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BDBM624 (2R,4S)-2-[(R)-(ethylcarbamoyl)({[2-(phenylamino)phenyl]formamido})methyl]-N-(2-{[(2R,4S)-2-[(R)-(ethylcarbamoyl)({[2-(phenylamino)phenyl]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. 37

SMILES: [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)c2ccccc2Nc2ccccc2)C(=O)NCC)C(C)(C)S1)[C@H](NC(=O)c1ccccc1Nc1ccccc1)C(=O)NCC

InChI Key: InChIKey=MOGAQQGCGJDNAL-PEPUJIJLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 624   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
HIV-1 Protease


(Human immunodeficiency virus type 1)		BDBM624
PNG
((2R,4S)-2-[(R)-(ethylcarbamoyl)({[2-(phenylamino)p...)
Show SMILES [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)c2ccccc2Nc2ccccc2)C(=O)NCC)C(C)(C)S1)[C@H](NC(=O)c1ccccc1Nc1ccccc1)C(=O)NCC |r|
Show InChI InChI=1S/C48H60N10O6S2/c1-7-49-41(61)35(55-39(59)31-23-15-17-25-33(31)53-29-19-11-9-12-20-29)45-57-37(47(3,4)65-45)43(63)51-27-28-52-44(64)38-48(5,6)66-46(58-38)36(42(62)50-8-2)56-40(60)32-24-16-18-26-34(32)54-30-21-13-10-14-22-30/h9-26,35-38,45-46,53-54,57-58H,7-8,27-28H2,1-6H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,55,59)(H,56,60)/t35-,36-,37+,38+,45-,46-/m1/s1
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MMDB

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PC sid
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Similars
Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/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