BDBM50407473 CHEMBL3137919

SMILES: [H][C@]12O[C@]11CC[C@@]3([H])[C@]4([H])CC[C@H](OC(C)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC(C2=O)S(C)(=O)=O

InChI Key: InChIKey=GCWPVJGTBSGAHN-KHTZXAGISA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50407473   

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
Human immunodeficiency virus type 1 Tat protein (Human immunodeficiency virus type 1 (isolate PCV12...)	BDBM50407473 (CHEMBL3137919) Show SMILES [H][C@]12O[C@]11CC[C@@]3([H])[C@]4([H])CC[C@H](OC(C)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC(C2=O)S(C)(=O)=O Show InChI InChI=1S/C22H32O6S/c1-12(23)27-17-6-5-14-13-7-10-22-19(28-22)18(24)16(29(4,25)26)11-21(22,3)15(13)8-9-20(14,17)2/h13-17,19H,5-11H2,1-4H3/t13-,14-,15-,16?,17-,19+,20-,21+,22+/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaecuticals Research Division Curated by ChEMBL					Assay Description The compound was tested for inhibition of HIV-1 replication in SW480 cells using HIV tat assay				J Med Chem 38: 3197-206 (1995) BindingDB Entry DOI: 10.7270/Q27D2WBX
					More data for this Ligand-Target Pair