BDBM50340470 (1S,3aS,3bS,9aR,9bS,11aS)-1-((4R,5R)-4,5-diphenyl-4,5-dihydrooxazol-2-yl)-9a,11a-dimethyl-3,3a,3b,4,5,8,9,9a,9b,10,11,11a-dodecahydro-1H-cyclopenta[i]phenanthridin-7(2H)-one::CHEMBL1762027

SMILES: C[C@]12CC[C@H]3[C@@H](CN=C4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C1=N[C@@H]([C@H](O1)c1ccccc1)c1ccccc1

InChI Key: InChIKey=CCLYJYJMKZNPGT-JXAWRAAJSA-N

Data: 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 1 hit for monomerid = 50340470   

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
3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase (Mycobacterium tuberculosis)	BDBM50340470 ((1S,3aS,3bS,9aR,9bS,11aS)-1-((4R,5R)-4,5-diphenyl-...) Show SMILES C[C@]12CC[C@H]3[C@@H](CN=C4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C1=N[C@@H]([C@H](O1)c1ccccc1)c1ccccc1 |r,t:7,24| Show InChI InChI=1S/C33H38N2O2/c1-32-18-16-26-24(20-34-28-19-23(36)15-17-33(26,28)2)25(32)13-14-27(32)31-35-29(21-9-5-3-6-10-21)30(37-31)22-11-7-4-8-12-22/h3-12,24-27,29-30H,13-20H2,1-2H3/t24-,25-,26-,27+,29+,30+,32-,33+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.00E+3	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