Found 879 hits with Last Name = 'carpenter' and Initial = 'j' 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
| 0.129 | 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 neurotensin receptor 1 expressed in HT-29 cells incubated in dark after 30 mins by liquid scintillation coun... |
ACS Med Chem Lett 11: 16-22 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50538323
(CHEMBL3140030)Show SMILES [H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)C)OC(=O)[C@H](CO)c1ccccc1 |r| Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14+,15-,16+,17-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 0.138 | 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 4-(2-((1E,3E)-5-((E)-3,3-Dimethyl-1-(6-oxo-6-((2-(3-(1-(4-(1-(2-oxo-2-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-5-yl)ethyl)p... |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50538317
(CHEMBL4636083)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 Show InChI InChI=1S/C30H42N6O2/c31-14-18-34-21-19-33(20-22-34)15-6-5-7-24-12-16-35(17-13-24)23-29(37)36-27-10-3-1-8-25(27)30(38)32-26-9-2-4-11-28(26)36/h1-4,8-11,24H,5-7,12-23,31H2,(H,32,38) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.182 | 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]-NMS from human muscarinic M2 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50538315
(CHEMBL4641328)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCc1cc(cc(c1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NCCN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C58H76N12O5/c59-40-43-37-44(55(72)60-22-31-65-27-18-46(19-28-65)68-29-20-47(21-30-68)69-52-14-5-3-12-50(52)63-58(69)75)39-45(38-43)56(73)61-23-32-66-35-33-64(34-36-66)24-8-7-9-42-16-25-67(26-17-42)41-54(71)70-51-13-4-1-10-48(51)57(74)62-49-11-2-6-15-53(49)70/h1-6,10-15,37-39,42,46-47H,7-9,16-36,40-41,59H2,(H,60,72)(H,61,73)(H,62,74)(H,63,75) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.195 | 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]-NMS from human muscarinic M2 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this
Ligand-Target Pair | |
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 neurotensin receptor 1 |
ACS Med Chem Lett 11: 16-22 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50538316
(CHEMBL4643273)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS(O)(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCc2cc(cc(c2)C(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)CC2)C(=O)NCCN2CCC(CC2)N2CCC(CC2)n2c3ccccc3[nH]c2=O)c2ccc(cc12)S([O-])(=O)=O |c:33| Show InChI InChI=1S/C93H118N14O12S2/c1-92(2)75-25-11-15-29-80(75)104(47-21-22-60-120(114,115)116)84(92)32-7-5-8-33-85-93(3,4)76-64-73(121(117,118)119)35-36-81(76)105(85)46-19-6-9-34-86(108)96-65-68-61-69(88(110)94-43-54-100-50-39-71(40-51-100)103-52-41-72(42-53-103)106-82-30-16-13-27-78(82)98-91(106)113)63-70(62-68)89(111)95-44-55-101-58-56-99(57-59-101)45-20-18-23-67-37-48-102(49-38-67)66-87(109)107-79-28-14-10-24-74(79)90(112)97-77-26-12-17-31-83(77)107/h5,7-8,10-17,24-33,35-36,61-64,67,71-72H,6,9,18-23,34,37-60,65-66H2,1-4H3,(H6-,94,95,96,97,98,108,110,111,112,113,114,115,116,117,118,119) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.257 | 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]-NMS from human muscarinic M2 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50538321
(CHEMBL4643159)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCc1cc(cc(c1)C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1)C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1 Show InChI InChI=1S/C73H87N15O8/c74-44-53-41-54(70(93)77-33-31-75-66(89)25-23-56-45-85(49-79-56)35-11-9-13-51-27-37-83(38-28-51)47-68(91)87-62-19-5-1-15-58(62)72(95)81-60-17-3-7-21-64(60)87)43-55(42-53)71(94)78-34-32-76-67(90)26-24-57-46-86(50-80-57)36-12-10-14-52-29-39-84(40-30-52)48-69(92)88-63-20-6-2-16-59(63)73(96)82-61-18-4-8-22-65(61)88/h1-8,15-22,41-43,45-46,49-52H,9-14,23-40,44,47-48,74H2,(H,75,89)(H,76,90)(H,77,93)(H,78,94)(H,81,95)(H,82,96) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.269 | 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]-NMS from human muscarinic M2 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50538324
(CHEMBL4116470)Show SMILES CCC(=O)NCc1cc(cc(c1)C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1)C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1 Show InChI InChI=1S/C76H91N15O9/c1-2-68(92)81-46-55-43-56(73(97)79-35-33-77-69(93)27-25-58-47-88(51-82-58)37-13-11-15-53-29-39-86(40-30-53)49-71(95)90-64-21-7-3-17-60(64)75(99)84-62-19-5-9-23-66(62)90)45-57(44-55)74(98)80-36-34-78-70(94)28-26-59-48-89(52-83-59)38-14-12-16-54-31-41-87(42-32-54)50-72(96)91-65-22-8-4-18-61(65)76(100)85-63-20-6-10-24-67(63)91/h3-10,17-24,43-45,47-48,51-54H,2,11-16,25-42,46,49-50H2,1H3,(H,77,93)(H,78,94)(H,79,97)(H,80,98)(H,81,92)(H,84,99)(H,85,100) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.355 | 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 4-(2-((1E,3E)-5-((E)-3,3-Dimethyl-1-(6-oxo-6-((2-(3-(1-(4-(1-(2-oxo-2-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-5-yl)ethyl)p... |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50538317
