Found 783 hits with Last Name = 'ahn' and Initial = 'jh' 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 |
|---|
Dipeptidyl peptidase 4
(Sus scrofa (pig)) | BDBM50206821
((R)-3-amino-1-(2-benzoylpiperazin-1-yl)-4-(2,4,5-t...)Show SMILES N[C@@H](CC(=O)N1CCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F Show InChI InChI=1S/C21H22F3N3O2/c22-17-13-19(24)18(23)11-15(17)10-16(25)12-20(28)26-8-4-5-9-27(26)21(29)14-6-2-1-3-7-14/h1-3,6-7,11,13,16H,4-5,8-10,12,25H2/t16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of pig kidney DPP4 |
Bioorg Med Chem Lett 17: 2622-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.111
BindingDB Entry DOI: 10.7270/Q21V5FS4 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Sus scrofa (pig)) | BDBM50206820
((R)-3-amino-1-(2-benzoyl-1,2-diazepan-1-yl)-4-(2,4...)Show SMILES N[C@@H](CC(=O)N1CCCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F Show InChI InChI=1S/C22H24F3N3O2/c23-18-14-20(25)19(24)12-16(18)11-17(26)13-21(29)27-9-5-2-6-10-28(27)22(30)15-7-3-1-4-8-15/h1,3-4,7-8,12,14,17H,2,5-6,9-11,13,26H2/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 56.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of pig kidney DPP4 |
Bioorg Med Chem Lett 17: 2622-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.111
BindingDB Entry DOI: 10.7270/Q21V5FS4 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM167443
(US9073906, 128)Show SMILES CC1CCN(c2c(Cl)cc(Cl)cc2Cl)S(=O)(=O)N1CC(=O)NC1C2CC3CC1CC(C3)(C2)C(N)=O |TLB:21:22:24:29.30.31,21:22:29.28.31:24.25.26,32:29:24:22.27.26,THB:30:29:22:24.25.26,30:25:22:29.28.31,28:29:24:22.27.26,28:27:24:29.30.31,(.07,1.54,;-1.26,.77,;-2.6,1.54,;-3.93,.77,;-3.93,-.77,;-5.27,-1.54,;-6.6,-.77,;-6.6,.77,;-7.93,-1.54,;-7.93,-3.08,;-9.27,-3.85,;-6.6,-3.85,;-5.27,-3.08,;-3.93,-3.85,;-2.6,-1.54,;-3.37,-2.88,;-1.83,-2.88,;-1.26,-.77,;.07,-1.54,;1.4,-.77,;1.4,.77,;2.74,-1.54,;4.07,-.77,;4.39,1.28,;3.99,2.77,;5.08,3.85,;4.65,2.53,;5.25,.21,;6.59,-.13,;6.96,1.97,;6.56,3.45,;5.87,.88,;8.5,1.97,;9.27,3.3,;9.27,.63,)| Show InChI InChI=1S/C23H29Cl3N4O4S/c1-12-2-3-29(21-17(25)6-16(24)7-18(21)26)35(33,34)30(12)11-19(31)28-20-14-4-13-5-15(20)10-23(8-13,9-14)22(27)32/h6-7,12-15,20H,2-5,8-11H2,1H3,(H2,27,32)(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM167438
(US9073906, 88)Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2 |TLB:10:9:6:3.4.8,10:9:3.33.8:6.5.32,1:3:9:6.5.32,THB:33:3:6:9.31.32,33:31:6:3.4.8,4:3:9:6.5.32,4:5:9:3.33.8,(9.04,3.66,;8.27,2.32,;9.04,.99,;6.73,2.32,;6.11,3.73,;4.59,3.9,;3.68,2.66,;4.29,1.25,;5.83,1.08,;4.29,-.82,;2.96,-1.59,;1.63,-.82,;1.63,.72,;.29,-1.59,;-1.04,-.82,;-1.04,.72,;-2.37,1.49,;-3.71,.72,;-3.71,-.82,;-5.04,-1.59,;-6.37,-.82,;-6.37,.72,;-7.71,-1.59,;-7.71,-3.13,;-9.04,-3.9,;-6.37,-3.9,;-5.04,-3.13,;-3.71,-3.9,;-2.37,-1.59,;-1.6,-2.93,;-3.14,-2.93,;5.31,.33,;4.37,2.53,;6.68,.2,)| Show InChI InChI=1S/C22H27Cl3N4O4S/c23-15-6-16(24)20(17(25)7-15)29-3-1-2-28(34(29,32)33)11-18(30)27-19-13-4-12-5-14(19)10-22(8-12,9-13)21(26)31/h6-7,12-14,19H,1-5,8-11H2,(H2,26,31)(H,27,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50540335
(CHEMBL4635010)Show SMILES CN1CCC(CC1)N(Cc1ccc(F)cc1)C(=O)NCc1ccc(OCC(O)CN2CCC(CC2)c2noc3cc(F)ccc23)cc1 Show InChI InChI=1S/C36H43F2N5O4/c1-41-16-14-30(15-17-41)43(22-26-2-6-28(37)7-3-26)36(45)39-21-25-4-9-32(10-5-25)46-24-31(44)23-42-18-12-27(13-19-42)35-33-11-8-29(38)20-34(33)47-40-35/h2-11,20,27,30-31,44H,12-19,21-24H2,1H3,(H,39,45) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.390 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Antagonist activity at 5HT2A receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of serotonin hydrochloride-induced calcium fl... |
J Med Chem 63: 4171-4182 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00002
BindingDB Entry DOI: 10.7270/Q2CZ3BPX |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM167440
(US9073906, 122)Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCCN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2 |TLB:1:3:6:9.32.33,10:9:6:3.4.8,10:9:3.34.8:6.5.33,THB:4:3:9:6.5.33,4:5:9:3.34.8,34:3:6:9.32.33,34:32:6:3.4.8,(9.32,3.3,;8.55,1.97,;9.32,.63,;7.01,1.97,;6.61,3.45,;5.13,3.85,;4.04,2.77,;4.44,1.28,;5.93,.88,;4.12,-.77,;2.79,-1.54,;1.46,-.77,;1.46,.77,;.12,-1.54,;-1.21,-.77,;-.87,.73,;-1.83,1.93,;-3.37,1.93,;-4.33,.73,;-3.99,-.77,;-5.32,-1.54,;-6.65,-.77,;-6.65,.77,;-7.99,-1.54,;-7.99,-3.08,;-9.32,-3.85,;-6.65,-3.85,;-5.32,-3.08,;-3.99,-3.85,;-2.6,-1.44,;-3.37,-2.77,;-1.83,-2.77,;5.31,.21,;4.7,2.53,;6.64,-.13,)| Show InChI InChI=1S/C23H29Cl3N4O4S/c24-16-7-17(25)21(18(26)8-16)30-4-2-1-3-29(35(30,33)34)12-19(31)28-20-14-5-13-6-15(20)11-23(9-13,10-14)22(27)32/h7-8,13-15,20H,1-6,9-12H2,(H2,27,32)(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50540327
(CHEMBL4644559)Show SMILES Cl.CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCNCC2)cc1 Show InChI InChI=1S/C24H32FN3O2/c1-18(2)17-30-23-9-5-19(6-10-23)15-27-24(29)28(22-11-13-26-14-12-22)16-20-3-7-21(25)8-4-20/h3-10,18,22,26H,11-17H2,1-2H3,(H,27,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Antagonist activity at 5HT2A receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of serotonin hydrochloride-induced calcium fl... |
J Med Chem 63: 4171-4182 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00002
BindingDB Entry DOI: 10.7270/Q2CZ3BPX |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM167441
(US9073906, 123)Show SMILES CN(CC(=O)NC1C2CC3CC1CC(C3)(C2)C(N)=O)S(=O)(=O)N(C)c1c(Cl)cc(Cl)cc1Cl |TLB:5:6:8:13.14.15,5:6:13.12.15:8.9.10,16:13:8:6.11.10,THB:14:13:6:8.9.10,14:9:6:13.12.15,12:13:8:6.11.10,12:11:8:13.14.15,(-1.26,.77,;-1.26,-.77,;.07,-1.54,;1.4,-.77,;1.4,.77,;2.74,-1.54,;4.07,-.77,;4.39,1.28,;3.99,2.77,;5.08,3.85,;4.65,2.53,;5.25,.21,;6.59,-.13,;6.96,1.97,;6.56,3.45,;5.87,.88,;8.5,1.97,;9.27,3.3,;9.27,.63,;-2.6,-1.54,;-3.37,-2.88,;-1.83,-2.88,;-3.93,-.77,;-3.93,.77,;-5.27,-1.54,;-6.6,-.77,;-6.6,.77,;-7.93,-1.54,;-7.93,-3.08,;-9.27,-3.85,;-6.6,-3.85,;-5.27,-3.08,;-3.93,-3.85,)| Show InChI InChI=1S/C21H27Cl3N4O4S/c1-27(33(31,32)28(2)19-15(23)5-14(22)6-16(19)24)10-17(29)26-18-12-3-11-4-13(18)9-21(7-11,8-12)20(25)30/h5-6,11-13,18H,3-4,7-10H2,1-2H3,(H2,25,30)(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50540334
