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SMILES: [H][C@]12COc3ccccc3[C@]1([H])N1C(=O)CN(CCc3c[nH]c4ccccc34)C(=O)[C@@]1(C)[C@H]2c1ccccc1

InChI Key: InChIKey=IMWCKNUUGSQACZ-CSLKCKJJSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 83827   
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)		BDBM83827
PNG
(MLS002425445 | SMR001371371 | cid_44142818)
Show SMILES [H][C@]12COc3ccccc3[C@]1([H])N1C(=O)CN(CCc3c[nH]c4ccccc34)C(=O)[C@@]1(C)[C@H]2c1ccccc1
Show InChI InChI=1S/C31H29N3O3/c1-31-28(20-9-3-2-4-10-20)24-19-37-26-14-8-6-12-23(26)29(24)34(31)27(35)18-33(30(31)36)16-15-21-17-32-25-13-7-5-11-22(21)25/h2-14,17,24,28-29,32H,15-16,18-19H2,1H3/t24-,28+,29+,31-/m1/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
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