BDBM50146643 CHEMBL94384::N*1*-{(1S,2R)-3-[(3H-Benzo[1,2,5]oxadiazole-1-sulfonyl)-isobutyl-amino]-1-benzyl-2-hydroxy-propyl}-2-[((S)-quinoline-2-carbonyl)-amino]-succinamide

SMILES: CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)S(=O)(=O)N1ONc2ccccc12

InChI Key: InChIKey=YVSHLJNQUPFXTP-GSBZAIBZSA-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 = 50146643   

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)	BDBM50146643 (CHEMBL94384 | N*1*-{(1S,2R)-3-[(3H-Benzo[1,2,5]oxa...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)S(=O)(=O)N1ONc2ccccc12 Show InChI InChI=1S/C34H39N7O7S/c1-22(2)20-40(49(46,47)41-30-15-9-8-14-26(30)39-48-41)21-31(42)28(18-23-10-4-3-5-11-23)37-34(45)29(19-32(35)43)38-33(44)27-17-16-24-12-6-7-13-25(24)36-27/h3-17,22,28-29,31,39,42H,18-21H2,1-2H3,(H2,35,43)(H,37,45)(H,38,44)/t28-,29-,31+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity of the compound against HIV-I protease was determined				J Med Chem 47: 2768-75 (2004) Article DOI: 10.1021/jm030543u BindingDB Entry DOI: 10.7270/Q2319VB4
					More data for this Ligand-Target Pair