BDBM50340474 (1S,3aS,3bS,9aR,9bS,11aS)-N,N-diethyl-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[i]phenanthridine-1-carboxamide::CHEMBL1762031

SMILES: CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CN=C4C(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C

InChI Key: InChIKey=ZTHAQUDQAORYRJ-UEEAUCFFSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50340474   

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 (Homo sapiens (Human))	BDBM50340474 ((1S,3aS,3bS,9aR,9bS,11aS)-N,N-diethyl-6,9a,11a-tri...) Show SMILES CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CN=C4C(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:13| Show InChI InChI=1S/C24H38N2O2/c1-6-26(7-2)22(28)19-9-8-17-16-14-25-21-15(3)20(27)11-13-24(21,5)18(16)10-12-23(17,19)4/h15-19H,6-14H2,1-5H3/t15?,16-,17-,18-,19+,23-,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Homo sapiens (human) Steroid 5-alpha-reductase type 2				Citation and Details Article DOI: 10.1007/s00044-012-0006-1 BindingDB Entry DOI: 10.7270/Q29889WK
					More data for this Ligand-Target Pair
3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase (Mycobacterium tuberculosis)	BDBM50340474 ((1S,3aS,3bS,9aR,9bS,11aS)-N,N-diethyl-6,9a,11a-tri...) Show SMILES CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CN=C4C(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:13| Show InChI InChI=1S/C24H38N2O2/c1-6-26(7-2)22(28)19-9-8-17-16-14-25-21-15(3)20(27)11-13-24(21,5)18(16)10-12-23(17,19)4/h15-19H,6-14H2,1-5H3/t15?,16-,17-,18-,19+,23-,24+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis 3 beta hydroxysteriod dehydrogenase				Bioorg Med Chem Lett 21: 2216-9 (2011) Article DOI: 10.1016/j.bmcl.2011.03.004 BindingDB Entry DOI: 10.7270/Q2Z31ZXD
					More data for this Ligand-Target Pair