Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50041487 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 |
|---|
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 |r| 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
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| 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 |r| 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
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |r| 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
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |r| 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
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |r| 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
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |r| 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
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |r| 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
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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)) | 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 |r| 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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 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 |r| 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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 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 |r| 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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 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)) | 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 |r| 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
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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)) | 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 |r| 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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 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 | |
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