Found 13 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50048908
(CHEMBL415788)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25-,26-,27-,28-,29-,30-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Binding affinity to human NTS1R |
ACS Med Chem Lett 11: 334-339 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00388
BindingDB Entry DOI: 10.7270/Q2348PQN |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50511370
(CHEMBL4538956)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCC#C)C(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C45H73N13O9.3C2HF3O2/c1-7-8-9-10-21-52-44(67)57-43(49)51-23-11-14-30(46)36(60)53-31(15-12-22-50-42(47)48)40(64)58-24-13-16-34(58)38(62)54-32(26-28-17-19-29(59)20-18-28)37(61)56-35(45(4,5)6)39(63)55-33(41(65)66)25-27(2)3;3*3-2(4,5)1(6)7/h1,17-20,27,30-35,59H,8-16,21-26,46H2,2-6H3,(H,53,60)(H,54,62)(H,55,63)(H,56,61)(H,65,66)(H4,47,48,50)(H4,49,51,52,57,67);3*(H,6,7)/t30-,31-,32-,33-,34-,35+;;;/m0.../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK300 from human NTS1R expressed in human HT-29 cells incubated for 2 hrs by scintillation counting method |
ACS Med Chem Lett 11: 334-339 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00388
BindingDB Entry DOI: 10.7270/Q2348PQN |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50511368
(CHEMBL4468313)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(=N)NC(=O)NCCCCC#C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C51H79N17O10.3C2HF3O2/c1-5-6-7-8-23-61-51(78)68-50(57)60-26-11-12-36(62-31(4)69)43(73)63-38(14-10-25-59-49(55)56)45(75)67-41(29-33-17-21-35(71)22-18-33)47(77)66-40(27-30(2)3)46(76)64-37(13-9-24-58-48(53)54)44(74)65-39(42(52)72)28-32-15-19-34(70)20-16-32;3*3-2(4,5)1(6)7/h1,15-22,30,36-41,70-71H,6-14,23-29H2,2-4H3,(H2,52,72)(H,62,69)(H,63,73)(H,64,76)(H,65,74)(H,66,77)(H,67,75)(H4,53,54,58)(H4,55,56,59)(H4,57,60,61,68,78);3*(H,6,7)/t36-,37-,38-,39-,40-,41-;;;/m0.../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-KK200 from human Y4R expressed in CHO cells incubated for 90 mins by microbeta scintillation counting method |
ACS Med Chem Lett 11: 334-339 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00388
BindingDB Entry DOI: 10.7270/Q2348PQN |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50511368
(CHEMBL4468313)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(=N)NC(=O)NCCCCC#C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C51H79N17O10.3C2HF3O2/c1-5-6-7-8-23-61-51(78)68-50(57)60-26-11-12-36(62-31(4)69)43(73)63-38(14-10-25-59-49(55)56)45(75)67-41(29-33-17-21-35(71)22-18-33)47(77)66-40(27-30(2)3)46(76)64-37(13-9-24-58-48(53)54)44(74)65-39(42(52)72)28-32-15-19-34(70)20-16-32;3*3-2(4,5)1(6)7/h1,15-22,30,36-41,70-71H,6-14,23-29H2,2-4H3,(H2,52,72)(H,62,69)(H,63,73)(H,64,76)(H,65,74)(H,66,77)(H,67,75)(H4,53,54,58)(H4,55,56,59)(H4,57,60,61,68,78);3*(H,6,7)/t36-,37-,38-,39-,40-,41-;;;/m0.../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-KK200 from human Y4R expressed in CHO cells incubated for 90 mins by microbeta scintillation counting method |
ACS Med Chem Lett 11: 334-339 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00388
BindingDB Entry DOI: 10.7270/Q2348PQN |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50511370
