Found 32 hits Enz. Inhib. hit(s) with Target = '7-dehydrocholesterol reductase' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
7-dehydrocholesterol reductase
(Rattus norvegicus) | BDBM50406621
(CHEMBL9820)Show SMILES C[C@H](CC[S+](C)C(C)C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C27H47OS/c1-18(2)29(6)16-13-19(3)23-9-10-24-22-8-7-20-17-21(28)11-14-26(20,4)25(22)12-15-27(23,24)5/h7,18-19,21-25,28H,8-17H2,1-6H3/q+1/t19-,21+,22?,23?,24?,25?,26+,27-,29?/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibition of Delta-(24)-sterol reductase |
J Med Chem 35: 100-6 (1992)
Article DOI: 10.1021/jm00079a012
BindingDB Entry DOI: 10.7270/Q2C82BHD |
More data for this
Ligand-Target Pair | |
7-dehydrocholesterol reductase
(Rattus norvegicus) | BDBM50406617
(CHEMBL276388)Show SMILES C[C@H](CCC(N)=N)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3 Show InChI InChI=1S/C27H46N2O/c1-17(7-10-23(28)29)18-11-15-27(6)20-8-9-21-24(2,3)22(30)13-14-25(21,4)19(20)12-16-26(18,27)5/h17-18,21-22,30H,7-16H2,1-6H3,(H3,28,29)/t17-,18?,21?,22+,25-,26-,27+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibition of Delta-(24)-sterol reductase |
J Med Chem 35: 100-6 (1992)
Article DOI: 10.1021/jm00079a012
BindingDB Entry DOI: 10.7270/Q2C82BHD |
More data for this
Ligand-Target Pair | |
7-dehydrocholesterol reductase
(Rattus norvegicus) | BDBM50406618
(CHEMBL9875)Show SMILES C[C@H](CCC(N)=[N+](C)C)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3 Show InChI InChI=1S/C29H50N2O/c1-19(9-12-25(30)31(7)8)20-13-17-29(6)22-10-11-23-26(2,3)24(32)15-16-27(23,4)21(22)14-18-28(20,29)5/h19-20,23-24,30,32H,9-18H2,1-8H3/p+1/t19-,20?,23?,24+,27-,28-,29+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibition of delta24-sterol reductase |
J Med Chem 35: 100-6 (1992)
Article DOI: 10.1021/jm00079a012
BindingDB Entry DOI: 10.7270/Q2C82BHD |
More data for this
Ligand-Target Pair | |
7-dehydrocholesterol reductase
(Rattus norvegicus) | BDBM50406620
(CHEMBL9864)Show SMILES C[C@H](CCc1ncc[nH]1)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3 Show InChI InChI=1S/C29H46N2O/c1-19(7-10-25-30-17-18-31-25)20-11-15-29(6)22-8-9-23-26(2,3)24(32)13-14-27(23,4)21(22)12-16-28(20,29)5/h17-20,23-24,32H,7-16H2,1-6H3,(H,30,31)/t19-,20?,23?,24+,27-,28-,29+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibition of delta24-sterol reductase |
J Med Chem 35: 100-6 (1992)
Article DOI: 10.1021/jm00079a012
BindingDB Entry DOI: 10.7270/Q2C82BHD |
More data for this
Ligand-Target Pair | |
7-dehydrocholesterol reductase
(Rattus norvegicus) | BDBM50406616
(CHEMBL268041)Show SMILES C[C@H](CCc1nccn1C)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3 Show InChI InChI=1S/C30H48N2O/c1-20(8-11-26-31-18-19-32(26)7)21-12-16-30(6)23-9-10-24-27(2,3)25(33)14-15-28(24,4)22(23)13-17-29(21,30)5/h18-21,24-25,33H,8-17H2,1-7H3/t20-,21?,24?,25+,28-,29-,30+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibition of delta24-sterol reductase |
J Med Chem 35: 100-6 (1992)
Article DOI: 10.1021/jm00079a012
BindingDB Entry DOI: 10.7270/Q2C82BHD |
More data for this
Ligand-Target Pair | |
7-dehydrocholesterol reductase
(Rattus norvegicus) | BDBM50406619
(CHEMBL9808)Show SMILES CC(C)SCC[C@@H](C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C26H44OS/c1-17(2)28-15-12-18(3)22-8-9-23-21-7-6-19-16-20(27)10-13-25(19,4)24(21)11-14-26(22,23)5/h6,17-18,20-24,27H,7-16H2,1-5H3/t18-,20+,21?,22?,23?,24?,25+,26-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibition of Delta-(24)-sterol reductase |
