Found 38 hits of ic50 for UniProtKB: P16610 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50030146
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Tle-Gly-Leu-Met | CHEM...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(C)(C)C)C(N)=O Show InChI InChI=1S/C60H100N18O13S/c1-34(2)31-41(52(85)71-37(49(65)82)25-30-92-6)70-47(81)33-69-56(89)48(60(3,4)5)76-53(86)42(32-35-15-8-7-9-16-35)75-51(84)38(21-23-45(63)79)72-50(83)39(22-24-46(64)80)73-54(87)44-20-14-29-78(44)58(91)40(18-10-11-26-61)74-55(88)43-19-13-28-77(43)57(90)36(62)17-12-27-68-59(66)67/h7-9,15-16,34,36-44,48H,10-14,17-33,61-62H2,1-6H3,(H2,63,79)(H2,64,80)(H2,65,82)(H,69,89)(H,70,81)(H,71,85)(H,72,83)(H,73,87)(H,74,88)(H,75,84)(H,76,86)(H4,66,67,68)/t36-,37-,38-,39-,40-,41-,42-,43-,44+,48+/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ P. et M. Curie
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes |
J Med Chem 37: 1586-601 (1994)
BindingDB Entry DOI: 10.7270/Q2571CN1 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50323868
((S)-1-((4R,7S,13R)-13-((S)-2-amino-3-(4-hydroxyphe...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C61H72F6N10O9S2/c1-33(2)23-44(53(82)73-46(28-37-31-69-43-16-11-10-15-41(37)43)52(81)70-30-36-24-38(60(62,63)64)29-39(25-36)61(65,66)67)74-55(84)47-17-12-22-77(47)57(86)50-59(5,6)88-87-58(3,4)49(75-51(80)42(68)26-35-18-20-40(78)21-19-35)56(85)71-32-48(79)72-45(54(83)76-50)27-34-13-8-7-9-14-34/h7-11,13-16,18-21,24-25,29,31,33,42,44-47,49-50,69,78H,12,17,22-23,26-28,30,32,68H2,1-6H3,(H,70,81)(H,71,85)(H,72,79)(H,73,82)(H,74,84)(H,75,80)(H,76,83)/t42-,44-,45-,46-,47-,49+,50+/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P frome rat NK2 receptor |
J Med Chem 53: 5491-501 (2010)
Article DOI: 10.1021/jm100157m
BindingDB Entry DOI: 10.7270/Q21N81BD |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50264406
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-15-(4-hyd...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C59H70F6N10O9S/c1-33(2)23-46(54(81)73-48(28-38-31-67-44-14-9-8-13-42(38)44)53(80)68-30-37-24-39(58(60,61)62)29-40(25-37)59(63,64)65)74-56(83)49-15-10-21-75(49)57(84)45(20-22-85-4)72-55(82)47(27-35-11-6-5-7-12-35)71-50(77)32-69-51(78)34(3)70-52(79)43(66)26-36-16-18-41(76)19-17-36/h5-9,11-14,16-19,24-25,29,31,33-34,43,45-49,67,76H,10,15,20-23,26-28,30,32,66H2,1-4H3,(H,68,80)(H,69,78)(H,70,79)(H,71,77)(H,72,82)(H,73,81)(H,74,83)/t34-,43+,45+,46+,47+,48+,49+/m1/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P frome rat NK2 receptor |
J Med Chem 53: 5491-501 (2010)
Article DOI: 10.1021/jm100157m
BindingDB Entry DOI: 10.7270/Q21N81BD |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50407164
(CHEMBL2115376)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)[C@H]1CCc2ccccc12)C(N)=O Show InChI InChI=1S/C65H100N18O13S/c1-37(2)34-47(58(90)76-43(55(70)87)28-33-97-3)75-53(86)36-74-62(94)54(41-23-22-39-16-7-8-17-40(39)41)81-59(91)48(35-38-14-5-4-6-15-38)80-57(89)44(24-26-51(68)84)77-56(88)45(25-27-52(69)85)78-60(92)50-21-13-32-83(50)64(96)46(19-9-10-29-66)79-61(93)49-20-12-31-82(49)63(95)42(67)18-11-30-73-65(71)72/h4-8,14-17,37,41-50,54H,9-13,18-36,66-67H2,1-3H3,(H2,68,84)(H2,69,85)(H2,70,87)(H,74,94)(H,75,86)(H,76,90)(H,77,88)(H,78,92)(H,79,93)(H,80,89)(H,81,91)(H4,71,72,73)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50+,54-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ P. et M. Curie