(CHEMBL4636083)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 Show InChI InChI=1S/C30H42N6O2/c31-14-18-34-21-19-33(20-22-34)15-6-5-7-24-12-16-35(17-13-24)23-29(37)36-27-10-3-1-8-25(27)30(38)32-26-9-2-4-11-28(26)36/h1-4,8-11,24H,5-7,12-23,31H2,(H,32,38) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.447 | 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]-NMS from human muscarinic M4 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50509512
(CHEMBL4579623)Show SMILES [3H]CC([3H])C(=O)NCCCCNC(=O)NC(=N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C46H78N14O10/c1-6-28(5)37(41(66)57-34(43(68)69)25-27(3)4)58-39(64)33(26-29-16-18-30(61)19-17-29)56-40(65)35-15-12-24-60(35)42(67)32(14-11-22-52-44(48)49)55-38(63)31(47)13-10-23-53-45(50)59-46(70)54-21-9-8-20-51-36(62)7-2/h16-19,27-28,31-35,37,61H,6-15,20-26,47H2,1-5H3,(H,51,62)(H,55,63)(H,56,65)(H,57,66)(H,58,64)(H,68,69)(H4,48,49,52)(H4,50,53,54,59,70)/t28-,31-,32-,33-,34-,35-,37-/m0/s1/i2T,7T/t7?,28-,31-,32-,33-,34-,35-,37- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.510 | 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 neurotensin receptor 1 |
ACS Med Chem Lett 11: 16-22 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50538324
(CHEMBL4116470)Show SMILES CCC(=O)NCc1cc(cc(c1)C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1)C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1 Show InChI InChI=1S/C76H91N15O9/c1-2-68(92)81-46-55-43-56(73(97)79-35-33-77-69(93)27-25-58-47-88(51-82-58)37-13-11-15-53-29-39-86(40-30-53)49-71(95)90-64-21-7-3-17-60(64)75(99)84-62-19-5-9-23-66(62)90)45-57(44-55)74(98)80-36-34-78-70(94)28-26-59-48-89(52-83-59)38-14-12-16-54-31-41-87(42-32-54)50-72(96)91-65-22-8-4-18-61(65)76(100)85-63-20-6-10-24-67(63)91/h3-10,17-24,43-45,47-48,51-54H,2,11-16,25-42,46,49-50H2,1H3,(H,77,93)(H,78,94)(H,79,97)(H,80,98)(H,81,92)(H,84,99)(H,85,100) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.525 | 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 4-(2-((1E,3E)-5-((E)-1-(6-((3,5-Bis((2-(3-(1-(4-(1-(2-oxo-2-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-5-yl)ethyl)piperidin-4... |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50538312
(CHEMBL4641726)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)CC2)c2ccc(cc12)S(O)(=O)=O |c:21| Show InChI InChI=1S/C65H84N8O9S2/c1-64(2)52-23-11-14-26-56(52)71(38-19-20-46-83(77,78)79)59(64)28-7-5-8-29-60-65(3,4)53-47-50(84(80,81)82)31-32-57(53)72(60)37-17-6-9-30-61(74)66-35-41-69-44-42-68(43-45-69)36-18-16-21-49-33-39-70(40-34-49)48-62(75)73-55-25-13-10-22-51(55)63(76)67-54-24-12-15-27-58(54)73/h5,7-8,10-15,22-29,31-32,47,49H,6,9,16-21,30,33-46,48H2,1-4H3,(H3-,66,67,74,76,77,78,79,80,81,82) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.525 | 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]-NMS from human muscarinic M2 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50538323
(CHEMBL3140030)Show SMILES [H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)C)OC(=O)[C@H](CO)c1ccccc1 |r| Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14+,15-,16+,17-/m1/s1 | PDB
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| 0.589 | 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 4-(2-((1E,3E)-5-((E)-1-(6-((3,5-Bis((2-(3-(1-(4-(1-(2-oxo-2-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-5-yl)ethyl)piperidin-4... |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50538319
(CHEMBL4645845)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1 Show InChI InChI=1S/C32H41N7O3/c33-16-17-34-30(40)13-12-25-21-38(23-35-25)18-6-5-7-24-14-19-37(20-15-24)22-31(41)39-28-10-3-1-8-26(28)32(42)36-27-9-2-4-11-29(27)39/h1-4,8-11,21,23-24H,5-7,12-20,22,33H2,(H,34,40)(H,36,42) | PDB
UniProtKB/SwissProt
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UniChem
| Article
PubMed
| 0.589 | 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]-NMS from human muscarinic M2 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50538314
(CHEMBL4636899)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCc2cc(cc(c2)C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)c2ccc(cc12)S(O)(=O)=O |c:27| Show InChI InChI=1S/C108H129N17O15S2/c1-107(2)86-31-12-17-36-92(86)122(59-25-26-64-141(135,136)137)96(107)39-7-5-8-40-97-108(3,4)87-68-83(142(138,139)140)44-45-93(87)123(97)58-22-6-9-41-98(126)113-69-78-65-79(103(131)111-54-52-109-99(127)46-42-81-70-120(74-114-81)56-23-20-27-76-48-60-118(61-49-76)72-101(129)124-90-34-15-10-29-84(90)105(133)116-88-32-13-18-37-94(88)124)67-80(66-78)104(132)112-55-53-110-100(128)47-43-82-71-121(75-115-82)57-24-21-28-77-50-62-119(63-51-77)73-102(130)125-91-35-16-11-30-85(91)106(134)117-89-33-14-19-38-95(89)125/h5,7-8,10-19,29-40,44-45,65-68,70-71,74-77H,6,9,20-28,41-43,46-64,69,72-73H2,1-4H3,(H8-,109,110,111,112,113,116,117,126,127,128,131,132,133,134,135,136,137,138,139,140) | PDB
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| 0.631 | 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]-NMS from human muscarinic M2 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 2
(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 | Reactome pathway
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PubMed
| 0.741 | 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 neurotensin receptor 2 in HEK293 cells homogenate incubated in dark after 30 mins by liquid scintillation co... |
ACS Med Chem Lett 11: 16-22 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50509515
