BDBM50286689 (S)-N*1*-[(1R,2R)-3-(2-tert-Butylcarbamoyl-phenyl)-2-hydroxy-1-phenylsulfanylmethyl-propyl]-2-[(quinoline-2-carbonyl)-amino]-succinamide::CHEMBL163045

SMILES: CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1

InChI Key: InChIKey=NPNNKZRRHUMCAJ-OIFRRMEBSA-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 = 50286689   

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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50286689 ((S)-N*1*-[(1R,2R)-3-(2-tert-Butylcarbamoyl-phenyl)...) Show SMILES CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C35H39N5O5S/c1-35(2,3)40-32(43)25-15-9-7-12-23(25)19-30(41)29(21-46-24-13-5-4-6-14-24)39-34(45)28(20-31(36)42)38-33(44)27-18-17-22-11-8-10-16-26(22)37-27/h4-18,28-30,41H,19-21H2,1-3H3,(H2,36,42)(H,38,44)(H,39,45)(H,40,43)/t28-,29-,30+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 5: 715-720 (1995) Article DOI: 10.1016/0960-894X(95)00101-X BindingDB Entry DOI: 10.7270/Q2K937HR
					More data for this Ligand-Target Pair