null

SMILES: [H][C@@]12CC[C@H](C(=O)Nc3ccccc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)CC[C@]12C

InChI Key: InChIKey=CXCHAQSCCCXEAH-QKONGSNMSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50269785   

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
Androgen receptor (Homo sapiens (Human))	BDBM50269785 (CHEMBL4064645) Show SMILES [H][C@@]12CC[C@H](C(=O)Nc3ccccc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)CC[C@]12C |r| Show InChI InChI=1S/C25H34N2O2/c1-24-14-12-19-17(8-11-21-25(19,2)15-13-22(28)27-21)18(24)9-10-20(24)23(29)26-16-6-4-3-5-7-16/h3-7,17-21H,8-15H2,1-2H3,(H,26,29)(H,27,28)/t17-,18-,19-,20+,21+,24-,25+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Key Laboratory of Drug Design and Optimization, China Pharmaceutical University, 24 Tongjiaxiang, Nanjing 210009, PR China; Department of Medicinal Chemistry, School of Pharmacy, China Pharma Curated by ChEMBL					Assay Description Displacement of [3H]-DHT from recombinant human androgen receptor expressed in CHO cells				Bioorg Med Chem Lett 27: 4212-4217 (2017) Article DOI: 10.1016/j.bmcl.2017.05.078 BindingDB Entry DOI: 10.7270/Q2R78HQH
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50269785 (CHEMBL4064645) Show SMILES [H][C@@]12CC[C@H](C(=O)Nc3ccccc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)CC[C@]12C |r| Show InChI InChI=1S/C25H34N2O2/c1-24-14-12-19-17(8-11-21-25(19,2)15-13-22(28)27-21)18(24)9-10-20(24)23(29)26-16-6-4-3-5-7-16/h3-7,17-21H,8-15H2,1-2H3,(H,26,29)(H,27,28)/t17-,18-,19-,20+,21+,24-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Key Laboratory of Drug Design and Optimization, China Pharmaceutical University, 24 Tongjiaxiang, Nanjing 210009, PR China; Department of Medicinal Chemistry, School of Pharmacy, China Pharma Curated by ChEMBL					Assay Description Inhibition of recombinant human 5alpha-reductase type2 expressed in baculovirus expression system using [7-3H]T as substrate pretreated for 18 hrs fo...				Bioorg Med Chem Lett 27: 4212-4217 (2017) Article DOI: 10.1016/j.bmcl.2017.05.078 BindingDB Entry DOI: 10.7270/Q2R78HQH
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50269785 (CHEMBL4064645) Show SMILES [H][C@@]12CC[C@H](C(=O)Nc3ccccc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)CC[C@]12C |r| Show InChI InChI=1S/C25H34N2O2/c1-24-14-12-19-17(8-11-21-25(19,2)15-13-22(28)27-21)18(24)9-10-20(24)23(29)26-16-6-4-3-5-7-16/h3-7,17-21H,8-15H2,1-2H3,(H,26,29)(H,27,28)/t17-,18-,19-,20+,21+,24-,25+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Key Laboratory of Drug Design and Optimization, China Pharmaceutical University, 24 Tongjiaxiang, Nanjing 210009, PR China; Department of Medicinal Chemistry, School of Pharmacy, China Pharma Curated by ChEMBL					Assay Description Inhibition of recombinant human 5alpha-reductase type1 expressed in baculovirus expression system using [7-3H]T as substrate pretreated for 18 hrs fo...				Bioorg Med Chem Lett 27: 4212-4217 (2017) Article DOI: 10.1016/j.bmcl.2017.05.078 BindingDB Entry DOI: 10.7270/Q2R78HQH
					More data for this Ligand-Target Pair