(CHEMBL4647697)Show SMILES CN1CCC(CC1)N(Cc1ccc(F)cc1)C(=O)NCc1ccc(OCC(O)CN2CCN(CC2)c2nsc3ccccc23)cc1 Show InChI InChI=1S/C35H43FN6O3S/c1-39-16-14-29(15-17-39)42(23-27-6-10-28(36)11-7-27)35(44)37-22-26-8-12-31(13-9-26)45-25-30(43)24-40-18-20-41(21-19-40)34-32-4-2-3-5-33(32)46-38-34/h2-13,29-30,43H,14-25H2,1H3,(H,37,44) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.870 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Antagonist activity at 5HT2A receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of serotonin hydrochloride-induced calcium fl... |
J Med Chem 63: 4171-4182 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00002
BindingDB Entry DOI: 10.7270/Q2CZ3BPX |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM167444
(US9073906, 156)Show SMILES CC1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(Cl)cc1Cl |TLB:7:8:10:15.16.17,7:8:15.14.17:10.11.12,18:15:10:8.13.12,THB:16:15:8:10.11.12,16:11:8:15.14.17,14:15:10:8.13.12,14:13:10:15.16.17,18:15:8:10.11.12,(-2.33,2.4,;-2.33,.86,;-.99,.09,;-.99,-1.45,;.34,-2.22,;1.68,-1.45,;1.68,.09,;3.01,-2.22,;4.34,-1.45,;4.11,.62,;3.34,1.95,;4.11,3.28,;4.04,1.9,;5.23,-.19,;6.61,-.17,;6.42,1.95,;5.65,3.28,;5.65,.62,;7.51,3.04,;8.99,2.64,;7.11,4.53,;-2.33,-2.22,;-3.1,-3.55,;-1.56,-3.55,;-3.66,-1.45,;-3.66,.09,;-4.99,-2.22,;-6.33,-1.45,;-6.33,.09,;-7.66,-2.22,;-7.66,-3.76,;-8.99,-4.53,;-6.33,-4.53,;-4.99,-3.76,;-3.66,-4.53,)| Show InChI InChI=1S/C23H29Cl3N4O4S/c1-12-9-29(35(33,34)30(10-12)21-17(25)4-16(24)5-18(21)26)11-19(31)28-20-14-2-13-3-15(20)8-23(6-13,7-14)22(27)32/h4-5,12-15,20H,2-3,6-11H2,1H3,(H2,27,32)(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50537922
(CHEMBL4645319)Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCN(c4c(Cl)cc(cc4Cl)C(F)(F)F)S1(=O)=O)C(C3)C2 |TLB:35:34:8:6.5.4,10:9:6.35.5:36.3.8,10:9:8:6.5.4,THB:35:5:9.34.36:8,4:5:9:36.3.8,4:3:9:6.35.5,(25.97,-44.51,;24.63,-43.75,;24.62,-42.21,;23.31,-44.52,;23.8,-45.96,;22.65,-46.97,;21.46,-46.15,;20.94,-44.82,;22.05,-43.83,;19.18,-44.78,;17.84,-45.53,;16.52,-44.75,;16.53,-43.21,;15.18,-45.51,;13.85,-44.73,;13.87,-43.19,;12.55,-42.41,;11.21,-43.16,;11.19,-44.7,;9.85,-45.46,;9.84,-46.99,;11.17,-47.77,;8.5,-47.75,;7.17,-46.96,;7.19,-45.42,;8.53,-44.67,;8.55,-43.13,;5.83,-47.72,;4.5,-46.94,;5.81,-49.26,;4.49,-48.48,;12.52,-45.49,;13.28,-46.82,;11.74,-46.81,;20.5,-45.63,;21.01,-47.06,;21.68,-44.56,)| Show InChI InChI=1S/C23H27Cl2F3N4O4S/c24-16-6-15(23(26,27)28)7-17(25)20(16)32-3-1-2-31(37(32,35)36)11-18(33)30-19-13-4-12-5-14(19)10-22(8-12,9-13)21(29)34/h6-7,12-14,19H,1-5,8-11H2,(H2,29,34)(H,30,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHOK1 cells using XL665-labeled cortisol as substrate measured after 24 hrs by HTRF assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126787
BindingDB Entry DOI: 10.7270/Q2TX3JWS |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50337787
((R)-2-(4-(((S)-3-((R)-3-amino-4-(2,4,5-trifluoroph...)Show SMILES CC(C)[C@@H](Nc1ccc(CNC(=O)[C@@H]2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r| Show InChI InChI=1S/C26H31F3N4O4S/c1-14(2)23(26(36)37)32-18-5-3-15(4-6-18)13-31-24(35)25-33(7-8-38-25)22(34)11-17(30)9-16-10-20(28)21(29)12-19(16)27/h3-6,10,12,14,17,23,25,32H,7-9,11,13,30H2,1-2H3,(H,31,35)(H,36,37)/t17-,23-,25+/m1/s1 | 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 |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader |
Bioorg Med Chem Lett 21: 1366-70 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM167444
(US9073906, 156)Show SMILES CC1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(Cl)cc1Cl |TLB:7:8:10:15.16.17,7:8:15.14.17:10.11.12,18:15:10:8.13.12,THB:16:15:8:10.11.12,16:11:8:15.14.17,14:15:10:8.13.12,14:13:10:15.16.17,18:15:8:10.11.12,(-2.33,2.4,;-2.33,.86,;-.99,.09,;-.99,-1.45,;.34,-2.22,;1.68,-1.45,;1.68,.09,;3.01,-2.22,;4.34,-1.45,;4.11,.62,;3.34,1.95,;4.11,3.28,;4.04,1.9,;5.23,-.19,;6.61,-.17,;6.42,1.95,;5.65,3.28,;5.65,.62,;7.51,3.04,;8.99,2.64,;7.11,4.53,;-2.33,-2.22,;-3.1,-3.55,;-1.56,-3.55,;-3.66,-1.45,;-3.66,.09,;-4.99,-2.22,;-6.33,-1.45,;-6.33,.09,;-7.66,-2.22,;-7.66,-3.76,;-8.99,-4.53,;-6.33,-4.53,;-4.99,-3.76,;-3.66,-4.53,)| Show InChI InChI=1S/C23H29Cl3N4O4S/c1-12-9-29(35(33,34)30(10-12)21-17(25)4-16(24)5-18(21)26)11-19(31)28-20-14-2-13-3-15(20)8-23(6-13,7-14)22(27)32/h4-5,12-15,20H,2-3,6-11H2,1H3,(H2,27,32)(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in CHOK1 cells using XL665-labeled cortisol as substrate measured after 24 hrs by HTRF assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126787
BindingDB Entry DOI: 10.7270/Q2TX3JWS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50384518
(CHEMBL2036240)Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CCCN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2 |r,wU:9.10,wD:3.2,TLB:8:3:32:6.7.9,10:9:4.3.33:32,1:3:32:6.7.9,THB:8:7:4.3.33:32,9:7:4:33.31.32,9:31:4:6.8.7,(18.57,-16.7,;18.17,-15.21,;19.27,-14.12,;16.69,-14.8,;16.42,-16.34,;15.79,-14.71,;16.8,-13.73,;17.09,-12.31,;17.81,-13.78,;15.72,-11.64,;15.73,-10.1,;14.39,-9.33,;14.4,-7.79,;13.06,-10.09,;11.73,-9.32,;11.73,-7.77,;10.39,-6.98,;9.05,-7.77,;9.05,-9.32,;7.72,-10.09,;6.39,-9.32,;6.39,-7.78,;5.05,-10.09,;5.06,-11.64,;3.73,-12.42,;6.4,-12.4,;7.72,-11.63,;9.05,-12.39,;10.38,-10.08,;11.15,-11.42,;9.6,-11.41,;14.59,-12.65,;14.44,-14.07,;15.26,-14.13,)| Show InChI InChI=1S/C22H27Cl3N4O4S/c23-15-6-16(24)20(17(25)7-15)29-3-1-2-28(34(29,32)33)11-18(30)27-19-13-4-12-5-14(19)10-22(8-12,9-13)21(26)31/h6-7,12-14,19H,1-5,8-11H2,(H2,26,31)(H,27,30)/t12?,13?,14?,19-,22- | 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 |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay |
ACS Med Chem Lett 3: 88-93 (2012)
Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50384519
(CHEMBL2036239)Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CCCCN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2 |r,wU:9.10,wD:3.2,TLB:1:3:33:6.7.9,10:9:4.3.34:33,8:3:33:6.7.9,THB:8:7:4.3.34:33,9:7:4:34.32.33,9:32:4:6.8.7,(18.68,-16.84,;18.05,-15.43,;18.96,-14.19,;16.52,-15.27,;16.53,-16.75,;15.65,-15.33,;16.43,-14.23,;16.46,-12.86,;17.39,-14.11,;15.05,-12.47,;15.07,-10.93,;13.86,-9.97,;14.1,-8.44,;12.43,-10.53,;11.22,-9.56,;11.57,-8.05,;10.61,-6.85,;9.07,-6.84,;8.11,-8.04,;8.45,-9.55,;7.24,-10.51,;5.81,-9.93,;5.59,-8.41,;4.6,-10.89,;4.82,-12.42,;3.61,-13.37,;6.26,-12.98,;7.47,-12.03,;8.9,-12.59,;9.82,-10.22,;10.59,-11.55,;9.05,-11.55,;14.17,-13.62,;14.28,-14.97,;15.05,-14.88,)| Show InChI InChI=1S/C23H29Cl3N4O4S/c24-16-7-17(25)21(18(26)8-16)30-4-2-1-3-29(35(30,33)34)12-19(31)28-20-14-5-13-6-15(20)11-23(9-13,10-14)22(27)32/h7-8,13-15,20H,1-6,9-12H2,(H2,27,32)(H,28,31)/t13?,14?,15?,20-,23- | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay |
