Found 15 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50370656
(CHEMBL1627749)Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC(CC(=O)NCc1cccnc1)C2=O Show InChI InChI=1S/C26H30N2O3/c1-26-9-8-21-20-7-5-19(29)11-17(20)4-6-22(21)23(26)12-18(25(26)31)13-24(30)28-15-16-3-2-10-27-14-16/h2-3,5,7,10-11,14,18,21-23,29H,4,6,8-9,12-13,15H2,1H3,(H,28,30)/t18?,21-,22-,23+,26+/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 | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of 17-beta HSD1 in T47D cells |
J Med Chem 49: 1325-45 (2006)
Article DOI: 10.1021/jm050830t
BindingDB Entry DOI: 10.7270/Q2C24X7J |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50172493
((13S)-3-hydroxy-16-(hydroxymethylene)-13-methyl-7,...)Show InChI InChI=1S/C19H22O3/c1-19-7-6-15-14-5-3-13(21)8-11(14)2-4-16(15)17(19)9-12(10-20)18(19)22/h3,5,8,10,12,15-17,21H,2,4,6-7,9H2,1H3/t12?,15?,16?,17?,19-/m0/s1 | 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 | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of 17-beta HSD1 in T47D cells |
J Med Chem 49: 1325-45 (2006)
Article DOI: 10.1021/jm050830t
BindingDB Entry DOI: 10.7270/Q2C24X7J |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50172503
((S)-6a-Methyl-4b,5,6,6a,8,10,10a,10b,11,12-decahyd...)Show InChI InChI=1S/C19H22N2O/c1-19-7-6-15-14-5-3-13(22)8-11(14)2-4-16(15)17(19)9-12-10-20-21-18(12)19/h3,5,8,10,15-17,22H,2,4,6-7,9H2,1H3,(H,20,21)/t15?,16?,17?,19-/m0/s1 | 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 | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of 17-beta HSD1 in T47D cells |
J Med Chem 49: 1325-45 (2006)
Article DOI: 10.1021/jm050830t
BindingDB Entry DOI: 10.7270/Q2C24X7J |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50370701
(CHEMBL1627773)Show SMILES CCOC(=O)CC1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O Show InChI InChI=1S/C22H28O4/c1-3-26-20(24)12-14-11-19-18-6-4-13-10-15(23)5-7-16(13)17(18)8-9-22(19,2)21(14)25/h5,7,10,14,17-19,23H,3-4,6,8-9,11-12H2,1-2H3/t14?,17-,18-,19+,22+/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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of 17-beta HSD1 in T47D cells |
J Med Chem 49: 1325-45 (2006)
Article DOI: 10.1021/jm050830t
BindingDB Entry DOI: 10.7270/Q2C24X7J |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50370702
(CHEMBL1627790)Show SMILES CCOC[C@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O Show InChI InChI=1S/C21H28O3/c1-3-24-12-14-11-19-18-6-4-13-10-15(22)5-7-16(13)17(18)8-9-21(19,2)20(14)23/h5,7,10,14,17-19,22H,3-4,6,8-9,11-12H2,1-2H3/t14-,17-,18-,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 | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of 17-beta HSD1 in T47D cells |
J Med Chem 49: 1325-45 (2006)
Article DOI: 10.1021/jm050830t
BindingDB Entry DOI: 10.7270/Q2C24X7J |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM17289
((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of 17-beta HSD1 in T47D cells |
J Med Chem 49: 1325-45 (2006)
Article DOI: 10.1021/jm050830t
BindingDB Entry DOI: 10.7270/Q2C24X7J |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50370698
(CHEMBL1628005)Show SMILES C[C@]12CC[C@H]3[C@@H](CC(=O)c4cc(O)ccc34)[C@@H]1CCC2=O Show InChI InChI=1S/C18H20O3/c1-18-7-6-12-11-3-2-10(19)8-14(11)16(20)9-13(12)15(18)4-5-17(18)21/h2-3,8,12-13,15,19H,4-7,9H2,1H3/t12-,13-,15+,18+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of 17-beta HSD1 in T47D cells |
J Med Chem 49: 1325-45 (2006)
Article DOI: 10.1021/jm050830t
BindingDB Entry DOI: 10.7270/Q2C24X7J |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50370695
(CHEMBL1628021)Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC(CC(=O)NCC1CCCO1)C2=O Show InChI InChI=1S/C25H33NO4/c1-25-9-8-20-19-7-5-17(27)11-15(19)4-6-21(20)22(25)12-16(24(25)29)13-23(28)26-14-18-3-2-10-30-18/h5,7,11,16,18,20-22,27H,2-4,6,8-10,12-14H2,1H3,(H,26,28)/t16?,18?,20-,21-,22+,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 | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of 17-beta HSD1 in T47D cells |
J Med Chem 49: 1325-45 (2006)
Article DOI: 10.1021/jm050830t
BindingDB Entry DOI: 10.7270/Q2C24X7J |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50182496
