BDBM647 (2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-N-(1-hydroxy-3-methylpentan-2-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxamide::penicillin deriv. 60

SMILES: [H][C@]1(N[C@@H](C(=O)NC(CO)C(C)CC)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1

InChI Key: InChIKey=BCZIGYZPCOHKSH-QLWOFVCWSA-N

Data: 1 IC50

PDB links: 2 PDB IDs contain 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 = 647   

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)	BDBM647 ((2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido...) Show SMILES [H][C@]1(N[C@@H](C(=O)NC(CO)C(C)CC)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C29H40N4O4S/c1-5-19(2)22(18-34)31-27(37)25-29(3,4)38-28(33-25)24(26(36)30-17-21-14-10-7-11-15-21)32-23(35)16-20-12-8-6-9-13-20/h6-15,19,22,24-25,28,33-34H,5,16-18H2,1-4H3,(H,30,36)(H,31,37)(H,32,35)/t19?,22?,24-,25+,28-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>540	n/a	n/a	n/a	n/a	6.0	37
Glaxo Group Research Ltd.					Assay Description IC50 values were obtained by assaying the enzyme against the synthetic substrate peptide KQGTVSFNFPQIT, which was tritiated at the proline residue, a...				J Med Chem 36: 3129-36 (1993) Article DOI: 10.1021/jm00073a012 BindingDB Entry DOI: 10.7270/Q20P0X6C
					More data for this Ligand-Target Pair