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes |
J Med Chem 37: 1586-601 (1994)
BindingDB Entry DOI: 10.7270/Q2571CN1 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50030158
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Flg-Gly-Leu-Met | CHEM...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C1c2ccccc2-c2ccccc12)C(N)=O Show InChI InChI=1S/C69H100N18O13S/c1-39(2)36-50(62(94)80-46(59(74)91)30-35-101-3)79-56(90)38-78-66(98)58(57-43-20-9-7-18-41(43)42-19-8-10-21-44(42)57)85-63(95)51(37-40-16-5-4-6-17-40)84-61(93)47(26-28-54(72)88)81-60(92)48(27-29-55(73)89)82-64(96)53-25-15-34-87(53)68(100)49(23-11-12-31-70)83-65(97)52-24-14-33-86(52)67(99)45(71)22-13-32-77-69(75)76/h4-10,16-21,39,45-53,57-58H,11-15,22-38,70-71H2,1-3H3,(H2,72,88)(H2,73,89)(H2,74,91)(H,78,98)(H,79,90)(H,80,94)(H,81,92)(H,82,96)(H,83,97)(H,84,93)(H,85,95)(H4,75,76,77)/t45-,46-,47-,48-,49-,50-,51-,52-,53+,58-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ P. et M. Curie
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes |
J Med Chem 37: 1586-601 (1994)
BindingDB Entry DOI: 10.7270/Q2571CN1 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50323869
((S)-1-((4S,7S,13R)-13-((S)-2-amino-3-(4-hydroxyphe...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C61H72F6N10O9S2/c1-33(2)23-44(53(82)73-46(28-37-31-69-43-16-11-10-15-41(37)43)52(81)70-30-36-24-38(60(62,63)64)29-39(25-36)61(65,66)67)74-55(84)47-17-12-22-77(47)57(86)50-59(5,6)88-87-58(3,4)49(75-51(80)42(68)26-35-18-20-40(78)21-19-35)56(85)71-32-48(79)72-45(54(83)76-50)27-34-13-8-7-9-14-34/h7-11,13-16,18-21,24-25,29,31,33,42,44-47,49-50,69,78H,12,17,22-23,26-28,30,32,68H2,1-6H3,(H,70,81)(H,71,85)(H,72,79)(H,73,82)(H,74,84)(H,75,80)(H,76,83)/t42-,44-,45-,46-,47-,49+,50-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P frome rat NK2 receptor |
J Med Chem 53: 5491-501 (2010)
Article DOI: 10.1021/jm100157m
BindingDB Entry DOI: 10.7270/Q21N81BD |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50407161
(CHEMBL2114443)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)[C@@H]1CCc2ccccc12)C(N)=O Show InChI InChI=1S/C65H100N18O13S/c1-37(2)34-47(58(90)76-43(55(70)87)28-33-97-3)75-53(86)36-74-62(94)54(41-23-22-39-16-7-8-17-40(39)41)81-59(91)48(35-38-14-5-4-6-15-38)80-57(89)44(24-26-51(68)84)77-56(88)45(25-27-52(69)85)78-60(92)50-21-13-32-83(50)64(96)46(19-9-10-29-66)79-61(93)49-20-12-31-82(49)63(95)42(67)18-11-30-73-65(71)72/h4-8,14-17,37,41-50,54H,9-13,18-36,66-67H2,1-3H3,(H2,68,84)(H2,69,85)(H2,70,87)(H,74,94)(H,75,86)(H,76,90)(H,77,88)(H,78,92)(H,79,93)(H,80,89)(H,81,91)(H4,71,72,73)/t41-,42+,43+,44+,45+,46+,47+,48+,49+,50-,54+/m1/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ P. et M. Curie
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes |
J Med Chem 37: 1586-601 (1994)