ACS Med Chem Lett 3: 88-93 (2012)
Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50384520
(CHEMBL2036232)Show SMILES CN(CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O)S(=O)(=O)N(C)c1c(Cl)cc(Cl)cc1Cl |r,wU:6.5,wD:13.18,TLB:5:6:14.13.12:10,16:13:10:8.7.6,15:13:10:8.7.6,6:7:14:12.11.10,THB:15:7:14.13.12:10,6:11:14:8.15.7,(12.01,-12.22,;12.01,-13.77,;13.34,-14.54,;14.67,-13.78,;14.68,-12.24,;16.01,-14.55,;16,-16.09,;17.37,-16.76,;17.08,-18.18,;16.06,-19.16,;14.72,-18.52,;14.87,-17.1,;15.54,-18.58,;16.97,-19.25,;16.7,-20.79,;18.09,-18.23,;18.45,-19.66,;18.85,-21.15,;19.55,-18.57,;10.66,-14.53,;11.43,-15.87,;9.88,-15.86,;9.33,-13.77,;9.33,-12.22,;8,-14.54,;6.67,-13.77,;6.67,-12.23,;5.33,-14.54,;5.34,-16.09,;4.01,-16.87,;6.68,-16.85,;8,-16.08,;9.33,-16.84,)| Show InChI InChI=1S/C21H27Cl3N4O4S/c1-27(33(31,32)28(2)19-15(23)5-14(22)6-16(19)24)10-17(29)26-18-12-3-11-4-13(18)9-21(7-11,8-12)20(25)30/h5-6,11-13,18H,3-4,7-10H2,1-2H3,(H2,25,30)(H,26,29)/t11?,12?,13?,18-,21- | 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 |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay |
ACS Med Chem Lett 3: 88-93 (2012)
Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50384521
(CHEMBL2036233)Show SMILES CC1CCN(c2c(Cl)cc(Cl)cc2Cl)S(=O)(=O)N1CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |r,wU:22.23,wD:29.36,TLB:31:29:26:24.23.22,21:22:30.29.28:26,32:29:26:24.23.22,22:23:30:28.27.26,THB:31:23:30.29.28:26,22:27:30:24.31.23,(13.06,-7.03,;11.73,-7.79,;10.39,-7.01,;9.05,-7.79,;9.05,-9.34,;7.72,-10.11,;6.39,-9.35,;6.39,-7.81,;5.05,-10.12,;5.06,-11.67,;3.73,-12.44,;6.4,-12.43,;7.72,-11.65,;9.05,-12.42,;10.38,-10.1,;11.15,-11.44,;9.6,-11.44,;11.73,-9.34,;13.06,-10.12,;14.39,-9.35,;14.4,-7.81,;15.73,-10.13,;15.72,-11.67,;17.09,-12.34,;16.8,-13.75,;15.78,-14.73,;14.44,-14.1,;14.59,-12.67,;15.26,-14.15,;16.69,-14.83,;16.42,-16.36,;17.81,-13.8,;18.17,-15.23,;18.57,-16.72,;19.27,-14.15,)| Show InChI InChI=1S/C23H29Cl3N4O4S/c1-12-2-3-29(21-17(25)6-16(24)7-18(21)26)35(33,34)30(12)11-19(31)28-20-14-4-13-5-15(20)10-23(8-13,9-14)22(27)32/h6-7,12-15,20H,2-5,8-11H2,1H3,(H2,27,32)(H,28,31)/t12?,13?,14?,15?,20-,23- | 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 |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay |
ACS Med Chem Lett 3: 88-93 (2012)
Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50384522
(CHEMBL2036234)Show SMILES CC1CN(CC(=O)N[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(Cl)cc1Cl |r,wU:8.7,wD:15.20,TLB:17:15:12:10.9.8,7:8:16.15.14:12,18:15:12:10.9.8,8:9:16:14.13.12,THB:17:9:16.15.14:12,8:13:16:10.17.9,(10.39,-6.25,;10.39,-7.79,;11.73,-8.57,;11.73,-10.12,;13.06,-10.89,;14.39,-10.13,;14.4,-8.59,;15.73,-10.9,;15.72,-12.44,;17.09,-13.12,;16.8,-14.53,;15.79,-15.51,;14.44,-14.87,;14.59,-13.45,;15.26,-14.93,;16.69,-15.6,;16.42,-17.14,;17.81,-14.58,;18.17,-16.01,;18.57,-17.5,;19.27,-14.93,;10.38,-10.88,;11.15,-12.22,;9.6,-12.21,;9.05,-10.12,;9.05,-8.57,;7.72,-10.89,;6.39,-10.12,;6.39,-8.58,;5.05,-10.9,;5.06,-12.44,;3.73,-13.22,;6.4,-13.2,;7.72,-12.43,;9.05,-13.2,)| Show InChI InChI=1S/C23H29Cl3N4O4S/c1-12-9-29(35(33,34)30(10-12)21-17(25)4-16(24)5-18(21)26)11-19(31)28-20-14-2-13-3-15(20)8-23(6-13,7-14)22(27)32/h4-5,12-15,20H,2-3,6-11H2,1H3,(H2,27,32)(H,28,31)/t12?,13?,14?,15?,20-,23- | 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 |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay |
ACS Med Chem Lett 3: 88-93 (2012)
Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50537918
(CHEMBL3951168)Show SMILES CC1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(cc1Cl)C(F)(F)F |TLB:18:15:10:8.12.13,7:8:10:15.16.17,THB:16:11:8:14.15.17,16:15:8:10.11.12,18:15:8:10.11.12,14:13:10:15.16.17,14:15:10:8.12.13,(-1.37,-7.72,;-2.51,-7.26,;-2.73,-5.74,;-4.16,-5.17,;-4.38,-3.64,;-3.17,-2.69,;-2.03,-3.15,;-3.39,-1.16,;-2.19,-.22,;-1.2,1.02,;-1.2,2.69,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;1.56,1.02,;1.56,2.59,;.34,.44,;3.07,1.16,;3.58,2.29,;3.79,.16,;-5.37,-6.12,;-5.52,-4.9,;-6.32,-6.91,;-5.15,-7.65,;-3.72,-8.22,;-6.36,-8.6,;-7.79,-8.03,;-7.97,-6.81,;-9,-8.99,;-8.78,-10.51,;-7.34,-11.08,;-6.14,-10.12,;-4.99,-10.58,;-9.98,-11.47,;-11.13,-11.01,;-9.8,-12.69,;-10.95,-12.23,)| Show InChI InChI=1S/C24H29Cl2F3N4O4S/c1-12-9-32(38(36,37)33(10-12)21-17(25)4-16(5-18(21)26)24(27,28)29)11-19(34)31-20-14-2-13-3-15(20)8-23(6-13,7-14)22(30)35/h4-5,12-15,20H,2-3,6-11H2,1H3,(H2,30,35)(H,31,34) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in CHOK1 cells using XL665-labeled cortisol as substrate measured after 24 hrs by HTRF assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126787
BindingDB Entry DOI: 10.7270/Q2TX3JWS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50537919
(CHEMBL4633146)Show SMILES CC1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(Br)cc1Cl |TLB:12:13:17:10.11.16,12:11:8.13.14:17,7:8:10.12.11:14.15.17,7:8:17:10.11.16,THB:16:11:8:14.15.17,16:15:8:10.12.11,(11.03,-25.79,;11.01,-27.33,;12.33,-28.11,;12.31,-29.65,;13.64,-30.43,;14.98,-29.67,;14.99,-28.13,;16.3,-30.45,;17.64,-29.69,;19.4,-29.74,;19.92,-31.07,;21.11,-31.89,;19.47,-31.98,;18.96,-30.55,;20.14,-29.48,;21.77,-29.44,;22.26,-30.88,;20.51,-28.74,;23.09,-28.66,;24.43,-29.42,;23.08,-27.12,;10.98,-30.41,;11.74,-31.74,;10.2,-31.73,;9.65,-29.62,;9.67,-28.08,;8.31,-30.38,;8.3,-31.91,;9.63,-32.69,;6.96,-32.67,;5.63,-31.88,;4.29,-32.64,;5.65,-30.34,;6.99,-29.59,;7.01,-28.05,)| Show InChI InChI=1S/C23H29BrCl2N4O4S/c1-12-9-29(35(33,34)30(10-12)21-17(25)4-16(24)5-18(21)26)11-19(31)28-20-14-2-13-3-15(20)8-23(6-13,7-14)22(27)32/h4-5,12-15,20H,2-3,6-11H2,1H3,(H2,27,32)(H,28,31) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in CHOK1 cells using XL665-labeled cortisol as substrate measured after 24 hrs by HTRF assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126787
BindingDB Entry DOI: 10.7270/Q2TX3JWS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50384519
