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Compile Data Set for Download or QSAR

Found 3 hits of kd for UniProtKB: P20789   
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


(Rattus norvegicus)
BDBM50282577
PNG
((S)-2-{(2S,3S)-2-[(S)-2-{[3-(6-Guanidino-hexyl)-7-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1[nH]c2c(OCCCCCNC(N)=N)cccc2c1CCCCCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C43H66N10O7/c1-5-27(4)35(39(56)51-33(41(58)59)24-26(2)3)53-38(55)32(25-28-17-19-29(54)20-18-28)50-40(57)37-31(14-9-6-7-10-21-48-42(44)45)30-15-13-16-34(36(30)52-37)60-23-12-8-11-22-49-43(46)47/h13,15-20,26-27,32-33,35,52,54H,5-12,14,21-25H2,1-4H3,(H,50,57)(H,51,56)(H,53,55)(H,58,59)(H4,44,45,48)(H4,46,47,49)/t27-,32-,33-,35-/m0/s1
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n/an/an/a 300n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant of the compound at cloned rat Neurotensin receptor (NT) receptor expressed in CHO-K1 cells; 0.3-0.7 uM


Bioorg Med Chem Lett 4: 1241-1246 (1994)


Article DOI: 10.1016/S0960-894X(01)80338-3
BindingDB Entry DOI: 10.7270/Q2RJ4JFX
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Rattus norvegicus)
BDBM50282580
PNG
((S)-2-{(2S,3S)-2-[(S)-2-{[3-(6-Guanidino-hexyl)-7-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1[nH]c2c(OCCCCCNC(N)=N)cccc2c1CCCCCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C45H67N11O6/c1-5-28(4)37(41(58)54-35(43(60)61)24-27(2)3)56-40(57)34(25-29-26-52-33-19-11-10-16-30(29)33)53-42(59)39-32(17-9-6-7-12-21-50-44(46)47)31-18-15-20-36(38(31)55-39)62-23-14-8-13-22-51-45(48)49/h10-11,15-16,18-20,26-28,34-35,37,52,55H,5-9,12-14,17,21-25H2,1-4H3,(H,53,59)(H,54,58)(H,56,57)(H,60,61)(H4,46,47,50)(H4,48,49,51)/t28-,34-,35-,37-/m0/s1
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n/an/an/a 300n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant of the compound at cloned rat Neurotensin receptor (NT) receptor expressed in CHO-K1 cells; 0.3-0.7 uM


Bioorg Med Chem Lett 4: 1241-1246 (1994)


Article DOI: 10.1016/S0960-894X(01)80338-3
BindingDB Entry DOI: 10.7270/Q2RJ4JFX
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Rattus norvegicus)
BDBM50282578
PNG
((S)-2-{(2S,3S)-2-[(S)-2-{[3-(6-Amino-hexyl)-7-(5-a...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1[nH]c2c(OCCCCCN)cccc2c1CCCCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C41H62N6O7/c1-5-27(4)35(39(50)45-33(41(52)53)24-26(2)3)47-38(49)32(25-28-17-19-29(48)20-18-28)44-40(51)37-31(14-9-6-7-10-21-42)30-15-13-16-34(36(30)46-37)54-23-12-8-11-22-43/h13,15-20,26-27,32-33,35,46,48H,5-12,14,21-25,42-43H2,1-4H3,(H,44,51)(H,45,50)(H,47,49)(H,52,53)/t27-,32-,33-,35-/m0/s1
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Article
n/an/an/a 300n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant of the compound at cloned rat Neurotensin receptor (NT) receptor expressed in CHO-K1 cells; 0.3-0.7 uM


Bioorg Med Chem Lett 4: 1241-1246 (1994)


Article DOI: 10.1016/S0960-894X(01)80338-3
BindingDB Entry DOI: 10.7270/Q2RJ4JFX
More data for this
Ligand-Target Pair