(CHEMBL4538956)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCC#C)C(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C45H73N13O9.3C2HF3O2/c1-7-8-9-10-21-52-44(67)57-43(49)51-23-11-14-30(46)36(60)53-31(15-12-22-50-42(47)48)40(64)58-24-13-16-34(58)38(62)54-32(26-28-17-19-29(59)20-18-28)37(61)56-35(45(4,5)6)39(63)55-33(41(65)66)25-27(2)3;3*3-2(4,5)1(6)7/h1,17-20,27,30-35,59H,8-16,21-26,46H2,2-6H3,(H,53,60)(H,54,62)(H,55,63)(H,56,61)(H,65,66)(H4,47,48,50)(H4,49,51,52,57,67);3*(H,6,7)/t30-,31-,32-,33-,34-,35+;;;/m0.../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK300 from human NTS1R expressed in human HT-29 cells incubated for 2 hrs by scintillation counting method |
ACS Med Chem Lett 11: 334-339 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00388
BindingDB Entry DOI: 10.7270/Q2348PQN |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50511367
(CHEMBL4533793)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)NC(=O)NCCCCC#C)NC(=O)[C@@H](N)CCCNC(N)=N)C(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C45H73N13O9.3C2HF3O2/c1-7-8-9-10-21-52-44(67)57-43(49)51-23-12-15-31(53-36(60)30(46)14-11-22-50-42(47)48)40(64)58-24-13-16-34(58)38(62)54-32(26-28-17-19-29(59)20-18-28)37(61)56-35(45(4,5)6)39(63)55-33(41(65)66)25-27(2)3;3*3-2(4,5)1(6)7/h1,17-20,27,30-35,59H,8-16,21-26,46H2,2-6H3,(H,53,60)(H,54,62)(H,55,63)(H,56,61)(H,65,66)(H4,47,48,50)(H4,49,51,52,57,67);3*(H,6,7)/t30-,31-,32-,33-,34-,35+;;;/m0.../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK300 from human NTS1R expressed in human HT-29 cells incubated for 2 hrs by scintillation counting method |
ACS Med Chem Lett 11: 334-339 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00388
BindingDB Entry DOI: 10.7270/Q2348PQN |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50511371
(CHEMBL4438773)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(=N)NC(=O)NCCCCC#C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C |r| Show InChI InChI=1S/C46H75N13O9.3C2HF3O2/c1-8-9-10-11-22-53-45(68)58-44(49)52-24-13-16-32(54-37(61)31(50-7)15-12-23-51-43(47)48)41(65)59-25-14-17-35(59)39(63)55-33(27-29-18-20-30(60)21-19-29)38(62)57-36(46(4,5)6)40(64)56-34(42(66)67)26-28(2)3;3*3-2(4,5)1(6)7/h1,18-21,28,31-36,50,60H,9-17,22-27H2,2-7H3,(H,54,61)(H,55,63)(H,56,64)(H,57,62)(H,66,67)(H4,47,48,51)(H4,49,52,53,58,68);3*(H,6,7)/t31-,32-,33-,34-,35-,36+;;;/m0.../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK300 from human NTS1R expressed in human HT-29 cells incubated for 2 hrs by scintillation counting method |
ACS Med Chem Lett 11: 334-339 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00388
BindingDB Entry DOI: 10.7270/Q2348PQN |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50511367
(CHEMBL4533793)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)NC(=O)NCCCCC#C)NC(=O)[C@@H](N)CCCNC(N)=N)C(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C45H73N13O9.3C2HF3O2/c1-7-8-9-10-21-52-44(67)57-43(49)51-23-12-15-31(53-36(60)30(46)14-11-22-50-42(47)48)40(64)58-24-13-16-34(58)38(62)54-32(26-28-17-19-29(59)20-18-28)37(61)56-35(45(4,5)6)39(63)55-33(41(65)66)25-27(2)3;3*3-2(4,5)1(6)7/h1,17-20,27,30-35,59H,8-16,21-26,46H2,2-6H3,(H,53,60)(H,54,62)(H,55,63)(H,56,61)(H,65,66)(H4,47,48,50)(H4,49,51,52,57,67);3*(H,6,7)/t30-,31-,32-,33-,34-,35+;;;/m0.../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 9.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK300 from human NTS1R expressed in human HT-29 cells incubated for 2 hrs by scintillation counting method |