(CHEMBL2036239)Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CCCCN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2 |r,wU:9.10,wD:3.2,TLB:1:3:33:6.7.9,10:9:4.3.34:33,8:3:33:6.7.9,THB:8:7:4.3.34:33,9:7:4:34.32.33,9:32:4:6.8.7,(18.68,-16.84,;18.05,-15.43,;18.96,-14.19,;16.52,-15.27,;16.53,-16.75,;15.65,-15.33,;16.43,-14.23,;16.46,-12.86,;17.39,-14.11,;15.05,-12.47,;15.07,-10.93,;13.86,-9.97,;14.1,-8.44,;12.43,-10.53,;11.22,-9.56,;11.57,-8.05,;10.61,-6.85,;9.07,-6.84,;8.11,-8.04,;8.45,-9.55,;7.24,-10.51,;5.81,-9.93,;5.59,-8.41,;4.6,-10.89,;4.82,-12.42,;3.61,-13.37,;6.26,-12.98,;7.47,-12.03,;8.9,-12.59,;9.82,-10.22,;10.59,-11.55,;9.05,-11.55,;14.17,-13.62,;14.28,-14.97,;15.05,-14.88,)| Show InChI InChI=1S/C23H29Cl3N4O4S/c24-16-7-17(25)21(18(26)8-16)30-4-2-1-3-29(35(30,33)34)12-19(31)28-20-14-5-13-6-15(20)11-23(9-13,10-14)22(27)32/h7-8,13-15,20H,1-6,9-12H2,(H2,27,32)(H,28,31)/t13?,14?,15?,20-,23- | 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 |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay |
ACS Med Chem Lett 3: 88-93 (2012)
Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50537922
(CHEMBL4645319)Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCN(c4c(Cl)cc(cc4Cl)C(F)(F)F)S1(=O)=O)C(C3)C2 |TLB:35:34:8:6.5.4,10:9:6.35.5:36.3.8,10:9:8:6.5.4,THB:35:5:9.34.36:8,4:5:9:36.3.8,4:3:9:6.35.5,(25.97,-44.51,;24.63,-43.75,;24.62,-42.21,;23.31,-44.52,;23.8,-45.96,;22.65,-46.97,;21.46,-46.15,;20.94,-44.82,;22.05,-43.83,;19.18,-44.78,;17.84,-45.53,;16.52,-44.75,;16.53,-43.21,;15.18,-45.51,;13.85,-44.73,;13.87,-43.19,;12.55,-42.41,;11.21,-43.16,;11.19,-44.7,;9.85,-45.46,;9.84,-46.99,;11.17,-47.77,;8.5,-47.75,;7.17,-46.96,;7.19,-45.42,;8.53,-44.67,;8.55,-43.13,;5.83,-47.72,;4.5,-46.94,;5.81,-49.26,;4.49,-48.48,;12.52,-45.49,;13.28,-46.82,;11.74,-46.81,;20.5,-45.63,;21.01,-47.06,;21.68,-44.56,)| Show InChI InChI=1S/C23H27Cl2F3N4O4S/c24-16-6-15(23(26,27)28)7-17(25)20(16)32-3-1-2-31(37(32,35)36)11-18(33)30-19-13-4-12-5-14(19)10-22(8-12,9-13)21(29)34/h6-7,12-14,19H,1-5,8-11H2,(H2,29,34)(H,30,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| PC cid
PC sid
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| Article
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in CHOK1 cells using XL665-labeled cortisol as substrate measured after 24 hrs by HTRF assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126787
BindingDB Entry DOI: 10.7270/Q2TX3JWS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50537918
(CHEMBL3951168)Show SMILES CC1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(cc1Cl)C(F)(F)F |TLB:18:15:10:8.12.13,7:8:10:15.16.17,THB:16:11:8:14.15.17,16:15:8:10.11.12,18:15:8:10.11.12,14:13:10:15.16.17,14:15:10:8.12.13,(-1.37,-7.72,;-2.51,-7.26,;-2.73,-5.74,;-4.16,-5.17,;-4.38,-3.64,;-3.17,-2.69,;-2.03,-3.15,;-3.39,-1.16,;-2.19,-.22,;-1.2,1.02,;-1.2,2.69,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;1.56,1.02,;1.56,2.59,;.34,.44,;3.07,1.16,;3.58,2.29,;3.79,.16,;-5.37,-6.12,;-5.52,-4.9,;-6.32,-6.91,;-5.15,-7.65,;-3.72,-8.22,;-6.36,-8.6,;-7.79,-8.03,;-7.97,-6.81,;-9,-8.99,;-8.78,-10.51,;-7.34,-11.08,;-6.14,-10.12,;-4.99,-10.58,;-9.98,-11.47,;-11.13,-11.01,;-9.8,-12.69,;-10.95,-12.23,)| Show InChI InChI=1S/C24H29Cl2F3N4O4S/c1-12-9-32(38(36,37)33(10-12)21-17(25)4-16(5-18(21)26)24(27,28)29)11-19(34)31-20-14-2-13-3-15(20)8-23(6-13,7-14)22(30)35/h4-5,12-15,20H,2-3,6-11H2,1H3,(H2,30,35)(H,31,34) | PDB
MMDB
Reactome pathway
KEGG
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DrugBank
GoogleScholar
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| PC cid
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| Article
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHOK1 cells using XL665-labeled cortisol as substrate measured after 24 hrs by HTRF assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126787
BindingDB Entry DOI: 10.7270/Q2TX3JWS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50537919
(CHEMBL4633146)Show SMILES CC1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(Br)cc1Cl |TLB:12:13:17:10.11.16,12:11:8.13.14:17,7:8:10.12.11:14.15.17,7:8:17:10.11.16,THB:16:11:8:14.15.17,16:15:8:10.12.11,(11.03,-25.79,;11.01,-27.33,;12.33,-28.11,;12.31,-29.65,;13.64,-30.43,;14.98,-29.67,;14.99,-28.13,;16.3,-30.45,;17.64,-29.69,;19.4,-29.74,;19.92,-31.07,;21.11,-31.89,;19.47,-31.98,;18.96,-30.55,;20.14,-29.48,;21.77,-29.44,;22.26,-30.88,;20.51,-28.74,;23.09,-28.66,;24.43,-29.42,;23.08,-27.12,;10.98,-30.41,;11.74,-31.74,;10.2,-31.73,;9.65,-29.62,;9.67,-28.08,;8.31,-30.38,;8.3,-31.91,;9.63,-32.69,;6.96,-32.67,;5.63,-31.88,;4.29,-32.64,;5.65,-30.34,;6.99,-29.59,;7.01,-28.05,)| Show InChI InChI=1S/C23H29BrCl2N4O4S/c1-12-9-29(35(33,34)30(10-12)21-17(25)4-16(24)5-18(21)26)11-19(31)28-20-14-2-13-3-15(20)8-23(6-13,7-14)22(27)32/h4-5,12-15,20H,2-3,6-11H2,1H3,(H2,27,32)(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
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| Article
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHOK1 cells using XL665-labeled cortisol as substrate measured after 24 hrs by HTRF assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126787
BindingDB Entry DOI: 10.7270/Q2TX3JWS |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50337789
((S)-2-(4-(((S)-3-((R)-3-amino-4-(2,4,5-trifluoroph...)Show SMILES CC(C)[C@H](Nc1ccc(CNC(=O)[C@@H]2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r| Show InChI InChI=1S/C26H31F3N4O4S/c1-14(2)23(26(36)37)32-18-5-3-15(4-6-18)13-31-24(35)25-33(7-8-38-25)22(34)11-17(30)9-16-10-20(28)21(29)12-19(16)27/h3-6,10,12,14,17,23,25,32H,7-9,11,13,30H2,1-2H3,(H,31,35)(H,36,37)/t17-,23+,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader |
Bioorg Med Chem Lett 21: 1366-70 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM167451
(US9073906, 196)Show SMILES C[C@@H]1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(cc1Cl)C(F)(F)F |r,wD:1.0,TLB:18:15:10:13.12.8,7:8:10:15.16.17,7:8:15.14.17:10.11.12,THB:18:15:10.11.12:8,16:15:10.11.12:8,16:11:15.14.17:8,14:15:10:13.12.8,14:13:10:15.16.17,(-2,3.49,;-2,1.95,;-.67,1.18,;-.67,-.36,;.67,-1.13,;2,-.36,;2,1.18,;3.33,-1.13,;4.67,-.36,;5.12,1.07,;4.35,2.4,;5.12,3.73,;5.25,1.73,;6.04,.43,;7.42,.77,;7.43,2.4,;6.66,3.73,;6.66,1.07,;8.51,3.49,;10,3.09,;8.12,4.98,;-2,-1.13,;-2.77,-2.46,;-1.23,-2.46,;-3.33,-.36,;-3.33,1.18,;-4.67,-1.13,;-6,-.36,;-6,1.18,;-7.34,-1.13,;-7.34,-2.67,;-6,-3.44,;-4.67,-2.67,;-3.33,-3.44,;-8.67,-3.44,;-10,-2.67,;-8.67,-4.98,;-10,-4.21,)| Show InChI InChI=1S/C24H29Cl2F3N4O4S/c1-12-9-32(38(36,37)33(10-12)21-17(25)4-16(5-18(21)26)24(27,28)29)11-19(34)31-20-14-2-13-3-15(20)8-23(6-13,7-14)22(30)35/h4-5,12-15,20H,2-3,6-11H2,1H3,(H2,30,35)(H,31,34)/t12-,13?,14?,15?,20?,23?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM15579