J Med Chem 35: 100-6 (1992)
Article DOI: 10.1021/jm00079a012
BindingDB Entry DOI: 10.7270/Q2C82BHD |
More data for this
Ligand-Target Pair | |
7-dehydrocholesterol reductase
(Homo sapiens (Human)) | BDBM50396754
(CHEMBL2172347)Show InChI InChI=1S/C18H20ClNO2/c1-22-18-11-15-12-20(9-7-14(15)10-17(18)21)8-6-13-2-4-16(19)5-3-13/h2-5,10-11,21H,6-9,12H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-Universit£t Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Inhibition of 7-dehydroxycholesterol reductase-mediated cholesterol biosynthesis in human HL60 cells assessed as inhibition of 2-[13C]acetate after 2... |
J Med Chem 55: 7614-22 (2012)
Article DOI: 10.1021/jm3006096
BindingDB Entry DOI: 10.7270/Q2W95B9V |
More data for this
Ligand-Target Pair | |
7-dehydrocholesterol reductase
(Homo sapiens (Human)) | BDBM50411320
(CHEMBL222694)Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)CCOCCOCCO\N=C\c2ccc(O)c(c2)C(=O)NCN[C@H]2C[C@H](O[C@H]3C[C@@](O)(Cc4c(O)c5C(=O)c6cccc(OC)c6C(=O)c5c(O)c34)C(=O)CO)O[C@@H](C)[C@H]2O)cc1)c1ccccc1 Show InChI InChI=1S/C67H74N4O18/c1-5-46(41-10-7-6-8-11-41)56(42-15-19-44(73)20-16-42)43-17-21-45(22-18-43)86-27-25-71(3)24-26-84-28-29-85-30-31-87-70-36-40-14-23-51(74)48(32-40)66(81)69-38-68-50-33-55(88-39(2)61(50)76)89-53-35-67(82,54(75)37-72)34-49-58(53)65(80)60-59(63(49)78)62(77)47-12-9-13-52(83-4)57(47)64(60)79/h6-23,32,36,39,50,53,55,61,68,72-74,76,78,80,82H,5,24-31,33-35,37-38H2,1-4H3,(H,69,81)/b56-46+,70-36+/t39-,50-,53-,55-,61+,67-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Colorado
Curated by ChEMBL
| Assay Description
Growth inhibition of MCF7 cells expressing ER and antiestrogen binding sites |
J Med Chem 47: 6509-18 (2004)
Article DOI: 10.1021/jm049496b
BindingDB Entry DOI: 10.7270/Q23R0V3T |
More data for this
Ligand-Target Pair | |
7-dehydrocholesterol reductase
(Homo sapiens (Human)) | BDBM50411320
(CHEMBL222694)Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)CCOCCOCCO\N=C\c2ccc(O)c(c2)C(=O)NCN[C@H]2C[C@H](O[C@H]3C[C@@](O)(Cc4c(O)c5C(=O)c6cccc(OC)c6C(=O)c5c(O)c34)C(=O)CO)O[C@@H](C)[C@H]2O)cc1)c1ccccc1 Show InChI InChI=1S/C67H74N4O18/c1-5-46(41-10-7-6-8-11-41)56(42-15-19-44(73)20-16-42)43-17-21-45(22-18-43)86-27-25-71(3)24-26-84-28-29-85-30-31-87-70-36-40-14-23-51(74)48(32-40)66(81)69-38-68-50-33-55(88-39(2)61(50)76)89-53-35-67(82,54(75)37-72)34-49-58(53)65(80)60-59(63(49)78)62(77)47-12-9-13-52(83-4)57(47)64(60)79/h6-23,32,36,39,50,53,55,61,68,72-74,76,78,80,82H,5,24-31,33-35,37-38H2,1-4H3,(H,69,81)/b56-46+,70-36+/t39-,50-,53-,55-,61+,67-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Colorado
Curated by ChEMBL
| Assay Description
Growth inhibition of MDA-MB-231 cells containing antiestrogen binding sites |
J Med Chem 47: 6509-18 (2004)
Article DOI: 10.1021/jm049496b
BindingDB Entry DOI: 10.7270/Q23R0V3T |
More data for this
Ligand-Target Pair | |
7-dehydrocholesterol reductase
(Homo sapiens (Human)) | BDBM50411320
(CHEMBL222694)Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)CCOCCOCCO\N=C\c2ccc(O)c(c2)C(=O)NCN[C@H]2C[C@H](O[C@H]3C[C@@](O)(Cc4c(O)c5C(=O)c6cccc(OC)c6C(=O)c5c(O)c34)C(=O)CO)O[C@@H](C)[C@H]2O)cc1)c1ccccc1 Show InChI InChI=1S/C67H74N4O18/c1-5-46(41-10-7-6-8-11-41)56(42-15-19-44(73)20-16-42)43-17-21-45(22-18-43)86-27-25-71(3)24-26-84-28-29-85-30-31-87-70-36-40-14-23-51(74)48(32-40)66(81)69-38-68-50-33-55(88-39(2)61(50)76)89-53-35-67(82,54(75)37-72)34-49-58(53)65(80)60-59(63(49)78)62(77)47-12-9-13-52(83-4)57(47)64(60)79/h6-23,32,36,39,50,53,55,61,68,72-74,76,78,80,82H,5,24-31,33-35,37-38H2,1-4H3,(H,69,81)/b56-46+,70-36+/t39-,50-,53-,55-,61+,67-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Colorado