ACS Med Chem Lett 11: 334-339 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00388
BindingDB Entry DOI: 10.7270/Q2348PQN |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50511371
(CHEMBL4438773)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(=N)NC(=O)NCCCCC#C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C |r| Show InChI InChI=1S/C46H75N13O9.3C2HF3O2/c1-8-9-10-11-22-53-45(68)58-44(49)52-24-13-16-32(54-37(61)31(50-7)15-12-23-51-43(47)48)41(65)59-25-14-17-35(59)39(63)55-33(27-29-18-20-30(60)21-19-29)38(62)57-36(46(4,5)6)40(64)56-34(42(66)67)26-28(2)3;3*3-2(4,5)1(6)7/h1,18-21,28,31-36,50,60H,9-17,22-27H2,2-7H3,(H,54,61)(H,55,63)(H,56,64)(H,57,62)(H,66,67)(H4,47,48,51)(H4,49,52,53,58,68);3*(H,6,7)/t31-,32-,33-,34-,35-,36+;;;/m0.../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 9.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK300 from human NTS1R expressed in human HT-29 cells incubated for 2 hrs by scintillation counting method |
ACS Med Chem Lett 11: 334-339 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00388
BindingDB Entry DOI: 10.7270/Q2348PQN |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50511372
(CHEMBL4450693)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)NC(=O)NCCCCc1cn(CCCNC(=O)CCCCCN2\C(=C\C=C\C=C\C3=[N+](C)c4ccc5c(cc(cc5c4C3(C)C)S(O)(=O)=O)S([O-])(=O)=O)C(C)(C)c3c2ccc2c(cc(cc32)S(O)(=O)=O)S(O)(=O)=O)nn1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,c:68| Show InChI InChI=1S/C94H127N23O23S4/c1-55(2)47-72(87(126)107-69(23-17-41-102-89(96)97)85(124)109-71(83(95)122)48-57-28-32-60(119)33-29-57)110-86(125)70(24-18-42-103-90(98)99)108-88(127)73(49-58-30-34-61(120)35-31-58)111-84(123)68(106-56(3)118)22-19-43-104-91(100)112-92(128)105-40-15-14-21-59-54-116(114-113-59)45-20-44-101-80(121)27-13-10-16-46-117-75-39-37-65-67(51-63(142(132,133)134)53-77(65)144(138,139)140)82(75)94(6,7)79(117)26-12-9-11-25-78-93(4,5)81-66-50-62(141(129,130)131)52-76(143(135,136)137)64(66)36-38-74(81)115(78)8/h9,11-12,25-26,28-39,50-55,68-73H,10,13-24,27,40-49H2,1-8H3,(H26-,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,138,139,140)/t68-,69-,70-,71-,72-,73-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-KK200 from human Y4R expressed in CHO cells incubated for 90 mins by microbeta scintillation counting method |
ACS Med Chem Lett 11: 334-339 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00388
BindingDB Entry DOI: 10.7270/Q2348PQN |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50511372
(CHEMBL4450693)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)NC(=O)NCCCCc1cn(CCCNC(=O)CCCCCN2\C(=C\C=C\C=C\C3=[N+](C)c4ccc5c(cc(cc5c4C3(C)C)S(O)(=O)=O)S([O-])(=O)=O)C(C)(C)c3c2ccc2c(cc(cc32)S(O)(=O)=O)S(O)(=O)=O)nn1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,c:68| Show InChI InChI=1S/C94H127N23O23S4/c1-55(2)47-72(87(126)107-69(23-17-41-102-89(96)97)85(124)109-71(83(95)122)48-57-28-32-60(119)33-29-57)110-86(125)70(24-18-42-103-90(98)99)108-88(127)73(49-58-30-34-61(120)35-31-58)111-84(123)68(106-56(3)118)22-19-43-104-91(100)112-92(128)105-40-15-14-21-59-54-116(114-113-59)45-20-44-101-80(121)27-13-10-16-46-117-75-39-37-65-67(51-63(142(132,133)134)53-77(65)144(138,139)140)82(75)94(6,7)79(117)26-12-9-11-25-78-93(4,5)81-66-50-62(141(129,130)131)52-76(143(135,136)137)64(66)36-38-74(81)115(78)8/h9,11-12,25-26,28-39,50-55,68-73H,10,13-24,27,40-49H2,1-8H3,(H26-,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,138,139,140)/t68-,69-,70-,71-,72-,73-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-KK200 from human Y4R expressed in CHO cells incubated for 90 mins by microbeta scintillation counting method |
