BDBM12207 (2S)-N-[(2S,3R)-4-[(4-ethenylbenzene)(2-methylpropyl)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-{3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl}butanamide::benzenesulfonamide analog 17

SMILES: CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(C=C)cc1

InChI Key: InChIKey=SJTROPKIQZVOHY-DSPMFFIESA-N

Data: 1 IC50

PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 = 12207   

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
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM12207 ((2S)-N-[(2S,3R)-4-[(4-ethenylbenzene)(2-methylprop...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(C=C)cc1 |r| Show InChI InChI=1S/C35H47N5O5S2/c1-7-27-13-15-30(16-14-27)47(44,45)39(20-24(2)3)22-32(41)31(19-28-11-9-8-10-12-28)37-34(42)33(25(4)5)40-18-17-38(35(40)43)21-29-23-46-26(6)36-29/h7-16,23-25,31-33,41H,1,17-22H2,2-6H3,(H,37,42)/t31-,32+,33-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	4.5	30
Abbott Laboratories					Assay Description HIV-1 protease inhibition was measured by a fluorescence assay using recombinant HIV-1 protease. The reactions were initiated by the addition of 1 nM...				Bioorg Med Chem Lett 15: 2275-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.008 BindingDB Entry DOI: 10.7270/Q2SQ8XNQ
					More data for this Ligand-Target Pair