Curated by ChEMBL
| Assay Description
Growth inhibition of MDA-MB-435 cells containing antiestrogen binding sites |
J Med Chem 47: 6509-18 (2004)
Article DOI: 10.1021/jm049496b
BindingDB Entry DOI: 10.7270/Q23R0V3T |
More data for this
Ligand-Target Pair | |
7-dehydrocholesterol reductase
(Homo sapiens (Human)) | BDBM50411319
(CHEMBL266892)Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](NCNC(=O)c6ccccc6O)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO Show InChI InChI=1S/C35H36N2O13/c1-15-29(41)19(36-14-37-34(46)16-6-3-4-8-20(16)39)10-24(49-15)50-22-12-35(47,23(40)13-38)11-18-26(22)33(45)28-27(31(18)43)30(42)17-7-5-9-21(48-2)25(17)32(28)44/h3-9,15,19,22,24,29,36,38-39,41,43,45,47H,10-14H2,1-2H3,(H,37,46)/t15-,19-,22-,24-,29+,35-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Colorado
Curated by ChEMBL
| Assay Description
Growth inhibition of MDA-MB-435 cells containing antiestrogen binding sites |
J Med Chem 47: 6509-18 (2004)
Article DOI: 10.1021/jm049496b
BindingDB Entry DOI: 10.7270/Q23R0V3T |
More data for this
Ligand-Target Pair | |
7-dehydrocholesterol reductase
(Homo sapiens (Human)) | BDBM50411320
(CHEMBL222694)Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)CCOCCOCCO\N=C\c2ccc(O)c(c2)C(=O)NCN[C@H]2C[C@H](O[C@H]3C[C@@](O)(Cc4c(O)c5C(=O)c6cccc(OC)c6C(=O)c5c(O)c34)C(=O)CO)O[C@@H](C)[C@H]2O)cc1)c1ccccc1 Show InChI InChI=1S/C67H74N4O18/c1-5-46(41-10-7-6-8-11-41)56(42-15-19-44(73)20-16-42)43-17-21-45(22-18-43)86-27-25-71(3)24-26-84-28-29-85-30-31-87-70-36-40-14-23-51(74)48(32-40)66(81)69-38-68-50-33-55(88-39(2)61(50)76)89-53-35-67(82,54(75)37-72)34-49-58(53)65(80)60-59(63(49)78)62(77)47-12-9-13-52(83-4)57(47)64(60)79/h6-23,32,36,39,50,53,55,61,68,72-74,76,78,80,82H,5,24-31,33-35,37-38H2,1-4H3,(H,69,81)/b56-46+,70-36+/t39-,50-,53-,55-,61+,67-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Colorado
Curated by ChEMBL
| Assay Description
Growth inhibition of multidrug resistant MCF7/Adr cells containing antiestrogen binding sites |
J Med Chem 47: 6509-18 (2004)
Article DOI: 10.1021/jm049496b
BindingDB Entry DOI: 10.7270/Q23R0V3T |
More data for this
Ligand-Target Pair | |
7-dehydrocholesterol reductase
(Homo sapiens (Human)) | BDBM50411319
(CHEMBL266892)Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](NCNC(=O)c6ccccc6O)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO Show InChI InChI=1S/C35H36N2O13/c1-15-29(41)19(36-14-37-34(46)16-6-3-4-8-20(16)39)10-24(49-15)50-22-12-35(47,23(40)13-38)11-18-26(22)33(45)28-27(31(18)43)30(42)17-7-5-9-21(48-2)25(17)32(28)44/h3-9,15,19,22,24,29,36,38-39,41,43,45,47H,10-14H2,1-2H3,(H,37,46)/t15-,19-,22-,24-,29+,35-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Colorado
Curated by ChEMBL
| Assay Description
Growth inhibition of MCF7 cells expressing ER and antiestrogen binding sites |
J Med Chem 47: 6509-18 (2004)
Article DOI: 10.1021/jm049496b
BindingDB Entry DOI: 10.7270/Q23R0V3T |
More data for this
Ligand-Target Pair | |
7-dehydrocholesterol reductase
(Homo sapiens (Human)) | BDBM50411319
(CHEMBL266892)Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](NCNC(=O)c6ccccc6O)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO Show InChI InChI=1S/C35H36N2O13/c1-15-29(41)19(36-14-37-34(46)16-6-3-4-8-20(16)39)10-24(49-15)50-22-12-35(47,23(40)13-38)11-18-26(22)33(45)28-27(31(18)43)30(42)17-7-5-9-21(48-2)25(17)32(28)44/h3-9,15,19,22,24,29,36,38-39,41,43,45,47H,10-14H2,1-2H3,(H,37,46)/t15-,19-,22-,24-,29+,35-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Colorado