BindingDB Entry DOI: 10.7270/Q2571CN1 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50045037
(CHEMBL3144352 | N-Benzyl-2-[2-[2-(3,6-dioxo-2,5-di...)Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O |r,wU:41.44,37.40,wD:11.11,22.24,THB:39:41:44.43:46.47,(10.7,-11.55,;10.4,-10.04,;11.55,-9.02,;13.01,-9.52,;14.17,-8.5,;15.63,-8.99,;15.93,-10.5,;14.77,-11.52,;13.31,-11.03,;8.94,-9.55,;8.63,-8.04,;7.78,-10.56,;8.08,-12.07,;6.93,-13.09,;7.23,-14.6,;6.07,-15.62,;4.61,-15.12,;4.31,-13.61,;5.47,-12.6,;6.32,-10.07,;5.16,-11.09,;4.52,-12.48,;3.71,-10.59,;3.4,-9.08,;4.56,-8.07,;6.06,-8.4,;6.85,-7.08,;5.83,-5.92,;6.01,-4.39,;4.78,-3.47,;3.36,-4.08,;3.18,-5.61,;4.42,-6.53,;2.55,-11.61,;1.09,-11.12,;.79,-9.61,;-.07,-12.13,;-1.53,-11.64,;-1.83,-10.13,;-3.29,-9.63,;-3.59,-8.12,;-4.44,-10.65,;-5.8,-10.12,;-7.3,-10.77,;-7.1,-12.18,;-5.54,-11.51,;-5.28,-9.58,;-5.73,-8.44,;-4.14,-12.16,;-2.68,-12.66,;-2.38,-14.17,)| Show InChI InChI=1S/C40H44N6O5/c1-45(24-26-12-6-3-7-13-26)39(50)33(20-25-10-4-2-5-11-25)43-37(48)32(21-28-23-41-31-15-9-8-14-30(28)31)42-35(47)22-34-40(51)46-29-18-16-27(17-19-29)36(46)38(49)44-34/h2-15,23,27,29,32-34,36,41H,16-22,24H2,1H3,(H,42,47)(H,43,48)(H,44,49) | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Tested for binding affinity against rat NK-2 receptor transfected on CHO cells using [125I]-His] NKA as radioligand |
J Med Chem 36: 1654-61 (1993)
BindingDB Entry DOI: 10.7270/Q25M66BM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50030166
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Pen(S-Me)-Gly-Leu-Met ...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(C)(C)SC)C(N)=O Show InChI InChI=1S/C60H100N18O13S2/c1-34(2)31-41(52(85)71-37(49(65)82)25-30-92-5)70-47(81)33-69-56(89)48(60(3,4)93-6)76-53(86)42(32-35-15-8-7-9-16-35)75-51(84)38(21-23-45(63)79)72-50(83)39(22-24-46(64)80)73-54(87)44-20-14-29-78(44)58(91)40(18-10-11-26-61)74-55(88)43-19-13-28-77(43)57(90)36(62)17-12-27-68-59(66)67/h7-9,15-16,34,36-44,48H,10-14,17-33,61-62H2,1-6H3,(H2,63,79)(H2,64,80)(H2,65,82)(H,69,89)(H,70,81)(H,71,85)(H,72,83)(H,73,87)(H,74,88)(H,75,84)(H,76,86)(H4,66,67,68)/t36-,37-,38-,39-,40-,41-,42-,43-,44+,48+/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ P. et M. Curie
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes |
J Med Chem 37: 1586-601 (1994)
BindingDB Entry DOI: 10.7270/Q2571CN1 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50323866
((S)-1-((3R,8R,14S,17S,22aS)-8-((S)-2-amino-3-(4-hy...)Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C72H90F6N12O11S2/c1-8-9-20-51-67(100)89-28-15-23-56(89)65(98)88-59(70(6,7)103-102-69(4,5)58(87-60(93)49(79)33-42-24-26-47(91)27-25-42)66(99)82-39-57(92)83-53(63(96)84-51)34-41-17-11-10-12-18-41)68(101)90-29-16-22-55(90)64(97)86-52(30-40(2)3)62(95)85-54(35-44-38-80-50-21-14-13-19-48(44)50)61(94)81-37-43-31-45(71(73,74)75)36-46(32-43)72(76,77)78/h10-14,17-19,21,24-27,31-32,36,38,40,49,51-56,58-59,80,91H,8-9,15-16,20,22-23,28-30,33-35,37,39,79H2,1-7H3,(H,81,94)(H,82,99)(H,83,92)(H,84,96)(H,85,95)(H,86,97)(H,87,93)(H,88,98)/t49-,51-,52-,53-,54-,55-,56-,58+,59+/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P frome rat NK2 receptor |