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1 | PDB
UniProtKB/SwissProt
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| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MAO-B expressed in insect cells by Amplex Red assay |
Bioorg Med Chem 21: 7890-7 (2013)
Article DOI: 10.1016/j.bmc.2013.10.004
BindingDB Entry DOI: 10.7270/Q29W0JDC |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50537921
(CHEMBL4649416)Show SMILES CC1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1ccc(cn1)C(F)(F)F |TLB:12:13:17:10.11.16,12:11:8.13.14:17,7:8:10.12.11:14.15.17,7:8:17:10.11.16,THB:16:11:8:14.15.17,16:15:8:10.12.11,(62.19,-24.8,;62.17,-26.34,;63.49,-27.12,;63.47,-28.66,;64.79,-29.44,;66.13,-28.68,;66.15,-27.14,;67.46,-29.46,;68.8,-28.71,;70.56,-28.75,;71.07,-30.08,;72.26,-30.9,;70.63,-30.99,;70.12,-29.56,;71.3,-28.49,;72.93,-28.45,;73.42,-29.89,;71.67,-27.76,;74.25,-27.68,;75.59,-28.44,;74.24,-26.14,;62.13,-29.42,;62.9,-30.75,;61.36,-30.74,;60.81,-28.63,;60.82,-27.09,;59.47,-29.39,;59.46,-30.92,;58.12,-31.68,;56.79,-30.89,;56.8,-29.35,;58.15,-28.6,;55.44,-31.65,;54.12,-30.87,;55.43,-33.19,;54.11,-32.41,)| Show InChI InChI=1S/C23H30F3N5O4S/c1-13-10-30(36(34,35)31(11-13)18-3-2-17(9-28-18)23(24,25)26)12-19(32)29-20-15-4-14-5-16(20)8-22(6-14,7-15)21(27)33/h2-3,9,13-16,20H,4-8,10-12H2,1H3,(H2,27,33)(H,29,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in CHOK1 cells using XL665-labeled cortisol as substrate measured after 24 hrs by HTRF assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126787
BindingDB Entry DOI: 10.7270/Q2TX3JWS |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50540333
(CHEMBL4638548)Show SMILES CN1CCC(CC1)N(Cc1ccc(F)cc1)C(=O)NCc1ccc(OCC(O)CN2CCN(CC2)C(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C33H48FN5O5/c1-33(2,3)44-32(42)38-19-17-37(18-20-38)23-29(40)24-43-30-11-7-25(8-12-30)21-35-31(41)39(28-13-15-36(4)16-14-28)22-26-5-9-27(34)10-6-26/h5-12,28-29,40H,13-24H2,1-4H3,(H,35,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| 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 |
Gwangju Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Antagonist activity at 5HT2A receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of serotonin hydrochloride-induced calcium fl... |
J Med Chem 63: 4171-4182 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00002
BindingDB Entry DOI: 10.7270/Q2CZ3BPX |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50117151
(CHEMBL3613351)Show SMILES Cc1ccccc1-c1ccc(cc1)C(=O)NCCNC(=O)c1ccc(O[C@H]2C3CC4CC2C[C@](C4)(C3)C(O)=O)cc1 |r,wU:26.27,wD:33.40,TLB:26:27:34:30.31.32,25:26:34.29.30:32,THB:28:29:32:35.27.26,28:27:34.29.30:32,26:31:34:35.28.27,(-17.57,11.45,;-18.54,10.69,;-19.97,11.26,;-21.18,10.31,;-20.96,8.79,;-19.53,8.21,;-18.32,9.17,;-16.89,8.59,;-15.68,9.54,;-14.25,8.97,;-14.03,7.44,;-15.25,6.49,;-16.67,7.07,;-12.61,6.87,;-11.63,7.62,;-12.39,5.34,;-10.96,4.76,;-10.75,3.24,;-9.32,2.66,;-9.1,1.13,;-10.07,.37,;-7.68,.56,;-7.46,-.97,;-6.03,-1.54,;-4.82,-.59,;-3.39,-1.17,;-2.19,-.22,;-1.2,1.02,;-1.2,2.69,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;1.56,1.02,;1.56,2.59,;.34,.44,;3.07,1.15,;3.59,2.27,;3.78,.15,;-5.03,.93,;-6.46,1.51,)| Show InChI InChI=1S/C34H36N2O5/c1-21-4-2-3-5-29(21)23-6-8-24(9-7-23)31(37)35-14-15-36-32(38)25-10-12-28(13-11-25)41-30-26-16-22-17-27(30)20-34(18-22,19-26)33(39)40/h2-13,22,26-27,30H,14-20H2,1H3,(H,35,37)(H,36,38)(H,39,40)/t22?,26?,27?,30-,34- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 incubated for 60 mins using didecanoyl glycerol and [14C]decanoyl-CoA substrate by liquid scintillation counting and lumino... |
Eur J Med Chem 101: 716-35 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.043
BindingDB Entry DOI: 10.7270/Q2B859WR |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50334712
((R,E)-3-(2-Fluoro-benzenesulfonyl)-thiazolidine-2-...)Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)[C@H]1SCCN1S(=O)(=O)c1ccccc1F)C(C3)C2 |r,wU:13.13,TLB:10:9:30.8.3:6.5.29,10:9:29:30.3.4,8:3:9.7.6:29,THB:8:7:29:30.3.4,4:3:9:6.5.29,4:5:9:30.8.3,1:3:9:6.5.29,1:3:9.7.6:29,(17.46,-12.91,;16.64,-11.61,;17.36,-10.24,;15.1,-11.67,;15.11,-10.14,;13.72,-9.56,;12.68,-10.79,;12.68,-12.38,;14.09,-12.94,;11.18,-12.8,;9.85,-12.03,;8.51,-12.8,;7.18,-12.03,;8.52,-14.34,;9.77,-15.25,;9.29,-16.71,;7.75,-16.71,;7.27,-15.25,;5.93,-14.5,;5.15,-13.16,;6.69,-13.16,;4.61,-15.29,;4.64,-16.82,;3.32,-17.62,;1.97,-16.87,;1.94,-15.33,;3.26,-14.54,;3.25,-13,;12.38,-11.52,;12.37,-10.04,;13.71,-12.01,)| Show InChI InChI=1S/C21H26FN3O4S2/c22-15-3-1-2-4-16(15)31(28,29)25-5-6-30-19(25)18(26)24-17-13-7-12-8-14(17)11-21(9-12,10-13)20(23)27/h1-4,12-14,17,19H,5-11H2,(H2,23,27)(H,24,26)/t12?,13?,14?,17?,19-,21?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay |
Bioorg Med Chem Lett 21: 435-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM167444
(US9073906, 156)Show SMILES CC1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(Cl)cc1Cl |TLB:7:8:10:15.16.17,7:8:15.14.17:10.11.12,18:15:10:8.13.12,THB:16:15:8:10.11.12,16:11:8:15.14.17,14:15:10:8.13.12,14:13:10:15.16.17,18:15:8:10.11.12,(-2.33,2.4,;-2.33,.86,;-.99,.09,;-.99,-1.45,;.34,-2.22,;1.68,-1.45,;1.68,.09,;3.01,-2.22,;4.34,-1.45,;4.11,.62,;3.34,1.95,;4.11,3.28,;4.04,1.9,;5.23,-.19,;6.61,-.17,;6.42,1.95,;5.65,3.28,;5.65,.62,;7.51,3.04,;8.99,2.64,;7.11,4.53,;-2.33,-2.22,;-3.1,-3.55,;-1.56,-3.55,;-3.66,-1.45,;-3.66,.09,;-4.99,-2.22,;-6.33,-1.45,;-6.33,.09,;-7.66,-2.22,;-7.66,-3.76,;-8.99,-4.53,;-6.33,-4.53,;-4.99,-3.76,;-3.66,-4.53,)| Show InChI InChI=1S/C23H29Cl3N4O4S/c1-12-9-29(35(33,34)30(10-12)21-17(25)4-16(24)5-18(21)26)11-19(31)28-20-14-2-13-3-15(20)8-23(6-13,7-14)22(27)32/h4-5,12-15,20H,2-3,6-11H2,1H3,(H2,27,32)(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHOK1 cells using XL665-labeled cortisol as substrate measured after 24 hrs by HTRF assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126787
BindingDB Entry DOI: 10.7270/Q2TX3JWS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50384522