(CHEMBL4463399)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.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)NC(=O)NCCOCCOCC[n+]1c(C)cc(\C=C\C=C\c2ccc(cc2)N(C)C)cc1C)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C64H97N15O11.4C2HF3O2/c1-9-42(4)55(59(84)74-53(61(86)87)37-41(2)3)75-57(82)52(40-46-22-26-49(80)27-23-46)73-58(83)54-19-14-31-79(54)60(85)51(18-13-28-69-62(66)67)72-56(81)50(65)17-12-29-70-63(68)76-64(88)71-30-33-89-35-36-90-34-32-78-43(5)38-47(39-44(78)6)16-11-10-15-45-20-24-48(25-21-45)77(7)8;4*3-2(4,5)1(6)7/h10-11,15-16,20-27,38-39,41-42,50-55H,9,12-14,17-19,28-37,40,65H2,1-8H3,(H13-,66,67,68,69,70,71,72,73,74,75,76,80,81,82,83,84,86,87,88);4*(H,6,7)/t42-,50-,51-,52-,53-,54-,55-;;;;/m0..../s1 | PDB
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| 0.759 | 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 neurotensin receptor 1 expressed in HT-29 cells incubated in dark after 30 mins by liquid scintillation coun... |
ACS Med Chem Lett 11: 16-22 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50538313
(CHEMBL4644612)Show SMILES OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)c2ccc(cc12)S(O)(=O)=O |c:15| Show InChI InChI=1S/C67H83N9O10S2/c1-66(2)53-23-11-14-26-57(53)74(41-19-20-44-87(81,82)83)60(66)28-7-5-8-29-61-67(3,4)54-45-51(88(84,85)86)32-33-58(54)75(61)40-17-6-9-30-62(77)68-37-38-69-63(78)34-31-50-46-73(48-70-50)39-18-16-21-49-35-42-72(43-36-49)47-64(79)76-56-25-13-10-22-52(56)65(80)71-55-24-12-15-27-59(55)76/h5,7-8,10-15,22-29,32-33,45-46,48-49H,6,9,16-21,30-31,34-44,47H2,1-4H3,(H4-,68,69,71,77,78,80,81,82,83,84,85,86) | PDB
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UniChem
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| 0.794 | 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]-NMS from human muscarinic M2 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50403547
(ATROPEN | ATROPINE)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16? | PDB
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| 0.912 | 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]-NMS from human muscarinic M2 receptor expressed in CHO-K9 cells measured after 60 mins by Hoechst H33342 dye based confocal plat... |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50538320
(CHEMBL4638411)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)c2ccccc12 |c:21| Show InChI InChI=1S/C67H83N9O7S/c1-66(2)53-25-11-15-29-57(53)74(60(66)32-7-5-8-33-61-67(3,4)54-26-12-16-30-58(54)75(61)43-21-22-46-84(81,82)83)42-19-6-9-34-62(77)68-39-40-69-63(78)36-35-51-47-73(49-70-51)41-20-18-23-50-37-44-72(45-38-50)48-64(79)76-56-28-14-10-24-52(56)65(80)71-55-27-13-17-31-59(55)76/h5,7-8,10-17,24-33,47,49-50H,6,9,18-23,34-46,48H2,1-4H3,(H3-,68,69,71,77,78,80,81,82,83) | PDB
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| 0.933 | 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]-NMS from human muscarinic M2 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 2
(Homo sapiens (Human)) | BDBM50509508
(CHEMBL4534768)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.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)NC(=O)NCCOCCOCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:99| Show InChI InChI=1S/C77H114N16O12.4C2HF3O2/c1-10-51(4)66(70(99)88-59(72(101)102)48-50(2)3)89-68(97)58(49-52-34-36-53(94)37-35-52)87-69(98)62-30-23-43-93(62)71(100)57(27-22-38-83-73(79)80)86-67(96)56(78)26-21-39-84-74(81)90-75(103)85-41-45-105-47-46-104-44-40-82-65(95)33-15-12-20-42-92-61-29-19-17-25-55(61)77(7,8)64(92)32-14-11-13-31-63-76(5,6)54-24-16-18-28-60(54)91(63)9;4*3-2(4,5)1(6)7/h11,13-14,16-19,24-25,28-29,31-32,34-37,50-51,56-59,62,66H,10,12,15,20-23,26-27,30,33,38-49,78H2,1-9H3,(H14-,79,80,81,82,83,84,85,86,87,88,89,90,94,95,96,97,98,99,101,102,103);4*(H,6,7)/t51-,56-,57-,58-,59-,62-,66-;;;;/m0..../s1 | Reactome pathway
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| 0.955 | 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 neurotensin receptor 2 in HEK293 cells homogenate incubated in dark after 30 mins by liquid scintillation co... |
ACS Med Chem Lett 11: 16-22 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50538323
(CHEMBL3140030)Show SMILES [H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)C)OC(=O)[C@H](CO)c1ccccc1 |r| Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14+,15-,16+,17-/m1/s1 | PDB
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| 1.10 | 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 4-(2-((1E,3E)-5-((E)-3,3-Dimethyl-1-(6-oxo-6-((2-(4-(4-(1-(2-oxo-2-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-5-yl)ethyl)pipe... |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50538323
(CHEMBL3140030)Show SMILES [H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)C)OC(=O)[C@H](CO)c1ccccc1 |r| Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14+,15-,16+,17-/m1/s1 | PDB
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| 1.20 | 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 4-(2-((1E,3E)-5-((E)-3,3-Dimethyl-1-(6-oxo-6-((2-(4-(4-(1-(2-oxo-2-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-5-yl)ethyl)pipe... |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50130880
