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SMILES: CC[C@]12[C@@H]3[C@H]([C@H](N1C(=O)N(C2=O)c1cccc(Br)c1)c1ccc(Cl)cc1)C(=O)N(C1CCCCC1)C3=O

InChI Key: InChIKey=DTUOASTXNKBUKY-TZTMDHJLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 83817   
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
Orotidine 5'-phosphate decarboxylase


(Aspergillus niger)		BDBM83817
PNG
((5S,5aR,8aS,8bR)-2-(3-bromophenyl)-5-(4-chlorophen...)
Show SMILES CC[C@]12[C@@H]3[C@H]([C@H](N1C(=O)N(C2=O)c1cccc(Br)c1)c1ccc(Cl)cc1)C(=O)N(C1CCCCC1)C3=O
Show InChI InChI=1S/C28H27BrClN3O4/c1-2-28-22-21(24(34)31(25(22)35)19-8-4-3-5-9-19)23(16-11-13-18(30)14-12-16)33(28)27(37)32(26(28)36)20-10-6-7-17(29)15-20/h6-7,10-15,19,21-23H,2-5,8-9H2,1H3/t21-,22-,23-,28-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
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