(CHEMBL2036234)Show SMILES CC1CN(CC(=O)N[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(Cl)cc1Cl |r,wU:8.7,wD:15.20,TLB:17:15:12:10.9.8,7:8:16.15.14:12,18:15:12:10.9.8,8:9:16:14.13.12,THB:17:9:16.15.14:12,8:13:16:10.17.9,(10.39,-6.25,;10.39,-7.79,;11.73,-8.57,;11.73,-10.12,;13.06,-10.89,;14.39,-10.13,;14.4,-8.59,;15.73,-10.9,;15.72,-12.44,;17.09,-13.12,;16.8,-14.53,;15.79,-15.51,;14.44,-14.87,;14.59,-13.45,;15.26,-14.93,;16.69,-15.6,;16.42,-17.14,;17.81,-14.58,;18.17,-16.01,;18.57,-17.5,;19.27,-14.93,;10.38,-10.88,;11.15,-12.22,;9.6,-12.21,;9.05,-10.12,;9.05,-8.57,;7.72,-10.89,;6.39,-10.12,;6.39,-8.58,;5.05,-10.9,;5.06,-12.44,;3.73,-13.22,;6.4,-13.2,;7.72,-12.43,;9.05,-13.2,)| Show InChI InChI=1S/C23H29Cl3N4O4S/c1-12-9-29(35(33,34)30(10-12)21-17(25)4-16(24)5-18(21)26)11-19(31)28-20-14-2-13-3-15(20)8-23(6-13,7-14)22(27)32/h4-5,12-15,20H,2-3,6-11H2,1H3,(H2,27,32)(H,28,31)/t12?,13?,14?,15?,20-,23- | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay |
ACS Med Chem Lett 3: 88-93 (2012)
Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50334712
((R,E)-3-(2-Fluoro-benzenesulfonyl)-thiazolidine-2-...)Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)[C@H]1SCCN1S(=O)(=O)c1ccccc1F)C(C3)C2 |r,wU:13.13,TLB:10:9:30.8.3:6.5.29,10:9:29:30.3.4,8:3:9.7.6:29,THB:8:7:29:30.3.4,4:3:9:6.5.29,4:5:9:30.8.3,1:3:9:6.5.29,1:3:9.7.6:29,(17.46,-12.91,;16.64,-11.61,;17.36,-10.24,;15.1,-11.67,;15.11,-10.14,;13.72,-9.56,;12.68,-10.79,;12.68,-12.38,;14.09,-12.94,;11.18,-12.8,;9.85,-12.03,;8.51,-12.8,;7.18,-12.03,;8.52,-14.34,;9.77,-15.25,;9.29,-16.71,;7.75,-16.71,;7.27,-15.25,;5.93,-14.5,;5.15,-13.16,;6.69,-13.16,;4.61,-15.29,;4.64,-16.82,;3.32,-17.62,;1.97,-16.87,;1.94,-15.33,;3.26,-14.54,;3.25,-13,;12.38,-11.52,;12.37,-10.04,;13.71,-12.01,)| Show InChI InChI=1S/C21H26FN3O4S2/c22-15-3-1-2-4-16(15)31(28,29)25-5-6-30-19(25)18(26)24-17-13-7-12-8-14(17)11-21(9-12,10-13)20(23)27/h1-4,12-14,17,19H,5-11H2,(H2,23,27)(H,24,26)/t12?,13?,14?,17?,19-,21?/m1/s1 | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay |
Bioorg Med Chem Lett 21: 435-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50384520
(CHEMBL2036232)Show SMILES CN(CC(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O)S(=O)(=O)N(C)c1c(Cl)cc(Cl)cc1Cl |r,wU:6.5,wD:13.18,TLB:5:6:14.13.12:10,16:13:10:8.7.6,15:13:10:8.7.6,6:7:14:12.11.10,THB:15:7:14.13.12:10,6:11:14:8.15.7,(12.01,-12.22,;12.01,-13.77,;13.34,-14.54,;14.67,-13.78,;14.68,-12.24,;16.01,-14.55,;16,-16.09,;17.37,-16.76,;17.08,-18.18,;16.06,-19.16,;14.72,-18.52,;14.87,-17.1,;15.54,-18.58,;16.97,-19.25,;16.7,-20.79,;18.09,-18.23,;18.45,-19.66,;18.85,-21.15,;19.55,-18.57,;10.66,-14.53,;11.43,-15.87,;9.88,-15.86,;9.33,-13.77,;9.33,-12.22,;8,-14.54,;6.67,-13.77,;6.67,-12.23,;5.33,-14.54,;5.34,-16.09,;4.01,-16.87,;6.68,-16.85,;8,-16.08,;9.33,-16.84,)| Show InChI InChI=1S/C21H27Cl3N4O4S/c1-27(33(31,32)28(2)19-15(23)5-14(22)6-16(19)24)10-17(29)26-18-12-3-11-4-13(18)9-21(7-11,8-12)20(25)30/h5-6,11-13,18H,3-4,7-10H2,1-2H3,(H2,25,30)(H,26,29)/t11?,12?,13?,18-,21- | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay |
ACS Med Chem Lett 3: 88-93 (2012)
Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM167437
(US9073906, 69)Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)CN1CCCN(c4cccc(F)c4)S1(=O)=O)C(C3)C2 |TLB:10:9:6:3.4.8,10:9:3.31.8:6.5.30,1:3:9:6.5.30,THB:31:3:6:9.29.30,31:29:6:3.4.8,4:3:9:6.5.30,4:5:9:3.31.8,(9.04,3.66,;8.27,2.32,;9.04,.99,;6.73,2.32,;6.11,3.73,;4.59,3.9,;3.68,2.66,;4.29,1.25,;5.83,1.08,;4.29,-.82,;2.96,-1.59,;1.63,-.82,;1.63,.72,;.29,-1.59,;-1.04,-.82,;-1.04,.72,;-2.37,1.49,;-3.71,.72,;-3.71,-.82,;-5.04,-1.59,;-5.04,-3.13,;-6.37,-3.9,;-7.71,-3.13,;-7.71,-1.59,;-9.04,-.82,;-6.37,-.82,;-2.37,-1.59,;-1.6,-2.93,;-3.14,-2.93,;5.31,.33,;4.37,2.53,;6.68,.2,)| Show InChI InChI=1S/C22H29FN4O4S/c23-17-3-1-4-18(9-17)27-6-2-5-26(32(27,30)31)13-19(28)25-20-15-7-14-8-16(20)12-22(10-14,11-15)21(24)29/h1,3-4,9,14-16,20H,2,5-8,10-13H2,(H2,24,29)(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50334708
((E)-3-[(2-Fluorophenyl)sulfonyl]-N-[5-(aminocarbon...)Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1ccccc1F)C(C3)C2 |TLB:10:9:30.8.3:6.5.29,10:9:29:30.3.4,8:3:9.7.6:29,THB:8:7:29:30.3.4,4:3:9:6.5.29,4:5:9:30.8.3,1:3:9:6.5.29,1:3:9.7.6:29,(12.45,-21.42,;11.63,-20.11,;12.35,-18.75,;10.09,-20.17,;10.1,-18.65,;8.71,-18.07,;7.67,-19.3,;7.67,-20.89,;9.08,-21.45,;6.17,-21.31,;4.84,-20.54,;3.51,-21.31,;2.17,-20.54,;3.51,-22.85,;4.76,-23.76,;4.28,-25.22,;2.74,-25.22,;2.27,-23.76,;.92,-23.01,;.14,-21.67,;1.68,-21.67,;-.4,-23.8,;-.37,-25.33,;-1.69,-26.13,;-3.04,-25.38,;-3.06,-23.83,;-1.74,-23.05,;-1.76,-21.51,;7.37,-20.03,;7.36,-18.55,;8.7,-20.52,)| Show InChI InChI=1S/C21H26FN3O4S2/c22-15-3-1-2-4-16(15)31(28,29)25-5-6-30-19(25)18(26)24-17-13-7-12-8-14(17)11-21(9-12,10-13)20(23)27/h1-4,12-14,17,19H,5-11H2,(H2,23,27)(H,24,26) | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay |
Bioorg Med Chem Lett 21: 435-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50337785
(2-(4-((3-((R)-3-amino-4-(2,4,5-trifluorophenyl)but...)Show SMILES CC(C)C(Nc1ccc(CNC(=O)C2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r| Show InChI InChI=1S/C26H31F3N4O4S/c1-14(2)23(26(36)37)32-18-5-3-15(4-6-18)13-31-24(35)25-33(7-8-38-25)22(34)11-17(30)9-16-10-20(28)21(29)12-19(16)27/h3-6,10,12,14,17,23,25,32H,7-9,11,13,30H2,1-2H3,(H,31,35)(H,36,37)/t17-,23?,25?/m1/s1 | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader |
Bioorg Med Chem Lett 21: 1366-70 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50334708
((E)-3-[(2-Fluorophenyl)sulfonyl]-N-[5-(aminocarbon...)Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1ccccc1F)C(C3)C2 |TLB:10:9:30.8.3:6.5.29,10:9:29:30.3.4,8:3:9.7.6:29,THB:8:7:29:30.3.4,4:3:9:6.5.29,4:5:9:30.8.3,1:3:9:6.5.29,1:3:9.7.6:29,(12.45,-21.42,;11.63,-20.11,;12.35,-18.75,;10.09,-20.17,;10.1,-18.65,;8.71,-18.07,;7.67,-19.3,;7.67,-20.89,;9.08,-21.45,;6.17,-21.31,;4.84,-20.54,;3.51,-21.31,;2.17,-20.54,;3.51,-22.85,;4.76,-23.76,;4.28,-25.22,;2.74,-25.22,;2.27,-23.76,;.92,-23.01,;.14,-21.67,;1.68,-21.67,;-.4,-23.8,;-.37,-25.33,;-1.69,-26.13,;-3.04,-25.38,;-3.06,-23.83,;-1.74,-23.05,;-1.76,-21.51,;7.37,-20.03,;7.36,-18.55,;8.7,-20.52,)| Show InChI InChI=1S/C21H26FN3O4S2/c22-15-3-1-2-4-16(15)31(28,29)25-5-6-30-19(25)18(26)24-17-13-7-12-8-14(17)11-21(9-12,10-13)20(23)27/h1-4,12-14,17,19H,5-11H2,(H2,23,27)(H,24,26) | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay |
Bioorg Med Chem Lett 21: 435-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K |
More data for this
Ligand-Target Pair | |
Aryl hydrocarbon receptor
