BDBM50046423 1N-[1-benzyl-2,3-dihydroxy-4-[2-methyl-1-methyl(2-pyridylmethyl)aminosulfomoyl-(1R)-propylcarboxamido]-5-phenyl-(1S,2R,3S,4S)-pentyl]-3-methyl-2-methyl(2-pyridylmethyl)aminosulfomoyl-(2S)-butanamide::CHEMBL320243

SMILES: CC(C)[C@H](NS(=O)(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NS(=O)(=O)N(C)Cc1ccccn1)C(C)C

InChI Key: InChIKey=BFOOFWVAELCGMN-JIBQIMBESA-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 = 50046423   

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)	BDBM50046423 (1N-[1-benzyl-2,3-dihydroxy-4-[2-methyl-1-methyl(2-...) Show SMILES CC(C)[C@H](NS(=O)(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NS(=O)(=O)N(C)Cc1ccccn1)C(C)C Show InChI InChI=1S/C42H58N8O8S2/c1-29(2)37(47-59(55,56)49(5)27-33-21-13-15-23-43-33)41(53)45-35(25-31-17-9-7-10-18-31)39(51)40(52)36(26-32-19-11-8-12-20-32)46-42(54)38(30(3)4)48-60(57,58)50(6)28-34-22-14-16-24-44-34/h7-24,29-30,35-40,47-48,51-52H,25-28H2,1-6H3,(H,45,53)(H,46,54)/t35-,36-,37-,38+,39+,40-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of purified recombinant HIV-1 protease in a fluorogenic assay				J Med Chem 36: 320-30 (1993) BindingDB Entry DOI: 10.7270/Q25B01J6
					More data for this Ligand-Target Pair