J Med Chem 53: 5491-501 (2010)
Article DOI: 10.1021/jm100157m
BindingDB Entry DOI: 10.7270/Q21N81BD |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50030163
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-(2S,3S)Ing-Flg-Leu-Met...)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#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]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1-[#6]-[#6]-c2ccccc-12)-[#6]-1-c2ccccc2-c2ccccc-12)-[#6](-[#7])=O Show InChI InChI=1S/C71H102N18O13S/c1-39(2)37-52(64(96)82-48(61(76)93)31-36-103-3)81-57(92)38-80-67(99)60(58-44-19-8-6-17-42(44)43-18-7-9-20-45(43)58)87-68(100)59(46-26-25-40-15-4-5-16-41(40)46)86-63(95)50(28-30-56(75)91)83-62(94)49(27-29-55(74)90)84-65(97)54-24-14-35-89(54)70(102)51(22-10-11-32-72)85-66(98)53-23-13-34-88(53)69(101)47(73)21-12-33-79-71(77)78/h4-9,15-20,39,46-54,58-60H,10-14,21-38,72-73H2,1-3H3,(H2,74,90)(H2,75,91)(H2,76,93)(H,80,99)(H,81,92)(H,82,96)(H,83,94)(H,84,97)(H,85,98)(H,86,95)(H,87,100)(H4,77,78,79)/t46?,47-,48+,49-,50-,51-,52-,53-,54-,59-,60-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ P. et M. Curie
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes |
J Med Chem 37: 1586-601 (1994)
BindingDB Entry DOI: 10.7270/Q2571CN1 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50030154
(Arg-Pro-Lys-Pro-Gln-Gln-(2S,3S)Bfi-Phe-Gly-Leu-Met...)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#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]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1-[#6]-[#6]-c2cc3ccccc3cc-12)-[#6](-[#7])=O Show InChI InChI=1S/C69H102N18O13S/c1-39(2)34-51(63(95)80-47(59(74)91)28-33-101-3)79-57(90)38-78-60(92)52(35-40-14-5-4-6-15-40)84-66(98)58(44-23-22-43-36-41-16-7-8-17-42(41)37-45(43)44)85-62(94)49(25-27-56(73)89)81-61(93)48(24-26-55(72)88)82-64(96)54-21-13-32-87(54)68(100)50(19-9-10-29-70)83-65(97)53-20-12-31-86(53)67(99)46(71)18-11-30-77-69(75)76/h4-8,14-17,36-37,39,44,46-54,58H,9-13,18-35,38,70-71H2,1-3H3,(H2,72,88)(H2,73,89)(H2,74,91)(H,78,92)(H,79,90)(H,80,95)(H,81,93)(H,82,96)(H,83,97)(H,84,98)(H,85,94)(H4,75,76,77)/t44?,46-,47+,48-,49-,50-,51-,52-,53-,54-,58-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ P. et M. Curie
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes |
J Med Chem 37: 1586-601 (1994)
BindingDB Entry DOI: 10.7270/Q2571CN1 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50045040
(CHEMBL3144343 | N-Benzyl-2-[2-[2-(3,6-dioxo-2,5-di...)Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O |r,wU:43.46,11.11,39.42,22.24,THB:41:43:46.45:48.49,(10.33,-13,;9.17,-14.02,;9.47,-15.53,;10.93,-16.02,;11.23,-17.53,;12.69,-18.03,;13.85,-17.01,;13.55,-15.5,;12.09,-15.01,;7.71,-13.52,;6.56,-14.54,;7.41,-12.01,;8.57,-11,;8.26,-9.49,;9.42,-8.47,;9.12,-6.96,;7.66,-6.47,;6.5,-7.48,;6.81,-8.99,;5.95,-11.52,;5.65,-10.01,;5.99,-8.51,;4.19,-9.52,;3.03,-10.53,;3.34,-12.04,;4.73,-12.69,;4.56,-14.22,;5.69,-15.26,;5.35,-16.76,;3.05,-14.52,;2.26,-15.84,;.72,-15.82,;-.03,-14.48,;.75,-13.16,;2.29,-13.18,;3.89,-8.01,;2.43,-7.51,;1.27,-8.53,;2.13,-6,;.67,-5.51,;.37,-4,;-1.09,-3.51,;-1.39,-2,;-2.25,-4.52,;-3.61,-3.99,;-5.11,-4.65,;-4.91,-6.06,;-3.34,-5.39,;-3.08,-3.45,;-3.54,-2.32,;-1.95,-6.03,;-.49,-6.53,;-.19,-8.04,)| Show