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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 = 'BDBM83833'   
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)		BDBM83833
PNG
(MLS002608893 | N-(1-adamantylmethyl)-2-[(1S,12bS)-...)
Show SMILES [H]C12CC3([H])CC([H])(C1)CC(CNC(=O)CC1C[C@H](C(=O)N4CCN(CC4)C(=O)c4ccco4)[C@]4(CC)N(CCc5c4[nH]c4ccc(OC)cc54)C1=O)(C2)C3 |TLB:5:3:53:6.9.8,THB:2:3:9:1.53.8,2:1:9:3.54.5|
Show InChI InChI=1S/C41H51N5O6/c1-3-41-32(38(49)44-10-12-45(13-11-44)39(50)34-5-4-14-52-34)18-28(19-35(47)42-24-40-21-25-15-26(22-40)17-27(16-25)23-40)37(48)46(41)9-8-30-31-20-29(51-2)6-7-33(31)43-36(30)41/h4-7,14,20,25-28,32,43H,3,8-13,15-19,21-24H2,1-2H3,(H,42,47)/t25?,26?,27?,28?,32-,40?,41+/m1/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a>5.96E+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