Curated by ChEMBL
| Assay Description
Growth inhibition of MDA-MB-231 cells containing antiestrogen binding sites |
J Med Chem 47: 6509-18 (2004)
Article DOI: 10.1021/jm049496b
BindingDB Entry DOI: 10.7270/Q23R0V3T |
More data for this
Ligand-Target Pair | |
7-dehydrocholesterol reductase
(Homo sapiens (Human)) | BDBM50396753
(CHEMBL2172349)Show InChI InChI=1S/C19H23NO3/c1-22-17-5-3-4-14(10-17)6-8-20-9-7-15-11-18(21)19(23-2)12-16(15)13-20/h3-5,10-12,21H,6-9,13H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-Universit£t Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Inhibition of 7-dehydroxycholesterol reductase-mediated cholesterol biosynthesis in human HL60 cells assessed as inhibition of 2-[13C]acetate after 2... |
J Med Chem 55: 7614-22 (2012)
Article DOI: 10.1021/jm3006096
BindingDB Entry DOI: 10.7270/Q2W95B9V |
More data for this
Ligand-Target Pair | |
7-dehydrocholesterol reductase
(Homo sapiens (Human)) | BDBM22984
((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO Show InChI InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1 | Reactome pathway
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| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Colorado
Curated by ChEMBL
| Assay Description
Growth inhibition of MDA-MB-435 cells containing antiestrogen binding sites |
J Med Chem 47: 6509-18 (2004)
Article DOI: 10.1021/jm049496b
BindingDB Entry DOI: 10.7270/Q23R0V3T |
More data for this
Ligand-Target Pair | |
7-dehydrocholesterol reductase
(Homo sapiens (Human)) | BDBM22984
((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO Show InChI InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1 | Reactome pathway
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Colorado
Curated by ChEMBL
| Assay Description
Growth inhibition of MCF7 cells expressing ER and antiestrogen binding sites |
J Med Chem 47: 6509-18 (2004)
Article DOI: 10.1021/jm049496b
BindingDB Entry DOI: 10.7270/Q23R0V3T |
More data for this
Ligand-Target Pair | |
7-dehydrocholesterol reductase
(Homo sapiens (Human)) | BDBM22984
((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO Show InChI InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1 | Reactome pathway
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Colorado
Curated by ChEMBL
| Assay Description
Growth inhibition of MDA-MB-231 cells containing antiestrogen binding sites |
J Med Chem 47: 6509-18 (2004)
Article DOI: 10.1021/jm049496b
BindingDB Entry DOI: 10.7270/Q23R0V3T |
More data for this
Ligand-Target Pair | |
7-dehydrocholesterol reductase
(Homo sapiens (Human)) | BDBM50412080
(CHEMBL342394)Show SMILES CO[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)N(C)C Show InChI InChI=1S/C24H41NO/c1-16(25(4)5)20-9-10-21-19-8-7-17-15-18(26-6)11-13-23(17,2)22(19)12-14-24(20,21)3/h7,16,18-22H,8-15H2,1-6H3/t16-,18-,19-,20+,21-,22-,23-,24+/m0/s1 | Reactome pathway
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| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description
Displacement of [3H]tamoxifen from antiestrogen binding site in Sprague-Dawley rat liver by liquid scintillation counting |
J Nat Prod 61: 1257-62 (1998)
Article DOI: 10.1021/np980162x
BindingDB Entry DOI: 10.7270/Q2B27WJ0 |
More data for this
Ligand-Target Pair | |
7-dehydrocholesterol reductase
(Homo sapiens (Human)) | BDBM50170646
