BDBM630 (2R,4S)-2-[(R)-({[4-(dimethylamino)phenyl]methyl}carbamoyl)[(2-phenylphenyl)formamido]methyl]-N-(2-{[(2R,4S)-2-[(R)-({[4-(dimethylamino)phenyl]methyl}carbamoyl)[(2-phenylphenyl)formamido]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. 43

SMILES: [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)c2ccccc2-c2ccccc2)C(=O)NCc2ccc(cc2)N(C)C)C(C)(C)S1)[C@H](NC(=O)c1ccccc1-c1ccccc1)C(=O)NCc1ccc(cc1)N(C)C

InChI Key: InChIKey=KCAIPQHHQNOLSV-SYQKYBDCSA-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 = 630   

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)	BDBM630 ((2R,4S)-2-[(R)-({[4-(dimethylamino)phenyl]methyl}c...) Show SMILES [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)c2ccccc2-c2ccccc2)C(=O)NCc2ccc(cc2)N(C)C)C(C)(C)S1)[C@H](NC(=O)c1ccccc1-c1ccccc1)C(=O)NCc1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C62H72N10O6S2/c1-61(2)51(69-59(79-61)49(55(75)65-37-39-27-31-43(32-28-39)71(5)6)67-53(73)47-25-17-15-23-45(47)41-19-11-9-12-20-41)57(77)63-35-36-64-58(78)52-62(3,4)80-60(70-52)50(56(76)66-38-40-29-33-44(34-30-40)72(7)8)68-54(74)48-26-18-16-24-46(48)42-21-13-10-14-22-42/h9-34,49-52,59-60,69-70H,35-38H2,1-8H3,(H,63,77)(H,64,78)(H,65,75)(H,66,76)(H,67,73)(H,68,74)/t49-,50-,51+,52+,59-,60-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
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