BDBM50407652 CHEMBL147904

SMILES: COC(=O)CC[C@H](NC(=O)[C@H](NCc1ccc(OC)cc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1ccc(OC)cc1O

InChI Key: InChIKey=KNDZKXUIQWOZBU-GHCYVWSQSA-N

Data: 1 KI

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 = 50407652   

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 protease (Human immunodeficiency virus type 1)	BDBM50407652 (CHEMBL147904) Show SMILES COC(=O)CC[C@H](NC(=O)[C@H](NCc1ccc(OC)cc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1ccc(OC)cc1O Show InChI InChI=1S/C46H57N5O11/c1-29(2)40(51-46(58)62-28-32-14-10-7-11-15-32)44(56)50-37(24-30-12-8-6-9-13-30)42(54)41(47-26-31-16-19-34(59-3)20-17-31)45(57)49-36(22-23-39(53)61-5)43(55)48-27-33-18-21-35(60-4)25-38(33)52/h6-21,25,29,36-37,40-42,47,52,54H,22-24,26-28H2,1-5H3,(H,48,55)(H,49,57)(H,50,56)(H,51,58)/t36-,37-,40-,41+,42+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	6.03	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SANDOZ Forschungsinstitut Ges. m.b.H Curated by ChEMBL					Assay Description Inhibitory activity was determined against HIV type 1 protease				J Med Chem 38: 4917-28 (1996) BindingDB Entry DOI: 10.7270/Q2FX7BN8
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