InChI InChI=1S/C41H44N6O6/c1-45(23-27-12-6-3-7-13-27)40(52)33(20-26-10-4-2-5-11-26)43-38(50)32(21-29-24-46(25-48)35-15-9-8-14-31(29)35)42-36(49)22-34-41(53)47-30-18-16-28(17-19-30)37(47)39(51)44-34/h2-15,24-25,28,30,32-34,37H,16-23H2,1H3,(H,42,49)(H,43,50)(H,44,51) | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 142 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Tested for binding affinity against rat NK-2 receptor transfected on CHO cells using [125I]-His] NKA as radioligand |
J Med Chem 36: 1654-61 (1993)
BindingDB Entry DOI: 10.7270/Q25M66BM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50030153
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Pen(SO2-Me)-Gly-Leu-Me...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(C)(C)S(C)(=O)=O)C(N)=O Show InChI InChI=1S/C60H100N18O15S2/c1-34(2)31-41(52(85)71-37(49(65)82)25-30-94-5)70-47(81)33-69-56(89)48(60(3,4)95(6,92)93)76-53(86)42(32-35-15-8-7-9-16-35)75-51(84)38(21-23-45(63)79)72-50(83)39(22-24-46(64)80)73-54(87)44-20-14-29-78(44)58(91)40(18-10-11-26-61)74-55(88)43-19-13-28-77(43)57(90)36(62)17-12-27-68-59(66)67/h7-9,15-16,34,36-44,48H,10-14,17-33,61-62H2,1-6H3,(H2,63,79)(H2,64,80)(H2,65,82)(H,69,89)(H,70,81)(H,71,85)(H,72,83)(H,73,87)(H,74,88)(H,75,84)(H,76,86)(H4,66,67,68)/t36-,37-,38-,39-,40-,41-,42-,43-,44+,48+/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ P. et M. Curie
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes |
J Med Chem 37: 1586-601 (1994)
BindingDB Entry DOI: 10.7270/Q2571CN1 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50045036
(7-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethy...)Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O |r,wU:50.53,46.49,22.24,wD:11.11,THB:48:50:53.52:55.56,(11.12,-10.02,;9.98,-8.97,;11.14,-7.96,;12.6,-8.45,;13.76,-7.43,;15.21,-7.93,;15.52,-9.44,;14.36,-10.45,;12.9,-9.96,;8.52,-8.48,;8.22,-6.97,;7.37,-9.5,;7.67,-11.01,;9.13,-11.5,;10.29,-10.48,;11.74,-10.98,;12.05,-12.49,;10.89,-13.5,;9.43,-13.01,;5.91,-9,;4.75,-10.02,;5.05,-11.53,;3.29,-9.52,;2.14,-10.54,;2.44,-12.05,;3.84,-12.69,;3.66,-14.22,;4.79,-15.27,;6.26,-14.81,;4.45,-16.77,;5.58,-17.81,;5.25,-19.32,;6.38,-20.36,;6.04,-21.86,;7.17,-22.91,;6.83,-24.41,;2.15,-14.53,;1.36,-15.85,;-.18,-15.83,;-.93,-14.49,;-.15,-13.16,;1.39,-13.18,;2.99,-8.01,;4.15,-7,;5.61,-7.49,;3.85,-5.49,;2.39,-4.99,;2.09,-3.48,;.63,-2.99,;.32,-1.48,;-.53,-4.01,;-1.89,-3.47,;-3.39,-4.13,;-3.19,-5.54,;-1.63,-4.87,;-1.36,-2.93,;-1.82,-1.8,;-.23,-5.52,;1.23,-6.01,;1.53,-7.52,)| Show InChI InChI=1S/C47H57N7O6/c1-52(29-32-16-8-5-9-17-32)46(59)38(26-31-14-6-4-7-15-31)50-44(57)37(27-34-30-53(40-19-12-11-18-36(34)40)42(56)20-10-2-3-13-25-48)49-41(55)28-39-47(60)54-35-23-21-33(22-24-35)43(54)45(58)51-39/h4-9,11-12,14-19,30,33,35,37-39,43H,2-3,10,13,20-29,48H2,1H3,(H,49,55)(H,50,57)(H,51,58)/p+1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 188 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Tested for binding affinity against rat NK-2 receptor |
