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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neurotensin receptor type 1' and Ligand = 'BDBM50019412'   
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
Neurotensin receptor type 1


(Rattus norvegicus)		BDBM50019412
PNG
(CHEMBL3290096)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)NC1(CCCCC1)C(O)=O |(21.2,-17.42,;21.67,-15.96,;23.18,-15.64,;24.21,-16.78,;25.72,-16.46,;26.19,-15,;25.16,-13.85,;25.64,-12.39,;27.14,-12.07,;23.66,-14.17,;22.32,-12.69,;22.64,-11.18,;21.3,-10.41,;20.16,-11.44,;20.79,-12.85,;19.78,-14.58,;20.55,-15.92,;19.78,-17.25,;18.24,-17.25,;17.47,-15.92,;15.93,-15.92,;15.16,-14.58,;13.62,-14.58,;15.93,-13.25,;17.47,-13.25,;18.24,-14.58,;21.14,-8.88,;22.39,-7.97,;19.74,-8.25,;19.57,-6.72,;21.11,-6.83,;21.97,-5.55,;21.3,-4.17,;19.76,-4.06,;18.9,-5.34,;18.08,-7.16,;17,-6.07,;17.72,-8.64,)|
Show InChI InChI=1S/C28H27ClN4O5/c1-37-23-7-6-8-24(38-2)25(23)22-16-20(26(34)31-28(27(35)36)12-4-3-5-13-28)32-33(22)21-11-14-30-19-15-17(29)9-10-18(19)21/h6-11,14-16H,3-5,12-13H2,1-2H3,(H,31,34)(H,35,36)
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PubMed
 177n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [I125]neurotensin from rat NTS1 overexpressed in CHO-k1 cells by competitive binding Assay

Bioorg Med Chem Lett 25: 2060-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.083
BindingDB Entry DOI: 10.7270/Q2BZ67RD
More data for this
Ligand-Target Pair