BDBM50091608 1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-4-(6-methyl-furo[3,2-c]pyridin-2-ylmethyl)-piperazine-2-carboxylic acid tert-butylamide::CHEMBL325013

SMILES: Cc1cc2oc(CN3CCN(C[C@@H](O)C[C@@H](Cc4ccccc4)C(=O)NC4[C@H](O)Cc5ccccc45)[C@@H](C3)C(=O)NC(C)(C)C)cc2cn1

InChI Key: InChIKey=AACGEOQWBRCPAI-FOGBGCKRSA-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 = 50091608   

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)	BDBM50091608 (1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-p...) Show SMILES Cc1cc2oc(CN3CCN(C[C@@H](O)C[C@@H](Cc4ccccc4)C(=O)NC4[C@H](O)Cc5ccccc45)[C@@H](C3)C(=O)NC(C)(C)C)cc2cn1 Show InChI InChI=1S/C39H49N5O5/c1-25-16-35-29(21-40-25)19-31(49-35)23-43-14-15-44(33(24-43)38(48)42-39(2,3)4)22-30(45)18-28(17-26-10-6-5-7-11-26)37(47)41-36-32-13-9-8-12-27(32)20-34(36)46/h5-13,16,19,21,28,30,33-34,36,45-46H,14-15,17-18,20,22-24H2,1-4H3,(H,41,47)(H,42,48)/t28-,30+,33+,34-,36?/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV-1 protease in vitro.				J Med Chem 43: 3386-99 (2000) BindingDB Entry DOI: 10.7270/Q23J3DP4
					More data for this Ligand-Target Pair