Found 6 hits for monomerid = 50517880 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Steroid 5-alpha-reductase
(Rattus norvegicus) | BDBM50517880
(CHEMBL4569322)Show SMILES [H][C@@]12CC[C@H](C(=O)NC(c3ccccc3)(C(F)(F)F)C(F)(F)F)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)C=C[C@]12C |r,c:41| Show InChI InChI=1S/C28H32F6N2O2/c1-24-14-12-19-17(8-11-21-25(19,2)15-13-22(37)35-21)18(24)9-10-20(24)23(38)36-26(27(29,30)31,28(32,33)34)16-6-4-3-5-7-16/h3-7,13,15,17-21H,8-12,14H2,1-2H3,(H,35,37)(H,36,38)/t17-,18-,19-,20+,21+,24-,25+/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of type 2 5alpha reductase in rat prostate |
J Med Chem 61: 5822-5880 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01788 |
More data for this
Ligand-Target Pair | |
Steroid 5-alpha-reductase
(Homo sapiens (Human)) | BDBM50517880
(CHEMBL4569322)Show SMILES [H][C@@]12CC[C@H](C(=O)NC(c3ccccc3)(C(F)(F)F)C(F)(F)F)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)C=C[C@]12C |r,c:41| Show InChI InChI=1S/C28H32F6N2O2/c1-24-14-12-19-17(8-11-21-25(19,2)15-13-22(37)35-21)18(24)9-10-20(24)23(38)36-26(27(29,30)31,28(32,33)34)16-6-4-3-5-7-16/h3-7,13,15,17-21H,8-12,14H2,1-2H3,(H,35,37)(H,36,38)/t17-,18-,19-,20+,21+,24-,25+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human type 2 5alpha reductase |
J Med Chem 61: 5822-5880 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01788 |
More data for this
Ligand-Target Pair | |
Steroid 5-alpha-reductase
(Homo sapiens (Human)) | BDBM50517880
(CHEMBL4569322)Show SMILES [H][C@@]12CC[C@H](C(=O)NC(c3ccccc3)(C(F)(F)F)C(F)(F)F)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)C=C[C@]12C |r,c:41| Show InChI InChI=1S/C28H32F6N2O2/c1-24-14-12-19-17(8-11-21-25(19,2)15-13-22(37)35-21)18(24)9-10-20(24)23(38)36-26(27(29,30)31,28(32,33)34)16-6-4-3-5-7-16/h3-7,13,15,17-21H,8-12,14H2,1-2H3,(H,35,37)(H,36,38)/t17-,18-,19-,20+,21+,24-,25+/m0/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human type 1 5alpha reductase |
J Med Chem 61: 5822-5880 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01788 |
More data for this
Ligand-Target Pair | |
Steroid 5-alpha-reductase
(Rattus norvegicus) | BDBM50517880
(CHEMBL4569322)Show SMILES [H][C@@]12CC[C@H](C(=O)NC(c3ccccc3)(C(F)(F)F)C(F)(F)F)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)C=C[C@]12C |r,c:41| Show InChI InChI=1S/C28H32F6N2O2/c1-24-14-12-19-17(8-11-21-25(19,2)15-13-22(37)35-21)18(24)9-10-20(24)23(38)36-26(27(29,30)31,28(32,33)34)16-6-4-3-5-7-16/h3-7,13,15,17-21H,8-12,14H2,1-2H3,(H,35,37)(H,36,38)/t17-,18-,19-,20+,21+,24-,25+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of type 1 5alpha reductase in rat prostate |
J Med Chem 61: 5822-5880 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01788 |
More data for this
Ligand-Target Pair | |
Steroid 5-alpha-reductase
(Homo sapiens (Human)) | BDBM50517880
(CHEMBL4569322)Show SMILES [H][C@@]12CC[C@H](C(=O)NC(c3ccccc3)(C(F)(F)F)C(F)(F)F)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)C=C[C@]12C |r,c:41| Show InChI InChI=1S/C28H32F6N2O2/c1-24-14-12-19-17(8-11-21-25(19,2)15-13-22(37)35-21)18(24)9-10-20(24)23(38)36-26(27(29,30)31,28(32,33)34)16-6-4-3-5-7-16/h3-7,13,15,17-21H,8-12,14H2,1-2H3,(H,35,37)(H,36,38)/t17-,18-,19-,20+,21+,24-,25+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of type 2 5alpha reductase in human prostate |
J Med Chem 61: 5822-5880 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01788 |
More data for this
Ligand-Target Pair | |
Steroid 5-alpha-reductase
(Homo sapiens (Human)) | BDBM50517880
(CHEMBL4569322)Show SMILES [H][C@@]12CC[C@H](C(=O)NC(c3ccccc3)(C(F)(F)F)C(F)(F)F)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)C=C[C@]12C |r,c:41| Show InChI InChI=1S/C28H32F6N2O2/c1-24-14-12-19-17(8-11-21-25(19,2)15-13-22(37)35-21)18(24)9-10-20(24)23(38)36-26(27(29,30)31,28(32,33)34)16-6-4-3-5-7-16/h3-7,13,15,17-21H,8-12,14H2,1-2H3,(H,35,37)(H,36,38)/t17-,18-,19-,20+,21+,24-,25+/m0/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of type 1 5alpha reductase in human prostate |
J Med Chem 61: 5822-5880 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01788 |
More data for this
Ligand-Target Pair | |
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