(CHEMBL407196 | NT(1-13) | neurotensin | pGlu-Leu-T...)Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r| Show InChI InChI=1S/C78H121N21O20/c1-7-43(6)63(73(115)96-57(76(118)119)37-42(4)5)97-70(112)55(39-45-21-25-47(101)26-22-45)95-72(114)59-18-13-35-99(59)75(117)52(16-11-33-86-78(83)84)90-64(106)48(15-10-32-85-77(81)82)89-71(113)58-17-12-34-98(58)74(116)51(14-8-9-31-79)91-69(111)56(40-60(80)102)94-66(108)50(28-30-62(104)105)88-68(110)54(38-44-19-23-46(100)24-20-44)93-67(109)53(36-41(2)3)92-65(107)49-27-29-61(103)87-49/h19-26,41-43,48-59,63,100-101H,7-18,27-40,79H2,1-6H3,(H2,80,102)(H,87,103)(H,88,110)(H,89,113)(H,90,106)(H,91,111)(H,92,107)(H,93,109)(H,94,108)(H,95,114)(H,96,115)(H,97,112)(H,104,105)(H,118,119)(H4,81,82,85)(H4,83,84,86)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1 | PDB
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PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Binding affinity to human neurotensin receptor 1 |
ACS Med Chem Lett 11: 16-22 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 2
(Homo sapiens (Human)) | BDBM50509510
(CHEMBL4564746)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.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)NC(=O)NCCCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:89| Show InChI InChI=1S/C75H110N16O10.3C2HF3O2/c1-10-49(4)64(68(97)86-57(70(99)100)46-48(2)3)87-66(95)56(47-50-36-38-51(92)39-37-50)85-67(96)60-32-25-45-91(60)69(98)55(29-24-42-81-71(77)78)84-65(94)54(76)28-23-43-82-72(79)88-73(101)83-41-21-20-40-80-63(93)35-15-12-22-44-90-59-31-19-17-27-53(59)75(7,8)62(90)34-14-11-13-33-61-74(5,6)52-26-16-18-30-58(52)89(61)9;3*3-2(4,5)1(6)7/h11,13-14,16-19,26-27,30-31,33-34,36-39,48-49,54-57,60,64H,10,12,15,20-25,28-29,32,35,40-47,76H2,1-9H3,(H14-,77,78,79,80,81,82,83,84,85,86,87,88,92,93,94,95,96,97,99,100,101);3*(H,6,7)/t49-,54-,55-,56-,57-,60-,64-;;;/m0.../s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.20 | 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 neurotensin receptor 2 in HEK293 cells homogenate incubated in dark after 30 mins by liquid scintillation co... |
ACS Med Chem Lett 11: 16-22 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50538311
(CHEMBL4641714)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)CC2)c2ccccc12 |c:27| Show InChI InChI=1S/C65H84N8O6S/c1-64(2)52-25-11-15-29-56(52)71(59(64)32-7-5-8-33-60-65(3,4)53-26-12-16-30-57(53)72(60)40-21-22-48-80(77,78)79)39-19-6-9-34-61(74)66-37-43-69-46-44-68(45-47-69)38-20-18-23-50-35-41-70(42-36-50)49-62(75)73-55-28-14-10-24-51(55)63(76)67-54-27-13-17-31-58(54)73/h5,7-8,10-17,24-33,50H,6,9,18-23,34-49H2,1-4H3,(H2-,66,67,74,76,77,78,79) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.30 | 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]-NMS from human muscarinic M2 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50509511
(CHEMBL4457798)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.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)NC(=O)NCCCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)C(C)(C)c2cc(ccc12)S(O)(=O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:83| Show InChI InChI=1S/C78H116N16O16S2.2C2HF3O2/c1-9-51(4)67(71(100)89-60(73(102)103)47-50(2)3)90-69(98)59(48-52-33-35-53(95)36-34-52)88-70(99)63-29-24-45-94(63)72(101)58(27-23-41-84-74(80)81)87-68(97)57(79)26-22-42-85-75(82)91-76(104)86-40-18-17-39-83-66(96)32-14-11-19-43-93-62-38-37-54(112(108,109)110)49-56(62)78(7,8)65(93)31-13-10-12-30-64-77(5,6)55-25-15-16-28-61(55)92(64)44-20-21-46-111(105,106)107;2*3-2(4,5)1(6)7/h10,12-13,15-16,25,28,30-31,33-38,49-51,57-60,63,67H,9,11,14,17-24,26-27,29,32,39-48,79H2,1-8H3,(H16-,80,81,82,83,84,85,86,87,88,89,90,91,95,96,97,98,99,100,102,103,104,105,106,107,108,109,110);2*(H,6,7)/t51-,57-,58-,59-,60-,63-,67-;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.30 | 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 neurotensin receptor 1 stably expressed in CHO cells incubated in dark after 30 mins by liquid scintillation... |
ACS Med Chem Lett 11: 16-22 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50509515
(CHEMBL4463399)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.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)NC(=O)NCCOCCOCC[n+]1c(C)cc(\C=C\C=C\c2ccc(cc2)N(C)C)cc1C)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C64H97N15O11.4C2HF3O2/c1-9-42(4)55(59(84)74-53(61(86)87)37-41(2)3)75-57(82)52(40-46-22-26-49(80)27-23-46)73-58(83)54-19-14-31-79(54)60(85)51(18-13-28-69-62(66)67)72-56(81)50(65)17-12-29-70-63(68)76-64(88)71-30-33-89-35-36-90-34-32-78-43(5)38-47(39-44(78)6)16-11-10-15-45-20-24-48(25-21-45)77(7)8;4*3-2(4,5)1(6)7/h10-11,15-16,20-27,38-39,41-42,50-55H,9,12-14,17-19,28-37,40,65H2,1-8H3,(H13-,66,67,68,69,70,71,72,73,74,75,76,80,81,82,83,84,86,87,88);4*(H,6,7)/t42-,50-,51-,52-,53-,54-,55-;;;;/m0..../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.30 | 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 neurotensin receptor 1 stably expressed in CHO cells incubated in dark after 30 mins by liquid scintillation... |
ACS Med Chem Lett 11: 16-22 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50509511
