BDBM50421874 CHEMBL2311105

SMILES: CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(C)=O)C(C)C

InChI Key: InChIKey=OQQFEOFAYDAFJS-LJWNLINESA-N

Data: 2 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 2 hits for monomerid = 50421874   

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)	BDBM50421874 (CHEMBL2311105) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(C)=O)C(C)C Show InChI InChI=1S/C31H44N4O5/c1-19(2)27(32-21(5)36)30(39)34-25(17-23-13-9-7-10-14-23)29(38)26(18-24-15-11-8-12-16-24)35-31(40)28(20(3)4)33-22(6)37/h7-16,19-20,25-29,38H,17-18H2,1-6H3,(H,32,36)(H,33,37)(H,34,39)(H,35,40)/t25-,26-,27-,28-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV-1 protease				J Med Chem 37: 1035-54 (1994) BindingDB Entry DOI: 10.7270/Q26Q1XWX
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50421874 (CHEMBL2311105) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(C)=O)C(C)C Show InChI InChI=1S/C31H44N4O5/c1-19(2)27(32-21(5)36)30(39)34-25(17-23-13-9-7-10-14-23)29(38)26(18-24-15-11-8-12-16-24)35-31(40)28(20(3)4)33-22(6)37/h7-16,19-20,25-29,38H,17-18H2,1-6H3,(H,32,36)(H,33,37)(H,34,39)(H,35,40)/t25-,26-,27-,28-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against recombinant HIV-1 Protease				J Med Chem 33: 2687-9 (1990) BindingDB Entry DOI: 10.7270/Q2W37V89
					More data for this Ligand-Target Pair