J Med Chem 36: 1654-61 (1993)
BindingDB Entry DOI: 10.7270/Q25M66BM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50001450
((SP)Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH...)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#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]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ P. et M. Curie
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes |
J Med Chem 37: 1586-601 (1994)
BindingDB Entry DOI: 10.7270/Q2571CN1 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50045039
(6-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethy...)Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)OCCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O |r,wU:51.54,47.50,22.24,wD:11.12,THB:49:51:54.53:56.57,(11.28,-9.71,;10.14,-8.66,;11.3,-7.64,;12.76,-8.14,;13.92,-7.12,;15.38,-7.61,;15.68,-9.13,;14.52,-10.14,;13.06,-9.65,;8.69,-8.17,;8.38,-6.66,;7.53,-9.18,;7.83,-10.69,;9.29,-11.19,;10.45,-10.17,;11.91,-10.66,;12.21,-12.17,;11.05,-13.19,;9.59,-12.7,;6.07,-8.69,;4.91,-9.71,;5.22,-11.22,;3.46,-9.21,;2.3,-10.23,;2.6,-11.74,;4,-12.38,;3.82,-13.91,;4.95,-14.96,;6.42,-14.5,;4.61,-16.46,;5.75,-17.5,;5.41,-19.01,;6.54,-20.05,;6.2,-21.55,;7.33,-22.6,;6.99,-24.1,;8.13,-25.14,;2.31,-14.22,;1.52,-15.54,;-.02,-15.52,;-.77,-14.18,;.02,-12.85,;1.56,-12.87,;3.15,-7.7,;4.31,-6.69,;5.77,-7.18,;4.01,-5.18,;2.55,-4.68,;2.25,-3.17,;.79,-2.68,;.49,-1.17,;-.37,-3.7,;-1.73,-3.16,;-3.23,-3.82,;-3.03,-5.23,;-1.46,-4.56,;-1.2,-2.62,;-1.66,-1.49,;-.07,-5.21,;1.39,-5.7,;1.69,-7.21,)| Show InChI InChI=1S/C47H57N7O7/c1-52(29-32-16-8-5-9-17-32)45(58)38(26-31-14-6-4-7-15-31)50-43(56)37(49-41(55)28-39-46(59)54-35-22-20-33(21-23-35)42(54)44(57)51-39)27-34-30-53(40-19-11-10-18-36(34)40)47(60)61-25-13-3-2-12-24-48/h4-11,14-19,30,33,35,37-39,42H,2-3,12-13,20-29,48H2,1H3,(H,49,55)(H,50,56)(H,51,57)/p+1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 244 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Tested for binding affinity against rat NK-2 receptor |
J Med Chem 36: 1654-61 (1993)
BindingDB Entry DOI: 10.7270/Q25M66BM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50407162
(CHEMBL2115375)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)[C@H]1CCc2ccccc12)C(N)=O Show InChI InChI=1S/C65H100N18O13S/c1-37(2)34-47(59(91)76-43(55(70)87)28-33-97-3)75-53(86)36-74-56(88)48(35-38-14-5-4-6-15-38)80-62(94)54(41-23-22-39-16-7-8-17-40(39)41)81-58(90)45(25-27-52(69)85)77-57(89)44(24-26-51(68)84)78-60(92)50-21-13-32-83(50)64(96)46(19-9-10-29-66)79-61(93)49-20-12-31-82(49)63(95)42(67)18-11-30-73-65(71)72/h4-8,14-17,37,41-50,54H,9-13,18-36,66-67H2,1-3H3,(H2,68,84)(H2,69,85)(H2,70,87)(H,74,88)(H,75,86)(H,76,91)(H,77,89)(H,78,92)(H,79,93)(H,80,94)(H,81,90)(H4,71,72,73)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50+,54-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ P. et M. Curie
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes |
J Med Chem 37: 1586-601 (1994)
BindingDB Entry DOI: 10.7270/Q2571CN1 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50045035
