BDBM50191465 CHEMBL386205::methyl (2S)-2-[(2R)-2-[(2S)-2-[4-({7-[3-({1-[({1-[2-(tert-butoxy)-2-oxoethyl]-6-methyl-2-oxo-1,2-dihydropyridin-3-yl}carbamoyl)methyl]-6-methyl-2-oxo-1,2-dihydropyridin-3-yl}carbamoyl)propoxy]naphthalen-2-yl}oxy)butanamido]-3-methylbutanamido]-4-methylpentanamido]-3-methylbutanoate

SMILES: COC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)Nc3ccc(C)n(CC(=O)Nc4ccc(C)n(CC(=O)OC(C)(C)C)c4=O)c3=O)cc2c1)C(C)C)C(C)C

InChI Key: InChIKey=CXXYGHFEVXZUNL-FMFUSDIYSA-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 = 50191465   

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)	BDBM50191465 (CHEMBL386205 | methyl (2S)-2-[(2R)-2-[(2S)-2-[4-({...) Show SMILES COC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)Nc3ccc(C)n(CC(=O)Nc4ccc(C)n(CC(=O)OC(C)(C)C)c4=O)c3=O)cc2c1)C(C)C)C(C)C Show InChI InChI=1S/C55H75N7O13/c1-32(2)27-43(50(67)60-49(34(5)6)54(71)72-12)58-51(68)48(33(3)4)59-45(64)16-14-26-74-40-22-20-37-19-21-39(28-38(37)29-40)73-25-13-15-44(63)56-41-23-17-35(7)61(52(41)69)30-46(65)57-42-24-18-36(8)62(53(42)70)31-47(66)75-55(9,10)11/h17-24,28-29,32-34,43,48-49H,13-16,25-27,30-31H2,1-12H3,(H,56,63)(H,57,65)(H,58,68)(H,59,64)(H,60,67)/t43-,48+,49+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud XI Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease				J Med Chem 49: 4657-64 (2006) Article DOI: 10.1021/jm060576k BindingDB Entry DOI: 10.7270/Q2KD1XJR
					More data for this Ligand-Target Pair