BDBM613 (2R,4S)-2-[(R)-(ethylcarbamoyl)(3-phenylpropanamido)methyl]-N-(2-{[(2R,4S)-2-[(R)-(ethylcarbamoyl)(3-phenylpropanamido)methyl]-5,5-dimethyl-1,3-thiazolidin-4-yl]formamido}ethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxamide::Penicillin Et(NH)2 Sym dimer ::penicillin deriv. 26

SMILES: [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)CCc2ccccc2)C(=O)NCC)C(C)(C)S1)[C@H](NC(=O)CCc1ccccc1)C(=O)NCC

InChI Key: InChIKey=OSVARXBLQYUJJF-GDWNOHHZSA-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 = 613   

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)	BDBM613 ((2R,4S)-2-[(R)-(ethylcarbamoyl)(3-phenylpropanamid...) Show SMILES [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)CCc2ccccc2)C(=O)NCC)C(C)(C)S1)[C@H](NC(=O)CCc1ccccc1)C(=O)NCC |r| Show InChI InChI=1S/C40H58N8O6S2/c1-7-41-33(51)29(45-27(49)21-19-25-15-11-9-12-16-25)37-47-31(39(3,4)55-37)35(53)43-23-24-44-36(54)32-40(5,6)56-38(48-32)30(34(52)42-8-2)46-28(50)22-20-26-17-13-10-14-18-26/h9-18,29-32,37-38,47-48H,7-8,19-24H2,1-6H3,(H,41,51)(H,42,52)(H,43,53)(H,44,54)(H,45,49)(H,46,50)/t29-,30-,31+,32+,37-,38-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	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: 3120-8 (1993) Article DOI: 10.1021/jm00073a011 BindingDB Entry DOI: 10.7270/Q24F1NXP
					More data for this Ligand-Target Pair