BDBM50283732 (S)-1-[(2S,4R)-2-Hydroxy-4-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-5-pyridin-3-yl-pentyl]-4-(quinoline-8-sulfonyl)-piperazine-2-carboxylic acid tert-butylamide::CHEMBL96352

SMILES: CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@@H](O)C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)S(=O)(=O)c1cccc2cccnc12

InChI Key: InChIKey=DYJSVMWNEYFCMD-OQOOGSQVSA-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 = 50283732   

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)	BDBM50283732 ((S)-1-[(2S,4R)-2-Hydroxy-4-((1S,2R)-2-hydroxy-inda...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@@H](O)C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)S(=O)(=O)c1cccc2cccnc12 Show InChI InChI=1S/C38H46N6O6S/c1-38(2,3)42-37(48)31-24-44(51(49,50)33-14-6-11-26-12-8-16-40-34(26)33)18-17-43(31)23-29(45)20-28(19-25-9-7-15-39-22-25)36(47)41-35-30-13-5-4-10-27(30)21-32(35)46/h4-16,22,28-29,31-32,35,45-46H,17-21,23-24H2,1-3H3,(H,41,47)(H,42,48)/t28-,29+,31+,32-,35+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Human Immunodeficiency virus-1 protease				Bioorg Med Chem Lett 4: 2769-2774 (1994) Article DOI: 10.1016/S0960-894X(01)80592-8 BindingDB Entry DOI: 10.7270/Q25B02F8
					More data for this Ligand-Target Pair