(4-(2-{4-[(E)-3-(4-Chloro-phenyl)-allyl]-piperazin-...)Show SMILES OC(=O)c1ccc(CCN2CCN(C\C=C\c3ccc(Cl)cc3)CC2)cc1 Show InChI InChI=1S/C22H25ClN2O2/c23-21-9-5-18(6-10-21)2-1-12-24-14-16-25(17-15-24)13-11-19-3-7-20(8-4-19)22(26)27/h1-10H,11-17H2,(H,26,27)/b2-1+ | Reactome pathway
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| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-Universit£t Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Inhibition of 7-dehydroxycholesterol reductase-mediated cholesterol biosynthesis in human HL60 cells assessed as inhibition of 2-[13C]acetate after 2... |
J Med Chem 55: 7614-22 (2012)
Article DOI: 10.1021/jm3006096
BindingDB Entry DOI: 10.7270/Q2W95B9V |
More data for this
Ligand-Target Pair | |
7-dehydrocholesterol reductase
(Homo sapiens (Human)) | BDBM50412082
(CHEMBL455316)Show SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](OC(C)=O)C(NC(=O)c5ccccc5)=CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C Show InChI InChI=1S/C32H46N2O3/c1-20(34(5)6)24-14-15-25-23-12-13-27-29(37-21(2)35)28(33-30(36)22-10-8-7-9-11-22)17-19-32(27,4)26(23)16-18-31(24,25)3/h7-11,17,20,23-27,29H,12-16,18-19H2,1-6H3,(H,33,36)/t20-,23-,24+,25-,26-,27-,29+,31+,32+/m0/s1 | Reactome pathway
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| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description
Displacement of [3H]tamoxifen from antiestrogen binding site in Sprague-Dawley rat liver by liquid scintillation counting |
J Nat Prod 61: 1257-62 (1998)
Article DOI: 10.1021/np980162x
BindingDB Entry DOI: 10.7270/Q2B27WJ0 |
More data for this
Ligand-Target Pair | |
7-dehydrocholesterol reductase
(Homo sapiens (Human)) | BDBM50412077
((+)-PACHYSAMINE B)Show SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C(=O)C=C(C)C)N(C)C Show InChI InChI=1S/C29H50N2O/c1-19(2)17-27(32)31(8)22-13-15-28(4)21(18-22)9-10-23-25-12-11-24(20(3)30(6)7)29(25,5)16-14-26(23)28/h17,20-26H,9-16,18H2,1-8H3/t20-,21-,22+,23-,24+,25-,26-,28-,29+/m0/s1 | Reactome pathway
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| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description
Displacement of [3H]tamoxifen from antiestrogen binding site in Sprague-Dawley rat liver by liquid scintillation counting |
J Nat Prod 61: 1257-62 (1998)
Article DOI: 10.1021/np980162x
BindingDB Entry DOI: 10.7270/Q2B27WJ0 |
More data for this
Ligand-Target Pair | |
7-dehydrocholesterol reductase
(Homo sapiens (Human)) | BDBM50411319
(CHEMBL266892)Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](NCNC(=O)c6ccccc6O)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO Show InChI InChI=1S/C35H36N2O13/c1-15-29(41)19(36-14-37-34(46)16-6-3-4-8-20(16)39)10-24(49-15)50-22-12-35(47,23(40)13-38)11-18-26(22)33(45)28-27(31(18)43)30(42)17-7-5-9-21(48-2)25(17)32(28)44/h3-9,15,19,22,24,29,36,38-39,41,43,45,47H,10-14H2,1-2H3,(H,37,46)/t15-,19-,22-,24-,29+,35-/m0/s1 | Reactome pathway
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| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Colorado
Curated by ChEMBL
| Assay Description
Growth inhibition of multidrug resistant MCF7/Adr cells containing antiestrogen binding sites |
J Med Chem 47: 6509-18 (2004)
Article DOI: 10.1021/jm049496b
BindingDB Entry DOI: 10.7270/Q23R0V3T |
More data for this
Ligand-Target Pair | |
7-dehydrocholesterol reductase
(Homo sapiens (Human)) | BDBM50412076
