BDBM50370706 CHEMBL1203922

SMILES: COC(=O)N[C@H](C(=O)NN(Cc1cccc(c1)C#Cc1cccnc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C

InChI Key: InChIKey=SUUURVUXCMHQIE-DIKLSXIISA-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 = 50370706   

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)	BDBM50370706 (CHEMBL1203922) Show SMILES COC(=O)N[C@H](C(=O)NN(Cc1cccc(c1)C#Cc1cccnc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C |r| Show InChI InChI=1S/C41H45N5O6/c1-40(2,3)36(44-39(50)52-4)37(48)45-46(26-31-15-10-14-28(22-31)19-20-30-16-11-21-42-25-30)27-41(51,24-29-12-6-5-7-13-29)38(49)43-35-33-18-9-8-17-32(33)23-34(35)47/h5-18,21-22,25,34-36,47,51H,23-24,26-27H2,1-4H3,(H,43,49)(H,44,50)(H,45,48)/t34-,35+,36-,41+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				J Med Chem 49: 1828-32 (2006) Article DOI: 10.1021/jm051239z BindingDB Entry DOI: 10.7270/Q2PC3357
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