ACS Med Chem Lett 11: 334-339 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00388
BindingDB Entry DOI: 10.7270/Q2348PQN |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50511369
(CHEMBL4436580)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCc1cn(CCCNC(=O)CCCCCN2\C(=C\C=C\C=C\C3=[N+](C)c4ccc5c(cc(cc5c4C3(C)C)S(O)(=O)=O)S([O-])(=O)=O)C(C)(C)c3c2ccc2c(cc(cc32)S(O)(=O)=O)S(O)(=O)=O)nn1)C(C)(C)C)C(O)=O |r,c:81| Show InChI InChI=1S/C88H121N19O22S4/c1-52(2)45-65(82(115)116)99-80(113)76(86(3,4)5)100-78(111)64(46-53-30-32-55(108)33-31-53)98-79(112)68-26-21-44-107(68)81(114)63(25-20-39-94-83(90)91)97-77(110)62(89)24-19-40-95-84(92)101-85(117)96-38-17-16-23-54-51-105(103-102-54)42-22-41-93-73(109)29-15-12-18-43-106-67-37-35-59-61(48-57(131(121,122)123)50-70(59)133(127,128)129)75(67)88(8,9)72(106)28-14-11-13-27-71-87(6,7)74-60-47-56(130(118,119)120)49-69(132(124,125)126)58(60)34-36-66(74)104(71)10/h11,13-14,27-28,30-37,47-52,62-65,68,76H,12,15-26,29,38-46,89H2,1-10H3,(H18-,90,91,92,93,94,95,96,97,98,99,100,101,108,109,110,111,112,113,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129)/t62-,63-,64-,65-,68-,76+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK300 from human NTS1R expressed in human HT-29 cells incubated for 2 hrs by scintillation counting method |
ACS Med Chem Lett 11: 334-339 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00388
BindingDB Entry DOI: 10.7270/Q2348PQN |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50511369
(CHEMBL4436580)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCc1cn(CCCNC(=O)CCCCCN2\C(=C\C=C\C=C\C3=[N+](C)c4ccc5c(cc(cc5c4C3(C)C)S(O)(=O)=O)S([O-])(=O)=O)C(C)(C)c3c2ccc2c(cc(cc32)S(O)(=O)=O)S(O)(=O)=O)nn1)C(C)(C)C)C(O)=O |r,c:81| Show InChI InChI=1S/C88H121N19O22S4/c1-52(2)45-65(82(115)116)99-80(113)76(86(3,4)5)100-78(111)64(46-53-30-32-55(108)33-31-53)98-79(112)68-26-21-44-107(68)81(114)63(25-20-39-94-83(90)91)97-77(110)62(89)24-19-40-95-84(92)101-85(117)96-38-17-16-23-54-51-105(103-102-54)42-22-41-93-73(109)29-15-12-18-43-106-67-37-35-59-61(48-57(131(121,122)123)50-70(59)133(127,128)129)75(67)88(8,9)72(106)28-14-11-13-27-71-87(6,7)74-60-47-56(130(118,119)120)49-69(132(124,125)126)58(60)34-36-66(74)104(71)10/h11,13-14,27-28,30-37,47-52,62-65,68,76H,12,15-26,29,38-46,89H2,1-10H3,(H18-,90,91,92,93,94,95,96,97,98,99,100,101,108,109,110,111,112,113,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129)/t62-,63-,64-,65-,68-,76+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK300 from human NTS1R expressed in human HT-29 cells incubated for 2 hrs by scintillation counting method |
ACS Med Chem Lett 11: 334-339 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00388
BindingDB Entry DOI: 10.7270/Q2348PQN |
More data for this
Ligand-Target Pair | |
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