Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50015426 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 |
Androgen receptor
(Homo sapiens (Human)) | BDBM50135908
(4-(4,4-Dimethyl-2,5-dioxo-imidazolidin-1-yl)-2-tri...)Show InChI InChI=1S/C13H10F3N3O2/c1-12(2)10(20)19(11(21)18-12)8-4-3-7(6-17)9(5-8)13(14,15)16/h3-5H,1-2H3,(H,18,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Colorado
Curated by ChEMBL
| Assay Description Inhibition of [3H]-Mibolerone binding to human Androgen receptor of PC3/AR Cell Lysate |
J Med Chem 47: 5690-9 (2004)
Article DOI: 10.1021/jm0495226 BindingDB Entry DOI: 10.7270/Q2X066HG |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50135912
(5,5-Dimethyl-3-(alpha,alpha,alpha-trifluoro-4-nitr...)Show SMILES CC1(C)NC(=O)N(C1=O)c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C12H10F3N3O4/c1-11(2)9(19)17(10(20)16-11)6-3-4-8(18(21)22)7(5-6)12(13,14)15/h3-5H,1-2H3,(H,16,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
| DrugBank Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Colorado
Curated by ChEMBL
| Assay Description Inhibition of [3H]-Mibolerone binding to human Androgen receptor of PC3/AR Cell Lysate |
J Med Chem 47: 5690-9 (2004)
Article DOI: 10.1021/jm0495226 BindingDB Entry DOI: 10.7270/Q2X066HG |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50410198
(CHEMBL2113036)Show SMILES CC1(C)N(OCC#CCCc2ccc(O)c(c2)C(N)=O)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C25H21F3N4O5/c1-24(2)22(35)31(17-9-8-16(14-29)19(13-17)25(26,27)28)23(36)32(24)37-11-5-3-4-6-15-7-10-20(33)18(12-15)21(30)34/h7-10,12-13,33H,4,6,11H2,1-2H3,(H2,30,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Colorado
Curated by ChEMBL
| Assay Description Inhibition of [3H]-Mibolerone binding to human Androgen receptor of PC3/AR Cell Lysate |
J Med Chem 47: 5690-9 (2004)
Article DOI: 10.1021/jm0495226 BindingDB Entry DOI: 10.7270/Q2X066HG |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50155877
(CHEMBL386437 | Doxorubicin-Formaldehyde Conjugate)Show SMILES CCCC(=O)Oc1ccc(COCC#CCN2C(=O)N(C(=O)C2(C)C)c2ccc(C#N)c(c2)C(F)(F)F)cc1C(=O)NCN[C@H]1CC(OC2C[C@@](O)(Cc3c(O)c4C(=O)c5cccc(OC)c5C(=O)c4c(O)c23)C(=O)CO)O[C@@H](C)[C@H]1O Show InChI InChI=1S/C57H56F3N5O17/c1-6-10-41(68)81-37-16-13-29(26-79-18-8-7-17-64-54(76)65(53(75)55(64,3)4)31-15-14-30(24-61)35(20-31)57(58,59)60)19-33(37)52(74)63-27-62-36-21-42(80-28(2)47(36)69)82-39-23-56(77,40(67)25-66)22-34-44(39)51(73)46-45(49(34)71)48(70)32-11-9-12-38(78-5)43(32)50(46)72/h9,11-16,19-20,28,36,39,42,47,62,66,69,71,73,77H,6,10,17-18,21-23,25-27H2,1-5H3,(H,63,74)/t28-,36-,39?,42?,47+,56-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Colorado
Curated by ChEMBL
| Assay Description Inhibition of [3H]-Mibolerone binding to human Androgen receptor of PC3/AR Cell Lysate |
J Med Chem 47: 5690-9 (2004)
Article DOI: 10.1021/jm0495226 BindingDB Entry DOI: 10.7270/Q2X066HG |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50410197
(CHEMBL2113034)Show SMILES CC1(C)N(OCCOCCCc2ccc(O)c(c2)C(N)=O)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C25H25F3N4O6/c1-24(2)22(35)31(17-7-6-16(14-29)19(13-17)25(26,27)28)23(36)32(24)38-11-10-37-9-3-4-15-5-8-20(33)18(12-15)21(30)34/h5-8,12-13,33H,3-4,9-11H2,1-2H3,(H2,30,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Colorado
Curated by ChEMBL
| Assay Description Inhibition of [3H]-Mibolerone binding to human Androgen receptor of PC3/AR Cell Lysate |
J Med Chem 47: 5690-9 (2004)
Article DOI: 10.1021/jm0495226 BindingDB Entry DOI: 10.7270/Q2X066HG |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50155875
