BDBM50369798 CHEMBL1794028

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

InChI Key: InChIKey=KNKMTYCNKILWSN-GQJSHCFHSA-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 = 50369798   

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)	BDBM50369798 (CHEMBL1794028) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)C(=O)N[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C42H63N7O7/c1-10-27(8)36(42(56)47-34(25(4)5)37(43)51)49-40(54)33(23-30-19-15-12-16-20-30)45-38(52)32(22-29-17-13-11-14-18-29)46-41(55)35(26(6)7)48-39(53)31(21-24(2)3)44-28(9)50/h11-20,24-27,31-36H,10,21-23H2,1-9H3,(H2,43,51)(H,44,50)(H,45,52)(H,46,55)(H,47,56)(H,48,53)(H,49,54)/t27-,31+,32+,33+,34+,35+,36+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description binding affinity towards HIV-1 Protease enzyme				J Med Chem 43: 1271-81 (2001) BindingDB Entry DOI: 10.7270/Q23779F5
					More data for this Ligand-Target Pair