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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transporter' and Ligand = 'BDBM50099293'   
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
Transporter


(Rattus norvegicus)		BDBM50099293
PNG
(3N-{4-[4-(4-chlorophenyl)-1-methyl-(3R,4S)-hexahyd...)
Show SMILES CN1CC[C@@H]([C@H](C1)C(=O)NCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H40Cl2N4O2/c1-35-17-13-25(21-5-9-23(31)10-6-21)27(19-35)29(37)33-15-3-4-16-34-30(38)28-20-36(2)18-14-26(28)22-7-11-24(32)12-8-22/h5-12,25-28H,3-4,13-20H2,1-2H3,(H,33,37)(H,34,38)/t25-,26-,27+,28+/m1/s1
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PC cid
PC sid
UniChem

Similars
PubMed
 104n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit high affinity uptake of norepinephrine transporter into the nerve endings of rat synaptosomes using [3H]NE as a radioligand

J Med Chem 44: 1615-22 (2001)


BindingDB Entry DOI: 10.7270/Q2513ZXB
More data for this
Ligand-Target Pair