(CHEMBL4457798)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.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)NC(=O)NCCCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)C(C)(C)c2cc(ccc12)S(O)(=O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:83| Show InChI InChI=1S/C78H116N16O16S2.2C2HF3O2/c1-9-51(4)67(71(100)89-60(73(102)103)47-50(2)3)90-69(98)59(48-52-33-35-53(95)36-34-52)88-70(99)63-29-24-45-94(63)72(101)58(27-23-41-84-74(80)81)87-68(97)57(79)26-22-42-85-75(82)91-76(104)86-40-18-17-39-83-66(96)32-14-11-19-43-93-62-38-37-54(112(108,109)110)49-56(62)78(7,8)65(93)31-13-10-12-30-64-77(5,6)55-25-15-16-28-61(55)92(64)44-20-21-46-111(105,106)107;2*3-2(4,5)1(6)7/h10,12-13,15-16,25,28,30-31,33-38,49-51,57-60,63,67H,9,11,14,17-24,26-27,29,32,39-48,79H2,1-8H3,(H16-,80,81,82,83,84,85,86,87,88,89,90,91,95,96,97,98,99,100,102,103,104,105,106,107,108,109,110);2*(H,6,7)/t51-,57-,58-,59-,60-,63-,67-;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.40 | 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 neurotensin receptor 1 expressed in HT-29 cells incubated in dark after 30 mins by liquid scintillation coun... |
ACS Med Chem Lett 11: 16-22 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50538322
(CHEMBL4636351)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCc2cc(cc(c2)C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)c2ccccc12 |c:33| Show InChI InChI=1S/C108H129N17O12S/c1-107(2)86-33-12-18-39-92(86)122(96(107)43-7-5-8-44-97-108(3,4)87-34-13-19-40-93(87)123(97)61-27-28-66-138(135,136)137)60-24-6-9-45-98(126)113-70-79-67-80(103(131)111-56-54-109-99(127)48-46-82-71-120(75-114-82)58-25-22-29-77-50-62-118(63-51-77)73-101(129)124-90-37-16-10-31-84(90)105(133)116-88-35-14-20-41-94(88)124)69-81(68-79)104(132)112-57-55-110-100(128)49-47-83-72-121(76-115-83)59-26-23-30-78-52-64-119(65-53-78)74-102(130)125-91-38-17-11-32-85(91)106(134)117-89-36-15-21-42-95(89)125/h5,7-8,10-21,31-44,67-69,71-72,75-78H,6,9,22-30,45-66,70,73-74H2,1-4H3,(H7-,109,110,111,112,113,116,117,126,127,128,131,132,133,134,135,136,137) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.40 | 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]-NMS from human muscarinic M2 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50509513
(CHEMBL4537266)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.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)NC(=O)NCCOCCOCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)C(C)(C)c2cc(ccc12)S(O)(=O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:87| Show InChI InChI=1S/C80H120N16O18S2.2C2HF3O2/c1-9-53(4)69(73(102)91-62(75(104)105)49-52(2)3)92-71(100)61(50-54-31-33-55(97)34-32-54)90-72(101)65-27-22-43-96(65)74(103)60(25-21-37-86-76(82)83)89-70(99)59(81)24-20-38-87-77(84)93-78(106)88-40-45-114-47-46-113-44-39-85-68(98)30-14-11-17-41-95-64-36-35-56(116(110,111)112)51-58(64)80(7,8)67(95)29-13-10-12-28-66-79(5,6)57-23-15-16-26-63(57)94(66)42-18-19-48-115(107,108)109;2*3-2(4,5)1(6)7/h10,12-13,15-16,23,26,28-29,31-36,51-53,59-62,65,69H,9,11,14,17-22,24-25,27,30,37-50,81H2,1-8H3,(H16-,82,83,84,85,86,87,88,89,90,91,92,93,97,98,99,100,101,102,104,105,106,107,108,109,110,111,112);2*(H,6,7)/t53-,59-,60-,61-,62-,65-,69-;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.5 | 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 neurotensin receptor 1 stably expressed in CHO cells incubated in dark after 30 mins by liquid scintillation... |
ACS Med Chem Lett 11: 16-22 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50538315
(CHEMBL4641328)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCc1cc(cc(c1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NCCN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C58H76N12O5/c59-40-43-37-44(55(72)60-22-31-65-27-18-46(19-28-65)68-29-20-47(21-30-68)69-52-14-5-3-12-50(52)63-58(69)75)39-45(38-43)56(73)61-23-32-66-35-33-64(34-36-66)24-8-7-9-42-16-25-67(26-17-42)41-54(71)70-51-13-4-1-10-48(51)57(74)62-49-11-2-6-15-53(49)70/h1-6,10-15,37-39,42,46-47H,7-9,16-36,40-41,59H2,(H,60,72)(H,61,73)(H,62,74)(H,63,75) | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.60 | 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]-NMS from human muscarinic M1 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50265998
(CHEMBL4070155)Show SMILES CCCN(CCC)CC1CCCCN1CCNC(=O)N1c2ccccc2NC(=O)c2cccnc12 Show InChI InChI=1S/C27H38N6O2/c1-3-16-31(17-4-2)20-21-10-7-8-18-32(21)19-15-29-27(35)33-24-13-6-5-12-23(24)30-26(34)22-11-9-14-28-25(22)33/h5-6,9,11-14,21H,3-4,7-8,10,15-20H2,1-2H3,(H,29,35)(H,30,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.90 | 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]-NMS from human muscarinic M2 receptor expressed in CHO-K9 cells measured after 60 mins by Hoechst H33342 dye based confocal plat... |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50509513
(CHEMBL4537266)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.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)NC(=O)NCCOCCOCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)C(C)(C)c2cc(ccc12)S(O)(=O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:87| Show InChI InChI=1S/C80H120N16O18S2.2C2HF3O2/c1-9-53(4)69(73(102)91-62(75(104)105)49-52(2)3)92-71(100)61(50-54-31-33-55(97)34-32-54)90-72(101)65-27-22-43-96(65)74(103)60(25-21-37-86-76(82)83)89-70(99)59(81)24-20-38-87-77(84)93-78(106)88-40-45-114-47-46-113-44-39-85-68(98)30-14-11-17-41-95-64-36-35-56(116(110,111)112)51-58(64)80(7,8)67(95)29-13-10-12-28-66-79(5,6)57-23-15-16-26-63(57)94(66)42-18-19-48-115(107,108)109;2*3-2(4,5)1(6)7/h10,12-13,15-16,23,26,28-29,31-36,51-53,59-62,65,69H,9,11,14,17-22,24-25,27,30,37-50,81H2,1-8H3,(H16-,82,83,84,85,86,87,88,89,90,91,92,93,97,98,99,100,101,102,104,105,106,107,108,109,110,111,112);2*(H,6,7)/t53-,59-,60-,61-,62-,65-,69-;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | 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 neurotensin receptor 1 expressed in HT-29 cells incubated in dark after 30 mins by liquid scintillation coun... |
