BDBM9943 (8S)-8-butyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-diene-5,14-dione::6-Alkyl 1,4-Diene Steroid 3d

SMILES: CCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12

InChI Key: InChIKey=TYNLGMGANHYOFS-VPQTXNHLSA-N

Data: 1 KI  1 IC50

PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 = 9943   

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
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM9943 ((8S)-8-butyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}...) Show SMILES CCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:21,t:25| Show InChI InChI=1S/C23H32O2/c1-4-5-6-15-13-17-18-7-8-21(25)23(18,3)12-10-19(17)22(2)11-9-16(24)14-20(15)22/h9,11,14-15,17-19H,4-8,10,12-13H2,1-3H3/t15-,17?,18?,19?,22?,23?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	16	-11.1	200	n/a	n/a	n/a	n/a	7.5	37
Tohoku College of Pharmacy					Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...				J Med Chem 39: 1033-8 (1996) Article DOI: 10.1021/jm950720u BindingDB Entry DOI: 10.7270/Q21V5C6P
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