(Danio rerio) | BDBM50525571
(CHEMBL4467659)Show InChI InChI=1S/C20H22O4/c1-4-23-20-8-6-5-7-17(20)19(22)13-18(21)15-9-11-16(12-10-15)24-14(2)3/h5-12,14H,4,13H2,1-3H3 | MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Antagonist activity at zebrafish AhR2 expressed in COS7 cells transfected with ARNT-1c, Cyp1a-firefly luciferase and pRL-TK Renilla luciferase plasmi... |
Bioorg Med Chem 27: (2019)
Article DOI: 10.1016/j.bmc.2019.07.030
BindingDB Entry DOI: 10.7270/Q25B05WB |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50537917
(CHEMBL4648389)Show SMILES CC1CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(C)cc1Cl |TLB:12:13:17:10.11.16,12:11:8.13.14:17,7:8:10.12.11:14.15.17,7:8:17:10.11.16,THB:16:11:8:14.15.17,16:15:8:10.12.11,(36.44,-11.66,;36.42,-13.2,;37.73,-13.98,;37.71,-15.52,;39.04,-16.3,;40.38,-15.54,;40.39,-14,;41.71,-16.33,;43.05,-15.57,;44.8,-15.61,;45.32,-16.94,;46.51,-17.76,;44.88,-17.85,;44.36,-16.42,;45.55,-15.36,;47.17,-15.32,;47.67,-16.75,;45.91,-14.62,;48.5,-14.54,;49.84,-15.3,;48.49,-13,;36.38,-16.28,;37.14,-17.61,;35.61,-17.61,;35.05,-15.49,;35.07,-13.95,;33.72,-16.25,;33.7,-17.78,;35.03,-18.57,;32.37,-18.54,;31.03,-17.76,;29.69,-18.51,;31.05,-16.22,;32.39,-15.46,;32.41,-13.92,)| Show InChI InChI=1S/C24H32Cl2N4O4S/c1-13-3-18(25)22(19(26)4-13)30-11-14(2)10-29(35(30,33)34)12-20(31)28-21-16-5-15-6-17(21)9-24(7-15,8-16)23(27)32/h3-4,14-17,21H,5-12H2,1-2H3,(H2,27,32)(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHOK1 cells using XL665-labeled cortisol as substrate measured after 24 hrs by HTRF assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2019.126787
BindingDB Entry DOI: 10.7270/Q2TX3JWS |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50334709
(3-(3-Fluoro-benzenesulfonyl)-thiazolidine-2-carbox...)Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1cccc(F)c1)C(C3)C2 |TLB:10:9:30.8.3:6.5.29,10:9:29:30.3.4,8:3:9.7.6:29,THB:8:7:29:30.3.4,4:3:9:6.5.29,4:5:9:30.8.3,1:3:9:6.5.29,1:3:9.7.6:29,(54.1,-20.21,;53.28,-18.91,;54,-17.55,;51.74,-18.97,;51.75,-17.44,;50.36,-16.86,;49.32,-18.1,;49.32,-19.68,;50.73,-20.25,;47.82,-20.1,;46.49,-19.33,;45.16,-20.11,;43.82,-19.34,;45.16,-21.65,;46.41,-22.55,;45.93,-24.02,;44.39,-24.02,;43.92,-22.55,;42.57,-21.81,;41.79,-20.46,;43.33,-20.46,;41.25,-22.6,;41.28,-24.13,;39.96,-24.92,;38.61,-24.17,;38.59,-22.63,;37.24,-21.88,;39.91,-21.84,;49.02,-18.83,;49.01,-17.34,;50.35,-19.32,)| Show InChI InChI=1S/C21H26FN3O4S2/c22-15-2-1-3-16(8-15)31(28,29)25-4-5-30-19(25)18(26)24-17-13-6-12-7-14(17)11-21(9-12,10-13)20(23)27/h1-3,8,12-14,17,19H,4-7,9-11H2,(H2,23,27)(H,24,26) | 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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay |
Bioorg Med Chem Lett 21: 435-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Mus musculus (mouse)) | BDBM50384518
(CHEMBL2036240)Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)CN1CCCN(c4c(Cl)cc(Cl)cc4Cl)S1(=O)=O)C(C3)C2 |r,wU:9.10,wD:3.2,TLB:8:3:32:6.7.9,10:9:4.3.33:32,1:3:32:6.7.9,THB:8:7:4.3.33:32,9:7:4:33.31.32,9:31:4:6.8.7,(18.57,-16.7,;18.17,-15.21,;19.27,-14.12,;16.69,-14.8,;16.42,-16.34,;15.79,-14.71,;16.8,-13.73,;17.09,-12.31,;17.81,-13.78,;15.72,-11.64,;15.73,-10.1,;14.39,-9.33,;14.4,-7.79,;13.06,-10.09,;11.73,-9.32,;11.73,-7.77,;10.39,-6.98,;9.05,-7.77,;9.05,-9.32,;7.72,-10.09,;6.39,-9.32,;6.39,-7.78,;5.05,-10.09,;5.06,-11.64,;3.73,-12.42,;6.4,-12.4,;7.72,-11.63,;9.05,-12.39,;10.38,-10.08,;11.15,-11.42,;9.6,-11.41,;14.59,-12.65,;14.44,-14.07,;15.26,-14.13,)| Show InChI InChI=1S/C22H27Cl3N4O4S/c23-15-6-16(24)20(17(25)7-15)29-3-1-2-28(34(29,32)33)11-18(30)27-19-13-4-12-5-14(19)10-22(8-12,9-13)21(26)31/h6-7,12-14,19H,1-5,8-11H2,(H2,26,31)(H,27,30)/t12?,13?,14?,19-,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
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UniChem
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PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells using cortisone as substrate after 3 hrs by HTRF assay |
ACS Med Chem Lett 3: 88-93 (2012)
Article DOI: 10.1021/ml200226x
BindingDB Entry DOI: 10.7270/Q2TH8NR0 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM167449
(US9073906, 183)Show SMILES CC1CN(CC(=O)NC2C3CC4CC2C[C@@](C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(cc1Cl)C(F)(F)F |r,wD:15.20,TLB:7:8:12:15.16.14,7:8:15.17.14:12.11.10,17:15:12:9.10.8,THB:18:15:12:9.10.8,18:15:12.11.10:8,16:15:12.11.10:8,16:11:15.17.14:8,17:9:12:15.16.14,(-2,3.49,;-2,1.95,;-.67,1.18,;-.67,-.36,;.67,-1.13,;2,-.36,;2,1.18,;3.33,-1.13,;4.67,-.36,;6.04,.43,;5.25,1.73,;5.12,3.73,;4.35,2.4,;5.12,1.07,;6.66,1.07,;7.43,2.4,;6.66,3.73,;7.42,.77,;8.51,3.49,;10,3.09,;8.12,4.98,;-2,-1.13,;-2.77,-2.46,;-1.23,-2.46,;-3.33,-.36,;-3.33,1.18,;-4.67,-1.13,;-6,-.36,;-6,1.18,;-7.34,-1.13,;-7.34,-2.67,;-6,-3.44,;-4.67,-2.67,;-3.33,-3.44,;-8.67,-3.44,;-10,-2.67,;-8.67,-4.98,;-10,-4.21,)| Show InChI InChI=1S/C24H29Cl2F3N4O4S/c1-12-9-32(38(36,37)33(10-12)21-17(25)4-16(5-18(21)26)24(27,28)29)11-19(34)31-20-14-2-13-3-15(20)8-23(6-13,7-14)22(30)35/h4-5,12-15,20H,2-3,6-11H2,1H3,(H2,30,35)(H,31,34)/t12?,13?,14?,15?,20?,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50117150
(CHEMBL3613355)Show SMILES Cc1cccc(C)c1-c1ccc(cc1)C(=O)NCCNC(=O)c1ccc(O[C@H]2C3CC4CC2C[C@](C4)(C3)C(O)=O)cc1 |r,wU:27.28,wD:34.41,TLB:27:28:35:31.32.33,26:27:35.30.31:33,THB:29:30:33:36.28.27,29:28:35.30.31:33,27:32:35:36.29.28,(-19.36,6.99,;-19.53,8.21,;-20.96,8.79,;-21.18,10.31,;-19.97,11.26,;-18.54,10.69,;-17.57,11.45,;-18.32,9.17,;-16.89,8.59,;-15.68,9.54,;-14.25,8.97,;-14.03,7.44,;-15.25,6.49,;-16.67,7.07,;-12.61,6.87,;-11.63,7.62,;-12.39,5.34,;-10.96,4.76,;-10.75,3.24,;-9.32,2.66,;-9.1,1.13,;-10.07,.37,;-7.68,.56,;-7.46,-.97,;-6.03,-1.54,;-4.82,-.59,;-3.39,-1.17,;-2.19,-.22,;-1.2,1.02,;-1.2,2.69,;.12,3.07,;-1,2.05,;-.95,.32,;.56,-.22,;1.56,1.02,;1.56,2.59,;.34,.44,;3.07,1.15,;3.59,2.27,;3.78,.15,;-5.03,.93,;-6.46,1.51,)| Show InChI InChI=1S/C35H38N2O5/c1-21-4-3-5-22(2)30(21)24-6-8-25(9-7-24)32(38)36-14-15-37-33(39)26-10-12-29(13-11-26)42-31-27-16-23-17-28(31)20-35(18-23,19-27)34(40)41/h3-13,23,27-28,31H,14-20H2,1-2H3,(H,36,38)(H,37,39)(H,40,41)/t23?,27?,28?,31-,35- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
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UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 incubated for 60 mins using didecanoyl glycerol and [14C]decanoyl-CoA substrate by liquid scintillation counting and lumino... |