(CHEMBL264131 | Doxorubicin-Formaldehyde Conjugate)Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(CC(OC5C[C@H](NCNC(=O)c6cc(COCC#CCN7C(=O)N(C(=O)C7(C)C)c7ccc(C#N)c(c7)C(F)(F)F)ccc6O)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO Show InChI InChI=1S/C53H50F3N5O16/c1-25-43(65)33(18-38(76-25)77-36-20-52(73,37(64)22-62)19-31-40(36)47(69)42-41(45(31)67)44(66)29-8-7-9-35(74-4)39(29)46(42)68)58-24-59-48(70)30-16-26(10-13-34(30)63)23-75-15-6-5-14-60-50(72)61(49(71)51(60,2)3)28-12-11-27(21-57)32(17-28)53(54,55)56/h7-13,16-17,25,33,36,38,43,58,62-63,65,67,69,73H,14-15,18-20,22-24H2,1-4H3,(H,59,70)/t25-,33-,36?,38?,43+,52-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Colorado
Curated by ChEMBL
| Assay Description Inhibition of [3H]-Mibolerone binding to human Androgen receptor of PC3/AR Cell Lysate |
J Med Chem 47: 5690-9 (2004)
Article DOI: 10.1021/jm0495226 BindingDB Entry DOI: 10.7270/Q2X066HG |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50131270
(2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]prop...)Show SMILES CC(C)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 154 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Colorado
Curated by ChEMBL
| Assay Description Inhibition of [3H]-Mibolerone binding to human Androgen receptor of PC3/AR Cell Lysate |
J Med Chem 47: 5690-9 (2004)
Article DOI: 10.1021/jm0495226 BindingDB Entry DOI: 10.7270/Q2X066HG |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50410196
(CHEMBL2113032)Show SMILES CC1(C)N(OCCOCCOCCCc2ccc(O)c(c2)C(N)=O)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C27H29F3N4O7/c1-26(2)24(37)33(19-7-6-18(16-31)21(15-19)27(28,29)30)25(38)34(26)41-13-12-40-11-10-39-9-3-4-17-5-8-22(35)20(14-17)23(32)36/h5-8,14-15,35H,3-4,9-13H2,1-2H3,(H2,32,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 332 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Colorado
Curated by ChEMBL
| Assay Description Inhibition of [3H]-Mibolerone binding to human Androgen receptor of PC3/AR Cell Lysate |
J Med Chem 47: 5690-9 (2004)
Article DOI: 10.1021/jm0495226 BindingDB Entry DOI: 10.7270/Q2X066HG |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50135915
(5-{2-[4-(2-{2-[3-(4-Cyano-3-trifluoromethyl-phenyl...)Show SMILES CC1(C)N(CCOCCN2CCN(CCOCc3ccc(O)c(c3)C(N)=O)CC2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C31H37F3N6O6/c1-30(2)28(43)40(23-5-4-22(19-35)25(18-23)31(32,33)34)29(44)39(30)13-16-45-14-11-37-7-9-38(10-8-37)12-15-46-20-21-3-6-26(41)24(17-21)27(36)42/h3-6,17-18,41H,7-16,20H2,1-2H3,(H2,36,42) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 346 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Colorado
Curated by ChEMBL
| Assay Description Inhibition of [3H]-Mibolerone binding to human Androgen receptor of PC3/AR Cell Lysate |
J Med Chem 47: 5690-9 (2004)
Article DOI: 10.1021/jm0495226 BindingDB Entry DOI: 10.7270/Q2X066HG |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50135909
(5-[2-(4-{4-[3-(4-Cyano-3-trifluoromethyl-phenyl)-5...)Show SMILES CC1(C)N(CCCCN2CCN(CCOCc3ccc(O)c(c3)C(N)=O)CC2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C31H37F3N6O5/c1-30(2)28(43)40(23-7-6-22(19-35)25(18-23)31(32,33)34)29(44)39(30)10-4-3-9-37-11-13-38(14-12-37)15-16-45-20-21-5-8-26(41)24(17-21)27(36)42/h5-8,17-18,41H,3-4,9-16,20H2,1-2H3,(H2,36,42) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Colorado
Curated by ChEMBL
| Assay Description Inhibition of [3H]-Mibolerone binding to human Androgen receptor of PC3/AR Cell Lysate |
J Med Chem 47: 5690-9 (2004)
Article DOI: 10.1021/jm0495226 BindingDB Entry DOI: 10.7270/Q2X066HG |
More data for this Ligand-Target Pair | |