(CHEMBL457817)Show SMILES CC(C)[C@@H]1CN(C1=O)C1=CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC[C@H]2C1=O)[C@H](C)N(C)C Show InChI InChI=1S/C29H46N2O2/c1-17(2)20-16-31(27(20)33)25-13-15-29(5)23-12-14-28(4)21(18(3)30(6)7)10-11-22(28)19(23)8-9-24(29)26(25)32/h13,17-24H,8-12,14-16H2,1-7H3/t18-,19-,20-,21+,22-,23-,24-,28+,29+/m0/s1 | Reactome pathway
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| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description
Displacement of [3H]tamoxifen from antiestrogen binding site in Sprague-Dawley rat liver by liquid scintillation counting |
J Nat Prod 61: 1257-62 (1998)
Article DOI: 10.1021/np980162x
BindingDB Entry DOI: 10.7270/Q2B27WJ0 |
More data for this
Ligand-Target Pair | |
7-dehydrocholesterol reductase
(Homo sapiens (Human)) | BDBM50412083
(CHEMBL458033)Show SMILES CC(C)[C@@H]1CN(C1=O)C1=CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H](O)[C@@H]4[C@H](C)N(C)C)[C@@H]3CC[C@H]2C1=O Show InChI InChI=1S/C29H46N2O3/c1-16(2)19-15-31(27(19)34)23-11-13-28(4)20-10-12-29(5)22(18(20)8-9-21(28)26(23)33)14-24(32)25(29)17(3)30(6)7/h11,16-22,24-25,32H,8-10,12-15H2,1-7H3/t17-,18+,19-,20-,21-,22-,24-,25-,28+,29-/m0/s1 | Reactome pathway
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| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description
Displacement of [3H]tamoxifen from antiestrogen binding site in Sprague-Dawley rat liver by liquid scintillation counting |
J Nat Prod 61: 1257-62 (1998)
Article DOI: 10.1021/np980162x
BindingDB Entry DOI: 10.7270/Q2B27WJ0 |
More data for this
Ligand-Target Pair | |
7-dehydrocholesterol reductase
(Homo sapiens (Human)) | BDBM50412081
(CHEMBL505436)Show SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](OC(C)=O)[C@H]([C@H](O)C[C@]4(C)[C@H]3CC[C@]12C)N1C(=O)c2ccccc2C1=O)N(C)C Show InChI InChI=1S/C33H46N2O5/c1-18(34(5)6)23-13-14-24-22-11-12-26-29(40-19(2)36)28(35-30(38)20-9-7-8-10-21(20)31(35)39)27(37)17-33(26,4)25(22)15-16-32(23,24)3/h7-10,18,22-29,37H,11-17H2,1-6H3/t18-,22-,23+,24-,25-,26-,27+,28-,29+,32+,33+/m0/s1 | Reactome pathway
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| n/a | n/a | 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description
Displacement of [3H]tamoxifen from antiestrogen binding site in Sprague-Dawley rat liver by liquid scintillation counting |
J Nat Prod 61: 1257-62 (1998)
Article DOI: 10.1021/np980162x
BindingDB Entry DOI: 10.7270/Q2B27WJ0 |
More data for this
Ligand-Target Pair | |
7-dehydrocholesterol reductase
(Homo sapiens (Human)) | BDBM50396752
(CHEMBL2172350)Show InChI InChI=1S/C20H25NO4/c1-23-18-5-4-14(10-20(18)25-3)6-8-21-9-7-15-11-17(22)19(24-2)12-16(15)13-21/h4-5,10-12,22H,6-9,13H2,1-3H3 | Reactome pathway
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| n/a | n/a | 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-Universit£t Halle-Wittenberg
Curated by ChEMBL
| Assay Description
Inhibition of 7-dehydroxycholesterol reductase-mediated cholesterol biosynthesis in human HL60 cells assessed as inhibition of 2-[13C]acetate after 2... |
J Med Chem 55: 7614-22 (2012)
Article DOI: 10.1021/jm3006096
BindingDB Entry DOI: 10.7270/Q2W95B9V |
More data for this
Ligand-Target Pair | |
7-dehydrocholesterol reductase
(Homo sapiens (Human)) | BDBM50412079
(CHEMBL456512)Show SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C(=O)c1ccccc51)N(C)C Show InChI InChI=1S/C31H46N2O/c1-20(32(4)5)24-13-14-25-22-12-11-21-19-31(27-10-8-7-9-23(27)28(34)33(31)6)18-17-29(21,2)26(22)15-16-30(24,25)3/h7-10,20-22,24-26H,11-19H2,1-6H3/t20-,21-,22-,24+,25-,26-,29-,30+,31+/m0/s1 | Reactome pathway
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| n/a | n/a | 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description
