BDBM50039288 (1S,9aR,11aS)-5,9a,11a-Trimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[i]phenanthridine-1-carboxylic acid benzhydryl-amide::CHEMBL306554

SMILES: CN1CC2C3CC[C@H](C(=O)NC(c4ccccc4)c4ccccc4)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12

InChI Key: InChIKey=ZZTHGPFXLVWJQY-TZSNOKOGSA-N

Data: 1 KI  1 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 = 50039288   

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
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50039288 ((1S,9aR,11aS)-5,9a,11a-Trimethyl-7-oxo-2,3,3a,3b,4...) Show SMILES CN1CC2C3CC[C@H](C(=O)NC(c4ccccc4)c4ccccc4)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12 |t:39| Show InChI InChI=1S/C33H40N2O2/c1-32-19-17-27-25(21-35(3)29-20-24(36)16-18-33(27,29)2)26(32)14-15-28(32)31(37)34-30(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,20,25-28,30H,14-19,21H2,1-3H3,(H,34,37)/t25?,26?,27?,28-,32+,33-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against human type 1 5-alpha reductase				J Med Chem 37: 2352-60 (1994) BindingDB Entry DOI: 10.7270/Q228088W
					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM50039288 ((1S,9aR,11aS)-5,9a,11a-Trimethyl-7-oxo-2,3,3a,3b,4...) Show SMILES CN1CC2C3CC[C@H](C(=O)NC(c4ccccc4)c4ccccc4)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12 |t:39| Show InChI InChI=1S/C33H40N2O2/c1-32-19-17-27-25(21-35(3)29-20-24(36)16-18-33(27,29)2)26(32)14-15-28(32)31(37)34-30(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,20,25-28,30H,14-19,21H2,1-3H3,(H,34,37)/t25?,26?,27?,28-,32+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against human type 2 5-alpha reductase				J Med Chem 37: 2352-60 (1994) BindingDB Entry DOI: 10.7270/Q228088W
					More data for this Ligand-Target Pair