ACS Med Chem Lett 11: 16-22 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50538312
(CHEMBL4641726)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)CC2)c2ccc(cc12)S(O)(=O)=O |c:21| Show InChI InChI=1S/C65H84N8O9S2/c1-64(2)52-23-11-14-26-56(52)71(38-19-20-46-83(77,78)79)59(64)28-7-5-8-29-60-65(3,4)53-47-50(84(80,81)82)31-32-57(53)72(60)37-17-6-9-30-61(74)66-35-41-69-44-42-68(43-45-69)36-18-16-21-49-33-39-70(40-34-49)48-62(75)73-55-25-13-10-22-51(55)63(76)67-54-24-12-15-27-58(54)73/h5,7-8,10-15,22-29,31-32,47,49H,6,9,16-21,30,33-46,48H2,1-4H3,(H3-,66,67,74,76,77,78,79,80,81,82) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.10 | 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]-NMS from human muscarinic M4 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50509508
(CHEMBL4534768)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.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)NC(=O)NCCOCCOCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:99| Show InChI InChI=1S/C77H114N16O12.4C2HF3O2/c1-10-51(4)66(70(99)88-59(72(101)102)48-50(2)3)89-68(97)58(49-52-34-36-53(94)37-35-52)87-69(98)62-30-23-43-93(62)71(100)57(27-22-38-83-73(79)80)86-67(96)56(78)26-21-39-84-74(81)90-75(103)85-41-45-105-47-46-104-44-40-82-65(95)33-15-12-20-42-92-61-29-19-17-25-55(61)77(7,8)64(92)32-14-11-13-31-63-76(5,6)54-24-16-18-28-60(54)91(63)9;4*3-2(4,5)1(6)7/h11,13-14,16-19,24-25,28-29,31-32,34-37,50-51,56-59,62,66H,10,12,15,20-23,26-27,30,33,38-49,78H2,1-9H3,(H14-,79,80,81,82,83,84,85,86,87,88,89,90,94,95,96,97,98,99,101,102,103);4*(H,6,7)/t51-,56-,57-,58-,59-,62-,66-;;;;/m0..../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.20 | 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 neurotensin receptor 1 expressed in HT-29 cells incubated in dark after 30 mins by liquid scintillation coun... |
ACS Med Chem Lett 11: 16-22 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50538314
(CHEMBL4636899)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCc2cc(cc(c2)C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)c2ccc(cc12)S(O)(=O)=O |c:27| Show InChI InChI=1S/C108H129N17O15S2/c1-107(2)86-31-12-17-36-92(86)122(59-25-26-64-141(135,136)137)96(107)39-7-5-8-40-97-108(3,4)87-68-83(142(138,139)140)44-45-93(87)123(97)58-22-6-9-41-98(126)113-69-78-65-79(103(131)111-54-52-109-99(127)46-42-81-70-120(74-114-81)56-23-20-27-76-48-60-118(61-49-76)72-101(129)124-90-34-15-10-29-84(90)105(133)116-88-32-13-18-37-94(88)124)67-80(66-78)104(132)112-55-53-110-100(128)47-43-82-71-121(75-115-82)57-24-21-28-77-50-62-119(63-51-77)73-102(130)125-91-35-16-11-30-85(91)106(134)117-89-33-14-19-38-95(89)125/h5,7-8,10-19,29-40,44-45,65-68,70-71,74-77H,6,9,20-28,41-43,46-64,69,72-73H2,1-4H3,(H8-,109,110,111,112,113,116,117,126,127,128,131,132,133,134,135,136,137,138,139,140) | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.30 | 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]-NMS from human muscarinic M1 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50538316
(CHEMBL4643273)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS(O)(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCc2cc(cc(c2)C(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)CC2)C(=O)NCCN2CCC(CC2)N2CCC(CC2)n2c3ccccc3[nH]c2=O)c2ccc(cc12)S([O-])(=O)=O |c:33| Show InChI InChI=1S/C93H118N14O12S2/c1-92(2)75-25-11-15-29-80(75)104(47-21-22-60-120(114,115)116)84(92)32-7-5-8-33-85-93(3,4)76-64-73(121(117,118)119)35-36-81(76)105(85)46-19-6-9-34-86(108)96-65-68-61-69(88(110)94-43-54-100-50-39-71(40-51-100)103-52-41-72(42-53-103)106-82-30-16-13-27-78(82)98-91(106)113)63-70(62-68)89(111)95-44-55-101-58-56-99(57-59-101)45-20-18-23-67-37-48-102(49-38-67)66-87(109)107-79-28-14-10-24-74(79)90(112)97-77-26-12-17-31-83(77)107/h5,7-8,10-17,24-33,35-36,61-64,67,71-72H,6,9,18-23,34,37-60,65-66H2,1-4H3,(H6-,94,95,96,97,98,108,110,111,112,113,114,115,116,117,118,119) | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.30 | 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]-NMS from human muscarinic M1 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50403547
(ATROPEN | ATROPINE)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16? | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | 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 4-(2-((1E,3E)-5-((E)-3,3-Dimethyl-1-(6-oxo-6-((2-(4-(4-(1-(2-oxo-2-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-5-yl)ethyl)pipe... |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50509508
