BDBM50288428 (4R,5S,6S,7R)-1,3-Bis-(2-amino-benzothiazol-5-ylmethyl)-4,7-dibenzyl-5,6-dihydroxy-[1,3]diazepan-2-one::CHEMBL330404

SMILES: Nc1nc2cc(CN3[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4ccc5sc(N)nc5c4)C3=O)ccc2s1

InChI Key: InChIKey=WWTVKGXTVLVNMG-CKROWEISSA-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 = 50288428   

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)	BDBM50288428 ((4R,5S,6S,7R)-1,3-Bis-(2-amino-benzothiazol-5-ylme...) Show SMILES Nc1nc2cc(CN3[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4ccc5sc(N)nc5c4)C3=O)ccc2s1 Show InChI InChI=1S/C35H34N6O3S2/c36-33-38-25-15-23(11-13-29(25)45-33)19-40-27(17-21-7-3-1-4-8-21)31(42)32(43)28(18-22-9-5-2-6-10-22)41(35(40)44)20-24-12-14-30-26(16-24)39-34(37)46-30/h1-16,27-28,31-32,42-43H,17-20H2,(H2,36,38)(H2,37,39)/t27-,28-,31+,32+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity was evaluated against HIV protease				Bioorg Med Chem Lett 6: 2919-2924 (1996) Article DOI: 10.1016/S0960-894X(96)00531-8 BindingDB Entry DOI: 10.7270/Q2QF8SVC
					More data for this Ligand-Target Pair