-20(27)10-8-19)22-13-6-18(16-23(22)28)17-4-11-21(12-5-17)34(2,32)33/h4-13,16H,3,14-15H2,1-2H3 | 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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta HSD1 by SPA assay |
Bioorg Med Chem Lett 18: 3405-11 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50260825
(3-(4-tert-butylphenyl)-5-(1-(4-chlorophenyl)cyclob...)Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C23H26ClN3/c1-22(2,3)17-8-6-16(7-9-17)20-25-26-21(27(20)4)23(14-5-15-23)18-10-12-19(24)13-11-18/h6-13H,5,14-15H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay |
Bioorg Med Chem Lett 18: 3405-11 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50174284
(4-methyl-3-(4-(3-(4-(methylsulfonyl)phenyl)-1,2,4-...)Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(cc1)S(C)(=O)=O)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C27H26F3N5O3S/c1-35-22(19-5-3-4-6-20(19)27(28,29)30)32-33-23(35)25-11-14-26(15-12-25,16-13-25)24-31-21(34-38-24)17-7-9-18(10-8-17)39(2,36)37/h3-10H,11-16H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibitory activity against mouse 11beta-HSD1 |
Bioorg Med Chem Lett 15: 5266-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.052
BindingDB Entry DOI: 10.7270/Q2QC031M |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50260625
(2-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,...)Show InChI InChI=1S/C19H18ClN3O/c1-23-17(15-5-2-3-6-16(15)24)21-22-18(23)19(11-4-12-19)13-7-9-14(20)10-8-13/h2-3,5-10,24H,4,11-12H2,1H3 | 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 | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta HSD1 by SPA assay |
Bioorg Med Chem Lett 18: 3405-11 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50174298
(3-(4-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)bicy...)Show SMILES Cn1c(nnc1C12CCC(CC1)(CC2)c1nc(no1)-c1ccc(F)cc1)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C26H23F4N5O/c1-35-21(18-4-2-3-5-19(18)26(28,29)30)32-33-22(35)24-10-13-25(14-11-24,15-12-24)23-31-20(34-36-23)16-6-8-17(27)9-7-16/h2-9H,10-15H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibitory activity against mouse 11beta-HSD1 |
Bioorg Med Chem Lett 15: 5266-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.052
BindingDB Entry DOI: 10.7270/Q2QC031M |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50377724
(CHEMBL401883)Show SMILES COc1c(ccc2ccc(Cl)cc12)-c1nnc(-c2ccccc2S(C)(=O)=O)n1C Show InChI InChI=1S/C21H18ClN3O3S/c1-25-20(15-6-4-5-7-18(15)29(3,26)27)23-24-21(25)16-11-9-13-8-10-14(22)12-17(13)19(16)28-2/h4-12H,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 18: 2799-804 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50377724
(CHEMBL401883)Show SMILES COc1c(ccc2ccc(Cl)cc12)-c1nnc(-c2ccccc2S(C)(=O)=O)n1C Show InChI InChI=1S/C21H18ClN3O3S/c1-25-20(15-6-4-5-7-18(15)29(3,26)27)23-24-21(25)16-11-9-13-8-10-14(22)12-17(13)19(16)28-2/h4-12H,1-3H3 | 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 | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 18: 2799-804 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.010
BindingDB Entry DOI: 10.7270/Q2J9678F |
More data for this
Ligand-Target Pair | |
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