Displacement of [3H]tamoxifen from antiestrogen binding site in Sprague-Dawley rat liver by liquid scintillation counting |
J Nat Prod 61: 1257-62 (1998)
Article DOI: 10.1021/np980162x
BindingDB Entry DOI: 10.7270/Q2B27WJ0 |
More data for this
Ligand-Target Pair | |
7-dehydrocholesterol reductase
(Homo sapiens (Human)) | BDBM50135147
((+)-axillaridine A | 14-(1-dimethylaminoethyl)-2,1...)Show SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C(=O)C(NC(=O)c5ccccc5)=CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C Show InChI InChI=1S/C30H42N2O2/c1-19(32(4)5)22-13-14-23-21-11-12-25-27(33)26(31-28(34)20-9-7-6-8-10-20)16-18-30(25,3)24(21)15-17-29(22,23)2/h6-10,16,19,21-25H,11-15,17-18H2,1-5H3,(H,31,34)/t19-,21-,22+,23-,24-,25-,29+,30+/m0/s1 | Reactome pathway
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| Article
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| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description
Displacement of [3H]tamoxifen from antiestrogen binding site in Sprague-Dawley rat liver by liquid scintillation counting |
J Nat Prod 61: 1257-62 (1998)
Article DOI: 10.1021/np980162x
BindingDB Entry DOI: 10.7270/Q2B27WJ0 |
More data for this
Ligand-Target Pair | |
7-dehydrocholesterol reductase
(Homo sapiens (Human)) | BDBM22984
((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO Show InChI InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1 | Reactome pathway
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| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Colorado
Curated by ChEMBL
| Assay Description
Growth inhibition of multidrug resistant MCF7/Adr cells containing antiestrogen binding sites |
J Med Chem 47: 6509-18 (2004)
Article DOI: 10.1021/jm049496b
BindingDB Entry DOI: 10.7270/Q23R0V3T |
More data for this
Ligand-Target Pair | |
7-dehydrocholesterol reductase
(Homo sapiens (Human)) | BDBM50412078
(EPIPACHYSAMINE D)Show SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NC(=O)c1ccccc1)N(C)C Show InChI InChI=1S/C30H46N2O/c1-20(32(4)5)25-13-14-26-24-12-11-22-19-23(31-28(33)21-9-7-6-8-10-21)15-17-29(22,2)27(24)16-18-30(25,26)3/h6-10,20,22-27H,11-19H2,1-5H3,(H,31,33)/t20-,22-,23-,24-,25+,26-,27-,29-,30+/m0/s1 | Reactome pathway
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| PC cid
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| Article
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description
Displacement of [3H]tamoxifen from antiestrogen binding site in Sprague-Dawley rat liver by liquid scintillation counting |
J Nat Prod 61: 1257-62 (1998)
Article DOI: 10.1021/np980162x
BindingDB Entry DOI: 10.7270/Q2B27WJ0 |
More data for this
Ligand-Target Pair | |
7-dehydrocholesterol reductase
(Homo sapiens (Human)) | BDBM20607
((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...)Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 Show InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25- | Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
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CHEBI
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a |
The Feinberg School of Medicine of Northwestern University
Curated by ChEMBL
| Assay Description
Binding affinity towards antiestrogen binding site AEBS |
J Med Chem 46: 883-908 (2003)
Article DOI: 10.1021/jm020449y
BindingDB Entry DOI: 10.7270/Q2474C27 |
More data for this
Ligand-Target Pair | |
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