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Compile Data Set for Download or QSAR

Found 3 hits from Department of Pharmaceutical Sciences, Medical University of South Carolina, Charleston 29425, USA.   
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


(Homo sapiens)
BDBM50086639
PNG
((S)-2-{(2S,3S)-2-[(S)-2-{[(S)-1-((S)-2-Amino-5-gua...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C32H52N8O7/c1-5-19(4)26(29(44)38-24(31(46)47)16-18(2)3)39-27(42)23(17-20-10-12-21(41)13-11-20)37-28(43)25-9-7-15-40(25)30(45)22(33)8-6-14-36-32(34)35/h10-13,18-19,22-26,41H,5-9,14-17,33H2,1-4H3,(H,37,43)(H,38,44)(H,39,42)(H,46,47)(H4,34,35,36)/t19-,22-,23-,24-,25-,26-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
28n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, Medical University of South Carolina, Charleston 29425, USA.

Curated by ChEMBL


Assay Description
Binding ability to compete with [125I]Tyr3-NT (0.15 nM) for human NT receptors cloned in CHO cells.


Bioorg Med Chem Lett 9: 2579-82 (1999)


Article DOI: 10.1016/s0960-894x(99)00420-5
More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens)
BDBM50217111
PNG
(CHEMBL1790704)
Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccc(OCCCCCC(=O)N[C@H](CCCN=C(N)N)C(=O)N3CCC[C@H]3C(=O)N1)cc2)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C38H60N8O8/c1-5-24(4)32(35(50)44-29(37(52)53)21-23(2)3)45-33(48)28-22-25-14-16-26(17-15-25)54-20-8-6-7-13-31(47)42-27(11-9-18-41-38(39)40)36(51)46-19-10-12-30(46)34(49)43-28/h14-17,23-24,27-30,32H,5-13,18-22H2,1-4H3,(H,42,47)(H,43,49)(H,44,50)(H,45,48)(H,52,53)(H4,39,40,41)/t24-,27-,28+,29+,30+,32-/m1/s1
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UniProtKB/SwissProt

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UniChem

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Article
PubMed
450n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, Medical University of South Carolina, Charleston 29425, USA.

Curated by ChEMBL


Assay Description
Binding ability to compete with [125I]Tyr3-NT (0.15 nM) for human NT receptors cloned in CHO cells.


Bioorg Med Chem Lett 9: 2579-82 (1999)


Article DOI: 10.1016/s0960-894x(99)00420-5
More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens)
BDBM50217110
PNG
(CHEMBL1790701)
Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccc(OCCCCCC(=O)N3CCC[C@H]3C(=O)N1)cc2)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C32H48N4O7/c1-5-21(4)28(31(40)34-25(32(41)42)18-20(2)3)35-29(38)24-19-22-12-14-23(15-13-22)43-17-8-6-7-11-27(37)36-16-9-10-26(36)30(39)33-24/h12-15,20-21,24-26,28H,5-11,16-19H2,1-4H3,(H,33,39)(H,34,40)(H,35,38)(H,41,42)/t21-,24+,25+,26+,28-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>2.00E+3n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, Medical University of South Carolina, Charleston 29425, USA.

Curated by ChEMBL


Assay Description
Binding ability to compete with [125I]Tyr3-NT (0.15 nM) for human NT receptors cloned in CHO cells.


Bioorg Med Chem Lett 9: 2579-82 (1999)


Article DOI: 10.1016/s0960-894x(99)00420-5
More data for this
Ligand-Target Pair