(CHEMBL4534768)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.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)NC(=O)NCCOCCOCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:99| Show InChI InChI=1S/C77H114N16O12.4C2HF3O2/c1-10-51(4)66(70(99)88-59(72(101)102)48-50(2)3)89-68(97)58(49-52-34-36-53(94)37-35-52)87-69(98)62-30-23-43-93(62)71(100)57(27-22-38-83-73(79)80)86-67(96)56(78)26-21-39-84-74(81)90-75(103)85-41-45-105-47-46-104-44-40-82-65(95)33-15-12-20-42-92-61-29-19-17-25-55(61)77(7,8)64(92)32-14-11-13-31-63-76(5,6)54-24-16-18-28-60(54)91(63)9;4*3-2(4,5)1(6)7/h11,13-14,16-19,24-25,28-29,31-32,34-37,50-51,56-59,62,66H,10,12,15,20-23,26-27,30,33,38-49,78H2,1-9H3,(H14-,79,80,81,82,83,84,85,86,87,88,89,90,94,95,96,97,98,99,101,102,103);4*(H,6,7)/t51-,56-,57-,58-,59-,62-,66-;;;;/m0..../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.5 | 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 neurotensin receptor 1 stably expressed in CHO cells incubated in dark after 30 mins by liquid scintillation... |
ACS Med Chem Lett 11: 16-22 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50509514
(CHEMBL4584647)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.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)NC(=O)NCCOCCOCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:93| Show InChI InChI=1S/C80H120N16O15S.3C2HF3O2/c1-9-54(4)69(73(102)91-62(75(104)105)51-53(2)3)92-71(100)61(52-55-35-37-56(97)38-36-55)90-72(101)65-31-24-45-96(65)74(103)60(28-23-39-86-76(82)83)89-70(99)59(81)27-22-40-87-77(84)93-78(106)88-42-47-111-49-48-110-46-41-85-68(98)34-14-11-19-43-94-63-29-17-15-25-57(63)79(5,6)66(94)32-12-10-13-33-67-80(7,8)58-26-16-18-30-64(58)95(67)44-20-21-50-112(107,108)109;3*3-2(4,5)1(6)7/h10,12-13,15-18,25-26,29-30,32-33,35-38,53-54,59-62,65,69H,9,11,14,19-24,27-28,31,34,39-52,81H2,1-8H3,(H15-,82,83,84,85,86,87,88,89,90,91,92,93,97,98,99,100,101,102,104,105,106,107,108,109);3*(H,6,7)/t54-,59-,60-,61-,62-,65-,69-;;;/m0.../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.5 | 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 neurotensin receptor 1 stably expressed in CHO cells incubated in dark after 30 mins by liquid scintillation... |
ACS Med Chem Lett 11: 16-22 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50538316
(CHEMBL4643273)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS(O)(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCc2cc(cc(c2)C(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)CC2)C(=O)NCCN2CCC(CC2)N2CCC(CC2)n2c3ccccc3[nH]c2=O)c2ccc(cc12)S([O-])(=O)=O |c:33| Show InChI InChI=1S/C93H118N14O12S2/c1-92(2)75-25-11-15-29-80(75)104(47-21-22-60-120(114,115)116)84(92)32-7-5-8-33-85-93(3,4)76-64-73(121(117,118)119)35-36-81(76)105(85)46-19-6-9-34-86(108)96-65-68-61-69(88(110)94-43-54-100-50-39-71(40-51-100)103-52-41-72(42-53-103)106-82-30-16-13-27-78(82)98-91(106)113)63-70(62-68)89(111)95-44-55-101-58-56-99(57-59-101)45-20-18-23-67-37-48-102(49-38-67)66-87(109)107-79-28-14-10-24-74(79)90(112)97-77-26-12-17-31-83(77)107/h5,7-8,10-17,24-33,35-36,61-64,67,71-72H,6,9,18-23,34,37-60,65-66H2,1-4H3,(H6-,94,95,96,97,98,108,110,111,112,113,114,115,116,117,118,119) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.60 | 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]-NMS from human muscarinic M4 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50509516
(CHEMBL4592541)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc12)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:81| Show InChI InChI=1S/C80H120N16O15S.3C2HF3O2/c1-9-54(4)69(73(102)91-62(75(104)105)51-53(2)3)92-71(100)61(52-55-35-37-56(97)38-36-55)90-72(101)65-31-24-45-96(65)74(103)60(89-70(99)59(81)27-22-39-86-76(82)83)28-23-40-87-77(84)93-78(106)88-42-47-111-49-48-110-46-41-85-68(98)34-14-11-19-43-94-63-29-17-15-25-57(63)79(5,6)66(94)32-12-10-13-33-67-80(7,8)58-26-16-18-30-64(58)95(67)44-20-21-50-112(107,108)109;3*3-2(4,5)1(6)7/h10,12-13,15-18,25-26,29-30,32-33,35-38,53-54,59-62,65,69H,9,11,14,19-24,27-28,31,34,39-52,81H2,1-8H3,(H15-,82,83,84,85,86,87,88,89,90,91,92,93,97,98,99,100,101,102,104,105,106,107,108,109);3*(H,6,7)/t54-,59-,60-,61-,62-,65-,69-;;;/m0.../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.70 | 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 neurotensin receptor 1 expressed in HT-29 cells incubated in dark after 30 mins by liquid scintillation coun... |
ACS Med Chem Lett 11: 16-22 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50538312
(CHEMBL4641726)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)CC2)c2ccc(cc12)S(O)(=O)=O |c:21| Show InChI InChI=1S/C65H84N8O9S2/c1-64(2)52-23-11-14-26-56(52)71(38-19-20-46-83(77,78)79)59(64)28-7-5-8-29-60-65(3,4)53-47-50(84(80,81)82)31-32-57(53)72(60)37-17-6-9-30-61(74)66-35-41-69-44-42-68(43-45-69)36-18-16-21-49-33-39-70(40-34-49)48-62(75)73-55-25-13-10-22-51(55)63(76)67-54-24-12-15-27-58(54)73/h5,7-8,10-15,22-29,31-32,47,49H,6,9,16-21,30,33-46,48H2,1-4H3,(H3-,66,67,74,76,77,78,79,80,81,82) | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.90 | 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]-NMS from human muscarinic M1 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50538314
(CHEMBL4636899)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCc2cc(cc(c2)C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)c2ccc(cc12)S(O)(=O)=O |c:27| Show InChI InChI=1S/C108H129N17O15S2/c1-107(2)86-31-12-17-36-92(86)122(59-25-26-64-141(135,136)137)96(107)39-7-5-8-40-97-108(3,4)87-68-83(142(138,139)140)44-45-93(87)123(97)58-22-6-9-41-98(126)113-69-78-65-79(103(131)111-54-52-109-99(127)46-42-81-70-120(74-114-81)56-23-20-27-76-48-60-118(61-49-76)72-101(129)124-90-34-15-10-29-84(90)105(133)116-88-32-13-18-37-94(88)124)67-80(66-78)104(132)112-55-53-110-100(128)47-43-82-71-121(75-115-82)57-24-21-28-77-50-62-119(63-51-77)73-102(130)125-91-35-16-11-30-85(91)106(134)117-89-33-14-19-38-95(89)125/h5,7-8,10-19,29-40,44-45,65-68,70-71,74-77H,6,9,20-28,41-43,46-64,69,72-73H2,1-4H3,(H8-,109,110,111,112,113,116,117,126,127,128,131,132,133,134,135,136,137,138,139,140) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.90 | 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]-NMS from human muscarinic M4 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50538309
