BDBM50229341 CHEMBL3350610

SMILES: CC[C@H](C)[C@H](NC(=O)C1CCCN1C[C@H](C)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)OC

InChI Key: InChIKey=ZSIOVNJKQAGRBC-OYQBMTPRSA-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 = 50229341   

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)	BDBM50229341 (CHEMBL3350610) Show SMILES CC[C@H](C)[C@H](NC(=O)C1CCCN1C[C@H](C)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)OC Show InChI InChI=1S/C43H70N8O10/c1-10-26(6)37(42(59)49-36(25(4)5)43(60)61-9)50-41(58)34-17-14-18-51(34)22-27(7)30(20-29-15-12-11-13-16-29)46-39(56)32(21-35(44)54)48-38(55)31(19-24(2)3)47-40(57)33(23-52)45-28(8)53/h11-13,15-16,24-27,30-34,36-37,52H,10,14,17-23H2,1-9H3,(H2,44,54)(H,45,53)(H,46,56)(H,47,57)(H,48,55)(H,49,59)(H,50,58)/t26-,27-,30-,31-,32-,33-,34?,36-,37-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for HIV-1 protease				J Med Chem 34: 2305-14 (1991) BindingDB Entry DOI: 10.7270/Q2862H21
					More data for this Ligand-Target Pair