BDBM50368414 CHEMBL1790867::CHEMBL3349478

SMILES: [H][C@@](O)(CN1CCCC1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)OC)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c(I)cc(O)cc1I)NC(=O)OC(C)(C)C

InChI Key: InChIKey=PPXUTBXNPYFTJE-TUOUGKRSSA-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 = 50368414   

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)	BDBM50368414 (CHEMBL1790867 | CHEMBL3349478) Show SMILES [H][C@@](O)(CN1CCCC1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)OC)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c(I)cc(O)cc1I)NC(=O)OC(C)(C)C Show InChI InChI=1S/C45H65I2N7O11/c1-9-25(4)38(42(61)52-37(24(2)3)43(62)64-8)53-41(60)34-16-13-17-54(34)23-35(56)31(18-26-14-11-10-12-15-26)49-40(59)33(22-36(48)57)50-39(58)32(51-44(63)65-45(5,6)7)21-28-29(46)19-27(55)20-30(28)47/h10-12,14-15,19-20,24-25,31-35,37-38,55-56H,9,13,16-18,21-23H2,1-8H3,(H2,48,57)(H,49,59)(H,50,58)(H,51,63)(H,52,61)(H,53,60)/t25-,31+,32+,33+,34?,35-,37+,38+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	131	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Binding affinity to HIV protease				J Med Chem 35: 3803-12 (1992) BindingDB Entry DOI: 10.7270/Q2348M0D
					More data for this Ligand-Target Pair