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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orotidine 5'-phosphate decarboxylase' and Ligand = 'BDBM83794'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM83794
PNG
(MLS000516284 | N-[(6-amino-1-benzyl-2,4-diketo-pyr...)
Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)NC(=S)N(CCCOC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5|
Show InChI InChI=1S/C27H35N5O4S/c1-36-9-5-8-31(21-22(28)32(25(35)29-23(21)33)16-17-6-3-2-4-7-17)26(37)30-24(34)27-13-18-10-19(14-27)12-20(11-18)15-27/h2-4,6-7,18-20H,5,8-16,28H2,1H3,(H,29,33,35)(H,30,34,37)
UniProtKB/SwissProt

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PC sid
UniChem

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PCBioAssay
n/an/an/an/a>5.97E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair