BDBM50368889 CHEMBL1790790

SMILES: CC[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCCC[C@@H]1SCC2NC(=O)N[C@H]12)C(=O)NCc1ccccn1

InChI Key: InChIKey=HXCJIRVPODLVIG-ZGBOWPRSSA-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 = 50368889   

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)	BDBM50368889 (CHEMBL1790790) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCCC[C@@H]1SCC2NC(=O)N[C@H]12)C(=O)NCc1ccccn1 Show InChI InChI=1S/C37H60N6O6S/c1-5-23(4)31(36(48)39-20-25-15-11-12-18-38-25)42-35(47)30(22(2)3)34(46)33(45)26(19-24-13-7-6-8-14-24)40-29(44)17-10-9-16-28-32-27(21-50-28)41-37(49)43-32/h11-12,15,18,22-24,26-28,30-34,45-46H,5-10,13-14,16-17,19-21H2,1-4H3,(H,39,48)(H,40,44)(H,42,47)(H2,41,43,49)/t23-,26+,27?,28+,30-,31+,32+,33-,34-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against biotinylated human HIV-1 protease				J Med Chem 37: 293-304 (1994) BindingDB Entry DOI: 10.7270/Q27S7PD1
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