BDBM50090147 (S)-4-(3,4-Dichloro-benzyl)-1-[(2S,4R)-2-hydroxy-4-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-piperazine-2-carboxylic acid tert-butylamide::CHEMBL37383

SMILES: CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12

InChI Key: InChIKey=BMVNYJXJBDEZBS-ZGBDUXTNSA-N

Data: 1 IC50

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 = 50090147   

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)	BDBM50090147 ((S)-4-(3,4-Dichloro-benzyl)-1-[(2S,4R)-2-hydroxy-4...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C37H46Cl2N4O4/c1-37(2,3)41-36(47)32-23-42(21-25-13-14-30(38)31(39)18-25)15-16-43(32)22-28(44)19-27(17-24-9-5-4-6-10-24)35(46)40-34-29-12-8-7-11-26(29)20-33(34)45/h4-14,18,27-28,32-34,44-45H,15-17,19-23H2,1-3H3,(H,40,46)(H,41,47)/t27-,28+,32+,33-,34+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound to prevent cleavage of a substrate by the protease enzyme				Bioorg Med Chem Lett 10: 1527-30 (2000) BindingDB Entry DOI: 10.7270/Q2542MTH
					More data for this Ligand-Target Pair