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BDBM50022673 (5-(3,4-dichlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl)bis(methylene) bis(isopropylcarbamate)::CHEMBL284134::Isopropyl-carbamic acid 3-(3,4-dichloro-phenyl)-2-isopropylcarbamoyloxymethyl-2,5,6,7-tetrahydro-pyrrolizin-1-ylmethyl ester::Isopropyl-carbamic acid 3-(3,4-dichloro-phenyl)-2-isopropylcarbamoyloxymethyl-6,7-dihydro-5H-pyrrolizin-1-ylmethyl ester::NSC-278214

SMILES: CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc(Cl)c(Cl)c2)n2CCCc12

InChI Key: InChIKey=CCBHSPUYWZHDFX-UHFFFAOYSA-N

Data: 1 IC50

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Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50022673   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50022673
PNG
((5-(3,4-dichlorophenyl)-2,3-dihydro-1H-pyrrolizine...)
Show SMILES CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc(Cl)c(Cl)c2)n2CCCc12
Show InChI InChI=1S/C23H29Cl2N3O4/c1-13(2)26-22(29)31-11-16-17(12-32-23(30)27-14(3)4)21(28-9-5-6-20(16)28)15-7-8-18(24)19(25)10-15/h7-8,10,13-14H,5-6,9,11-12H2,1-4H3,(H,26,29)(H,27,30)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



University of Leicester

Curated by ChEMBL


Assay Description
Inhibitory concentration against cytochrome P450 2D6

J Med Chem 47: 5340-6 (2004)


Article DOI: 10.1021/jm049934e
BindingDB Entry DOI: 10.7270/Q2R49RJH
More data for this
Ligand-Target Pair