Eur J Med Chem 101: 716-35 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.043
BindingDB Entry DOI: 10.7270/Q2B859WR |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50117149
(CHEMBL3613349)Show SMILES OC(=O)[C@@]12CC3CC(C1)[C@H](Oc1ccc(cc1)C(=O)NCCNC(=O)c1ccc(cc1)-c1ccccc1)C(C3)C2 |r,wU:9.10,wD:3.2,TLB:6:5:39:8.7.9,6:7:4.5.38:39,THB:9:7:4:38.37.39,9:37:4:8.6.7,10:9:4.5.38:39,(3.59,2.27,;3.07,1.15,;3.78,.15,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-6.03,-1.54,;-7.46,-.97,;-7.68,.56,;-6.46,1.51,;-5.03,.93,;-9.1,1.13,;-10.07,.37,;-9.32,2.66,;-10.75,3.24,;-10.96,4.76,;-12.39,5.34,;-12.61,6.87,;-11.63,7.62,;-14.03,7.44,;-14.25,8.97,;-15.68,9.54,;-16.89,8.59,;-16.67,7.07,;-15.25,6.49,;-18.32,9.17,;-18.54,10.69,;-19.97,11.26,;-21.18,10.31,;-20.96,8.79,;-19.53,8.21,;-.95,.32,;-1,2.05,;.56,-.22,)| Show InChI InChI=1S/C33H34N2O5/c36-30(24-8-6-23(7-9-24)22-4-2-1-3-5-22)34-14-15-35-31(37)25-10-12-28(13-11-25)40-29-26-16-21-17-27(29)20-33(18-21,19-26)32(38)39/h1-13,21,26-27,29H,14-20H2,(H,34,36)(H,35,37)(H,38,39)/t21?,26?,27?,29-,33- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 incubated for 60 mins using didecanoyl glycerol and [14C]decanoyl-CoA substrate by liquid scintillation counting and lumino... |
Eur J Med Chem 101: 716-35 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.043
BindingDB Entry DOI: 10.7270/Q2B859WR |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50117187
(CHEMBL3613341)Show SMILES OC(=O)C12CC3CC(C1)C(Oc1ccc(cc1)C(=O)NCCNC(=O)c1nc(oc1C(F)(F)F)-c1ccccc1)C(C3)C2 |TLB:6:5:42:8.7.9,6:7:4.5.41:42,THB:9:7:4:41.40.42,9:40:4:8.6.7,10:9:4.5.41:42,(3.79,.17,;3.07,1.17,;3.58,2.29,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;-2.19,-.22,;-3.39,-1.16,;-3.17,-2.69,;-4.38,-3.64,;-4.16,-5.17,;-2.73,-5.74,;-1.52,-4.78,;-1.74,-3.26,;-2.5,-7.26,;-3.47,-8.03,;-1.07,-7.83,;-.85,-9.36,;.59,-9.92,;.81,-11.45,;2.24,-12.02,;3.21,-11.25,;2.47,-13.54,;1.36,-14.59,;2.04,-15.98,;3.57,-15.75,;3.83,-14.24,;5.2,-13.55,;5.27,-12.32,;6.23,-14.22,;6.3,-12.99,;1.32,-17.34,;2.04,-18.7,;1.23,-20,;-.31,-19.94,;-1.03,-18.58,;-.22,-17.28,;-.95,.32,;-1,2.05,;.56,-.22,)| Show InChI InChI=1S/C31H30F3N3O6/c32-31(33,34)25-23(37-28(43-25)19-4-2-1-3-5-19)27(39)36-11-10-35-26(38)18-6-8-22(9-7-18)42-24-20-12-17-13-21(24)16-30(14-17,15-20)29(40)41/h1-9,17,20-21,24H,10-16H2,(H,35,38)(H,36,39)(H,40,41) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 incubated for 60 mins using didecanoyl glycerol and [14C]decanoyl-CoA substrate by liquid scintillation counting and lumino... |
Eur J Med Chem 101: 716-35 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.043
BindingDB Entry DOI: 10.7270/Q2B859WR |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50117149
(CHEMBL3613349)Show SMILES OC(=O)[C@@]12CC3CC(C1)[C@H](Oc1ccc(cc1)C(=O)NCCNC(=O)c1ccc(cc1)-c1ccccc1)C(C3)C2 |r,wU:9.10,wD:3.2,TLB:6:5:39:8.7.9,6:7:4.5.38:39,THB:9:7:4:38.37.39,9:37:4:8.6.7,10:9:4.5.38:39,(3.59,2.27,;3.07,1.15,;3.78,.15,;1.56,1.02,;1.56,2.59,;.12,3.07,;-1.2,2.69,;-1.2,1.02,;.34,.44,;-2.19,-.22,;-3.39,-1.17,;-4.82,-.59,;-6.03,-1.54,;-7.46,-.97,;-7.68,.56,;-6.46,1.51,;-5.03,.93,;-9.1,1.13,;-10.07,.37,;-9.32,2.66,;-10.75,3.24,;-10.96,4.76,;-12.39,5.34,;-12.61,6.87,;-11.63,7.62,;-14.03,7.44,;-14.25,8.97,;-15.68,9.54,;-16.89,8.59,;-16.67,7.07,;-15.25,6.49,;-18.32,9.17,;-18.54,10.69,;-19.97,11.26,;-21.18,10.31,;-20.96,8.79,;-19.53,8.21,;-.95,.32,;-1,2.05,;.56,-.22,)| Show InChI InChI=1S/C33H34N2O5/c36-30(24-8-6-23(7-9-24)22-4-2-1-3-5-22)34-14-15-35-31(37)25-10-12-28(13-11-25)40-29-26-16-21-17-27(29)20-33(18-21,19-26)32(38)39/h1-13,21,26-27,29H,14-20H2,(H,34,36)(H,35,37)(H,38,39)/t21?,26?,27?,29-,33- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 expressed in human Hep3B cells incubated for 60 mins using didecanoyl glycerol and [14C]decanoyl-CoA substrate by liquid sc... |
Eur J Med Chem 101: 716-35 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.043
BindingDB Entry DOI: 10.7270/Q2B859WR |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50334704
(3-(3,4-Dichloro-benzenesulfonyl)-thiazolidine-2-ca...)Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C3)C2 |TLB:10:9:31.8.3:6.5.30,10:9:30:31.3.4,8:3:9.7.6:30,THB:8:7:30:31.3.4,4:3:9:6.5.30,4:5:9:31.8.3,1:3:9:6.5.30,1:3:9.7.6:30,(18.16,-3.14,;17.33,-1.84,;18.05,-.47,;15.79,-1.9,;15.81,-.37,;14.41,.21,;13.37,-1.03,;13.38,-2.61,;14.78,-3.17,;11.87,-3.03,;10.54,-2.26,;9.21,-3.03,;7.87,-2.27,;9.21,-4.57,;10.46,-5.48,;9.98,-6.95,;8.44,-6.95,;7.97,-5.48,;6.62,-4.73,;5.84,-3.39,;7.38,-3.39,;5.3,-5.52,;5.33,-7.05,;4.01,-7.85,;2.66,-7.1,;1.34,-7.89,;2.64,-5.56,;1.29,-4.81,;3.96,-4.77,;13.07,-1.75,;13.06,-.27,;14.4,-2.24,)| Show InChI InChI=1S/C21H25Cl2N3O4S2/c22-15-2-1-14(7-16(15)23)32(29,30)26-3-4-31-19(26)18(27)25-17-12-5-11-6-13(17)10-21(8-11,9-12)20(24)28/h1-2,7,11-13,17,19H,3-6,8-10H2,(H2,24,28)(H,25,27) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University
Curated by ChEMBL
| Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay |
Bioorg Med Chem Lett 21: 435-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM167448
(US9073906, 177)Show SMILES CC1(C)CN(CC(=O)NC2C3CC4CC2CC(C4)(C3)C(N)=O)S(=O)(=O)N(C1)c1c(Cl)cc(Cl)cc1Cl |TLB:8:9:11:16.17.18,8:9:16.15.18:11.12.13,19:16:11:14.13.9,THB:19:16:11.12.13:9,17:16:11.12.13:9,17:12:16.15.18:9,15:16:11:14.13.9,15:14:11:16.17.18,(-1.9,2.52,;-2.67,1.18,;-3.44,2.52,;-1.33,.41,;-1.33,-1.13,;,-1.9,;1.33,-1.13,;1.33,.41,;2.67,-1.9,;4,-1.13,;4.45,.3,;3.68,1.63,;4.45,2.96,;4.58,.96,;5.37,-.34,;6.76,0,;6.76,1.63,;5.99,2.96,;5.99,.3,;7.85,2.72,;9.34,2.32,;7.45,4.21,;-2.67,-1.9,;-3.44,-3.23,;-1.9,-3.23,;-4,-1.13,;-4,.41,;-5.33,-1.9,;-6.67,-1.13,;-6.67,.41,;-8,-1.9,;-8,-3.44,;-9.34,-4.21,;-6.67,-4.21,;-5.33,-3.44,;-4,-4.21,)| Show InChI InChI=1S/C24H31Cl3N4O4S/c1-23(2)11-30(36(34,35)31(12-23)21-17(26)5-16(25)6-18(21)27)10-19(32)29-20-14-3-13-4-15(20)9-24(7-13,8-14)22(28)33/h5-6,13-15,20H,3-4,7-12H2,1-2H3,(H2,28,33)(H,29,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
US Patent
| Assay Description
The in vitro inhibitory activities of the novel compounds to human 11β-HSD1 were evaluated in accordance with homogenous time-resolved fluoresce... |
US Patent US9073906 (2015)
BindingDB Entry DOI: 10.7270/Q2RV0MFB |
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