BDBM661 (3R,4R)-4-{[(2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-5,5-dimethyl-1,3-thiazolidin-4-yl]formamido}-3-hydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-phenylpentanamide::penicillin deriv. 74

SMILES: [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@H](O)CC(=O)N[C@@H](CO)Cc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1

InChI Key: InChIKey=KFGIHCFGDLBYGM-IQZCXPHWSA-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 = 661   

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)	BDBM661 ((3R,4R)-4-{[(2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phe...) Show SMILES [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@H](O)CC(=O)N[C@@H](CO)Cc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C43H51N5O6S/c1-43(2)39(48-42(55-43)38(40(53)44-27-32-21-13-6-14-22-32)47-36(51)25-31-19-11-5-12-20-31)41(54)46-34(24-30-17-9-4-10-18-30)35(50)26-37(52)45-33(28-49)23-29-15-7-3-8-16-29/h3-22,33-35,38-39,42,48-50H,23-28H2,1-2H3,(H,44,53)(H,45,52)(H,46,54)(H,47,51)/t33-,34-,35-,38-,39+,42-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	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