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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 = 'BDBM50366301'   
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)		BDBM50366301
PNG
(CHEMBL1790469)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C40H51F15N6O8/c1-5-20(4)27(30(65)58-25(32(67)68)17-19(2)3)60-28(63)24(18-21-11-13-22(62)14-12-21)57-29(64)26-10-8-16-61(26)31(66)23(9-6-7-15-56)59-33(69)34(41,42)35(43,44)36(45,46)37(47,48)38(49,50)39(51,52)40(53,54)55/h11-14,19-20,23-27,62H,5-10,15-18,56H2,1-4H3,(H,57,64)(H,58,65)(H,59,69)(H,60,63)(H,67,68)/t20-,23+,24+,25+,26+,27+/m1/s1
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Similars
Article
 2.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against rat neurotensin receptor.

Bioorg Med Chem Lett 3: 2055-2060 (1993)


Article DOI: 10.1016/S0960-894X(01)81014-3
BindingDB Entry DOI: 10.7270/Q2M045XW
More data for this
Ligand-Target Pair