(CHEMBL4646116)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc56)CC4)CC3)c(C)c2)cc1 Show InChI InChI=1S/C49H61N7O2/c1-38-35-42(15-6-5-13-40-20-22-43(23-21-40)51(3)4)36-39(2)55(38)34-33-53-31-29-52(30-32-53)26-12-11-14-41-24-27-54(28-25-41)37-48(57)56-46-18-9-7-16-44(46)49(58)50-45-17-8-10-19-47(45)56/h5-10,13,15-23,35-36,41H,11-12,14,24-34,37H2,1-4H3/p+1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3 | 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]-NMS from human muscarinic M2 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50403547
(ATROPEN | ATROPINE)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16? | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.20 | 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 4-(2-((1E,3E)-5-((E)-3,3-Dimethyl-1-(6-oxo-6-((2-(3-(1-(4-(1-(2-oxo-2-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-5-yl)ethyl)p... |
J Med Chem 63: 4133-4154 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 2
(Homo sapiens (Human)) | BDBM50509513
(CHEMBL4537266)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.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)NC(=O)NCCOCCOCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)C(C)(C)c2cc(ccc12)S(O)(=O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:87| Show InChI InChI=1S/C80H120N16O18S2.2C2HF3O2/c1-9-53(4)69(73(102)91-62(75(104)105)49-52(2)3)92-71(100)61(50-54-31-33-55(97)34-32-54)90-72(101)65-27-22-43-96(65)74(103)60(25-21-37-86-76(82)83)89-70(99)59(81)24-20-38-87-77(84)93-78(106)88-40-45-114-47-46-113-44-39-85-68(98)30-14-11-17-41-95-64-36-35-56(116(110,111)112)51-58(64)80(7,8)67(95)29-13-10-12-28-66-79(5,6)57-23-15-16-26-63(57)94(66)42-18-19-48-115(107,108)109;2*3-2(4,5)1(6)7/h10,12-13,15-16,23,26,28-29,31-36,51-53,59-62,65,69H,9,11,14,17-22,24-25,27,30,37-50,81H2,1-8H3,(H16-,82,83,84,85,86,87,88,89,90,91,92,93,97,98,99,100,101,102,104,105,106,107,108,109,110,111,112);2*(H,6,7)/t53-,59-,60-,61-,62-,65-,69-;;/m0../s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.5 | 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 neurotensin receptor 2 in HEK293 cells homogenate incubated in dark after 30 mins by liquid scintillation co... |
ACS Med Chem Lett 11: 16-22 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50509509
(CHEMBL4566971)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)C(C)(C)c2cc(ccc12)S(O)(=O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:75| Show InChI InChI=1S/C80H120N16O18S2.2C2HF3O2/c1-9-53(4)69(73(102)91-62(75(104)105)49-52(2)3)92-71(100)61(50-54-31-33-55(97)34-32-54)90-72(101)65-27-22-43-96(65)74(103)60(89-70(99)59(81)24-20-37-86-76(82)83)25-21-38-87-77(84)93-78(106)88-40-45-114-47-46-113-44-39-85-68(98)30-14-11-17-41-95-64-36-35-56(116(110,111)112)51-58(64)80(7,8)67(95)29-13-10-12-28-66-79(5,6)57-23-15-16-26-63(57)94(66)42-18-19-48-115(107,108)109;2*3-2(4,5)1(6)7/h10,12-13,15-16,23,26,28-29,31-36,51-53,59-62,65,69H,9,11,14,17-22,24-25,27,30,37-50,81H2,1-8H3,(H16-,82,83,84,85,86,87,88,89,90,91,92,93,97,98,99,100,101,102,104,105,106,107,108,109,110,111,112);2*(H,6,7)/t53-,59-,60-,61-,62-,65-,69-;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.5 | 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 neurotensin receptor 1 expressed in HT-29 cells incubated in dark after 30 mins by liquid scintillation coun... |
ACS Med Chem Lett 11: 16-22 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 2
(Homo sapiens (Human)) | BDBM50509511
(CHEMBL4457798)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.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)NC(=O)NCCCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)C(C)(C)c2cc(ccc12)S(O)(=O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:83| Show InChI InChI=1S/C78H116N16O16S2.2C2HF3O2/c1-9-51(4)67(71(100)89-60(73(102)103)47-50(2)3)90-69(98)59(48-52-33-35-53(95)36-34-52)88-70(99)63-29-24-45-94(63)72(101)58(27-23-41-84-74(80)81)87-68(97)57(79)26-22-42-85-75(82)91-76(104)86-40-18-17-39-83-66(96)32-14-11-19-43-93-62-38-37-54(112(108,109)110)49-56(62)78(7,8)65(93)31-13-10-12-30-64-77(5,6)55-25-15-16-28-61(55)92(64)44-20-21-46-111(105,106)107;2*3-2(4,5)1(6)7/h10,12-13,15-16,25,28,30-31,33-38,49-51,57-60,63,67H,9,11,14,17-24,26-27,29,32,39-48,79H2,1-8H3,(H16-,80,81,82,83,84,85,86,87,88,89,90,91,95,96,97,98,99,100,102,103,104,105,106,107,108,109,110);2*(H,6,7)/t51-,57-,58-,59-,60-,63-,67-;;/m0../s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4 | 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 neurotensin receptor 2 in HEK293 cells homogenate incubated in dark after 30 mins by liquid scintillation co... |
ACS Med Chem Lett 11: 16-22 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN |
More data for this
Ligand-Target Pair | |
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