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SMILES: CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cccc2cc[nH]c12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C

InChI Key: InChIKey=ATSPSFUHQKFBTB-DOUURKCASA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50276350   
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
Neurotensin receptor type 1


(Homo sapiens (Human))		BDBM50276350
PNG
(((N-methyl-Arg)-Lys-Pro-(L-neo-Trp)-(tert-Leu)-Leu...)
Show SMILES CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cccc2cc[nH]c12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C |r,wU:43.45,13.12,wD:29.29,2.1,47.49,25.26,(-8.1,-23.03,;-6.77,-22.26,;-5.43,-23.03,;-5.43,-24.57,;-6.77,-25.34,;-6.77,-26.88,;-8.1,-27.65,;-8.1,-29.19,;-9.43,-29.96,;-6.77,-29.96,;-4.1,-22.26,;-4.1,-20.72,;-2.77,-23.03,;-1.43,-22.26,;-1.43,-20.72,;-2.77,-19.95,;-2.77,-18.41,;-4.1,-17.64,;-4.1,-16.1,;-.1,-23.03,;1.24,-22.26,;-.1,-24.57,;-1.34,-25.48,;-.86,-26.95,;.68,-26.95,;1.16,-25.48,;2.62,-25,;2.94,-23.5,;3.77,-26.03,;5.3,-26.01,;6.1,-27.33,;5.35,-28.67,;3.81,-28.7,;3.07,-30.04,;3.86,-31.36,;5.42,-31.33,;6.47,-32.44,;7.86,-31.79,;7.66,-30.26,;6.15,-29.98,;6.05,-24.66,;5.26,-23.34,;7.59,-24.63,;8.33,-23.28,;9.87,-23.26,;10.67,-24.58,;10.62,-21.91,;12.16,-21.88,;12.95,-23.2,;14.49,-23.17,;15.29,-24.49,;15.24,-21.82,;12.91,-20.53,;12.11,-19.21,;14.45,-20.51,;7.54,-21.96,;6.81,-20.59,;6.2,-22.72,;8.89,-21.22,)|
Show InChI InChI=1S/C41H67N11O7/c1-24(2)22-30(39(58)59)50-37(56)33(41(3,4)5)51-35(54)29(23-26-13-9-12-25-17-20-46-32(25)26)49-36(55)31-16-11-21-52(31)38(57)28(14-7-8-18-42)48-34(53)27(45-6)15-10-19-47-40(43)44/h9,12-13,17,20,24,27-31,33,45-46H,7-8,10-11,14-16,18-19,21-23,42H2,1-6H3,(H,48,53)(H,49,55)(H,50,56)(H,51,54)(H,58,59)(H4,43,44,47)/t27-,28-,29-,30-,31-,33+/m0/s1
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Similars
Article
PubMed
n/an/an/a 1.55n/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant NTS1 in HEK293T cells by competitive binding assay

J Med Chem 52: 1514-7 (2009)


Article DOI: 10.1021/jm801481y
BindingDB Entry DOI: 10.7270/Q2M908JS
More data for this
Ligand-Target Pair