BDBM50483622 CHEMBL1761681

SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@]12NC(=O)[C@]3(O)C4C5C(C14)C1CC5C3C21

InChI Key: InChIKey=ZNRTXPPHWVQQNY-PUVOJDSPSA-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 = 50483622   

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
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50483622 (CHEMBL1761681) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@]12NC(=O)[C@]3(O)C4C5C(C14)C1CC5C3C21 |r,THB:26:27:34.33:31,29:28:34.33:31| Show InChI InChI=1S/C24H35N5O6/c1-4-7(2)18(27-20(32)11(25)6-30)21(33)26-8(3)19(31)28-24-15-10-5-9-12-13(10)17(24)16(12)23(35,14(9)15)22(34)29-24/h7-18,30,35H,4-6,25H2,1-3H3,(H,26,33)(H,27,32)(H,28,31)(H,29,34)/t7-,8-,9?,10?,11-,12?,13?,14?,15?,16?,17?,18-,23+,24+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of HIV1 subtype C protease expressed in Escherichia coli BL21 assessed as hydrolysis of substrate using chromogenic substrate Lys-Ala-Arg-...				Bioorg Med Chem Lett 21: 2274-7 (2011) Article DOI: 10.1016/j.bmcl.2011.02.105 BindingDB Entry DOI: 10.7270/Q2QZ2DST
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