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BDBM50431422 CHEMBL2348054

SMILES: CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key: InChIKey=JXICEMLADHLJML-XIJWKTHWSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50431422   
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
Ribonucleoside-diphosphate reductase subunit alpha


(Mycobacterium tuberculosis)		BDBM50431422
PNG
(CHEMBL2348054)
Show SMILES CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C43H50N8O19/c1-20(52)45-25(11-12-32(53)54)37(63)47-27(15-33(55)56)40(66)50-29(17-35(59)60)41(67)49-28(16-34(57)58)39(65)46-26(14-22-19-44-24-10-6-5-9-23(22)24)38(64)48-30(18-36(61)62)42(68)51-31(43(69)70)13-21-7-3-2-4-8-21/h2-10,19,25-31,44H,11-18H2,1H3,(H,45,52)(H,46,65)(H,47,63)(H,48,64)(H,49,67)(H,50,66)(H,51,68)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,69,70)/t25-,26-,27-,28-,29-,30-,31-/m0/s1
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 8.30E+3n/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of Dansyl-Gly-Ser-Gly-Glu-Asp-Asp-Asp-Trp-Asp-Phe from C-terminal R1 subunit of Mycobacterium tuberculosis ribonucleotide reductase by f...

Bioorg Med Chem 21: 1992-2000 (2013)


Article DOI: 10.1016/j.bmc.2013.01.020
BindingDB Entry DOI: 10.7270/Q2T43VG6
More data for this
Ligand-Target Pair