(2-hydroxy-6a-methyl-5,6,6a,8,10,10a,10b,11-octahyd...)Show SMILES C[C@]12CCC3C(CC(=O)c4cc(O)ccc34)C1Cc1cn[nH]c21 Show InChI InChI=1S/C19H20N2O2/c1-19-5-4-13-12-3-2-11(22)7-15(12)17(23)8-14(13)16(19)6-10-9-20-21-18(10)19/h2-3,7,9,13-14,16,22H,4-6,8H2,1H3,(H,20,21)/t13?,14?,16?,19-/m0/s1 | 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 | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of 17-beta HSD1 in T47D cells |
J Med Chem 49: 1325-45 (2006)
Article DOI: 10.1021/jm050830t
BindingDB Entry DOI: 10.7270/Q2C24X7J |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50370696
(CHEMBL1627763)Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC([C@@H]2O)C(=O)NCc1cccnc1 Show InChI InChI=1S/C25H30N2O3/c1-25-9-8-19-18-7-5-17(28)11-16(18)4-6-20(19)22(25)12-21(23(25)29)24(30)27-14-15-3-2-10-26-13-15/h2-3,5,7,10-11,13,19-23,28-29H,4,6,8-9,12,14H2,1H3,(H,27,30)/t19-,20-,21?,22+,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 | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of 17-beta HSD1 in T47D cells |
J Med Chem 49: 1325-45 (2006)
Article DOI: 10.1021/jm050830t
BindingDB Entry DOI: 10.7270/Q2C24X7J |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50370703
(CHEMBL1627771)Show SMILES CC(NC(=O)C1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@H]1O)c1ccccc1 Show InChI InChI=1S/C27H33NO3/c1-16(17-6-4-3-5-7-17)28-26(31)23-15-24-22-10-8-18-14-19(29)9-11-20(18)21(22)12-13-27(24,2)25(23)30/h3-7,9,11,14,16,21-25,29-30H,8,10,12-13,15H2,1-2H3,(H,28,31)/t16?,21-,22-,23?,24+,25+,27+/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 | 810 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of 17-beta HSD1 in T47D cells |
J Med Chem 49: 1325-45 (2006)
Article DOI: 10.1021/jm050830t
BindingDB Entry DOI: 10.7270/Q2C24X7J |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50370664
(CHEMBL1627756)Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC(N=O)C2=O Show InChI InChI=1S/C18H21NO3/c1-18-7-6-13-12-5-3-11(20)8-10(12)2-4-14(13)15(18)9-16(19-22)17(18)21/h3,5,8,13-16,20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16?,18+/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 | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of 17-beta HSD1 in T47D cells |
J Med Chem 49: 1325-45 (2006)
Article DOI: 10.1021/jm050830t
BindingDB Entry DOI: 10.7270/Q2C24X7J |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50370700
(CHEMBL1628135)Show SMILES CNC(=O)CC1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O Show InChI InChI=1S/C21H27NO3/c1-21-8-7-16-15-6-4-14(23)9-12(15)3-5-17(16)18(21)10-13(20(21)25)11-19(24)22-2/h4,6,9,13,16-18,23H,3,5,7-8,10-11H2,1-2H3,(H,22,24)/t13?,16-,17-,18+,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 | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of 17-beta HSD1 in T47D cells |
J Med Chem 49: 1325-45 (2006)
Article DOI: 10.1021/jm050830t
BindingDB Entry DOI: 10.7270/Q2C24X7J |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50370699
(CHEMBL1627779)Show SMILES C[C@]12CC[C@H]3[C@@H](CC(N=O)c4cc(O)ccc34)[C@@H]1CCC2N=O Show InChI InChI=1S/C18H22N2O3/c1-18-7-6-12-11-3-2-10(21)8-14(11)16(19-22)9-13(12)15(18)4-5-17(18)20-23/h2-3,8,12-13,15-17,21H,4-7,9H2,1H3/t12-,13-,15+,16?,17?,18+/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 | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of 17-beta HSD1 in T47D cells |
J Med Chem 49: 1325-45 (2006)
Article DOI: 10.1021/jm050830t
BindingDB Entry DOI: 10.7270/Q2C24X7J |
More data for this
Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50370697
(CHEMBL1628134)Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C\C(=C/c1ccncc1)[C@@H]2O Show InChI InChI=1S/C24H27NO2/c1-24-9-6-20-19-5-3-18(26)13-16(19)2-4-21(20)22(24)14-17(23(24)27)12-15-7-10-25-11-8-15/h3,5,7-8,10-13,20-23,26-27H,2,4,6,9,14H2,1H3/b17-12+/t20-,21-,22+,23+,24+/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 | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Inhibition of 17-beta HSD1 in T47D cells |
J Med Chem 49: 1325-45 (2006)
Article DOI: 10.1021/jm050830t
BindingDB Entry DOI: 10.7270/Q2C24X7J |
More data for this
Ligand-Target Pair | |
Search and Browse