(4-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethy...)Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCC(O)=O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O |r,wU:48.51,11.11,44.47,wD:22.24,THB:46:48:51.50:53.54,(10.95,-12.84,;9.79,-13.85,;10.1,-15.36,;11.55,-15.86,;11.86,-17.37,;13.32,-17.86,;14.47,-16.84,;14.17,-15.33,;12.71,-14.84,;8.33,-13.36,;7.18,-14.38,;8.03,-11.85,;9.19,-10.83,;8.89,-9.32,;10.04,-8.31,;9.74,-6.8,;8.28,-6.3,;7.13,-7.32,;7.43,-8.83,;6.49,-11.83,;5.74,-10.49,;6.52,-9.16,;4.2,-10.47,;3.45,-9.13,;4.23,-7.8,;5.76,-7.66,;6.1,-6.16,;7.52,-5.55,;8.98,-6.04,;7.7,-4.02,;9.11,-3.41,;9.29,-1.88,;8.06,-.96,;10.7,-1.27,;4.78,-5.37,;4.48,-3.86,;3.02,-3.37,;1.86,-4.38,;2.16,-5.89,;3.62,-6.39,;3.41,-11.79,;1.87,-11.78,;1.12,-10.43,;1.09,-13.1,;-.45,-13.08,;-1.21,-11.74,;-2.75,-11.72,;-3.5,-10.38,;-3.53,-13.04,;-4.99,-12.96,;-6.22,-14.05,;-5.59,-15.32,;-4.31,-14.2,;-4.66,-12.28,;-5.44,-11.34,;-2.78,-14.39,;-1.24,-14.41,;-.48,-15.75,)| Show InChI InChI=1S/C44H48N6O8/c1-48(25-28-12-6-3-7-13-28)43(57)34(22-27-10-4-2-5-11-27)46-41(55)33(23-30-26-49(38(52)20-21-39(53)54)36-15-9-8-14-32(30)36)45-37(51)24-35-44(58)50-31-18-16-29(17-19-31)40(50)42(56)47-35/h2-15,26,29,31,33-35,40H,16-25H2,1H3,(H,45,51)(H,46,55)(H,47,56)(H,53,54) | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 388 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Tested for binding affinity against rat NK-2 receptor |
J Med Chem 36: 1654-61 (1993)
BindingDB Entry DOI: 10.7270/Q25M66BM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50030157
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Hph-Gly-Leu-Met | CHEM...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(N)=O Show InChI InChI=1S/C64H100N18O13S/c1-38(2)35-47(58(90)75-42(54(69)86)29-34-96-3)74-53(85)37-73-55(87)43(24-23-39-15-6-4-7-16-39)76-59(91)48(36-40-17-8-5-9-18-40)80-57(89)44(25-27-51(67)83)77-56(88)45(26-28-52(68)84)78-60(92)50-22-14-33-82(50)63(95)46(20-10-11-30-65)79-61(93)49-21-13-32-81(49)62(94)41(66)19-12-31-72-64(70)71/h4-9,15-18,38,41-50H,10-14,19-37,65-66H2,1-3H3,(H2,67,83)(H2,68,84)(H2,69,86)(H,73,87)(H,74,85)(H,75,90)(H,76,91)(H,77,88)(H,78,92)(H,79,93)(H,80,89)(H4,70,71,72)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50+/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ P. et M. Curie
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes |
J Med Chem 37: 1586-601 (1994)
BindingDB Entry DOI: 10.7270/Q2571CN1 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50045032
(CHEMBL3144353 | N-Benzyl-2-[2-[2-(3,6-dioxo-2,5-di...)Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O |r,wU:42.45,38.41,wD:22.24,11.12,THB:40:42:45.44:47.48,(10.71,-11.65,;10.41,-10.14,;11.57,-9.13,;13.03,-9.62,;14.18,-8.6,;15.64,-9.1,;15.94,-10.61,;14.79,-11.62,;13.33,-11.13,;8.95,-9.65,;8.65,-8.14,;7.8,-10.67,;8.1,-12.18,;6.94,-13.19,;7.24,-14.7,;6.09,-15.72,;4.63,-15.23,;4.33,-13.72,;5.48,-12.7,;6.34,-10.17,;5.18,-11.19,;4.54,-12.59,;3.72,-10.7,;3.42,-9.19,;4.58,-8.17,;6.08,-8.51,;6.87,-7.18,;8.4,-7.04,;5.85,-6.03,;6.03,-4.5,;4.79,-3.58,;3.38,-4.19,;3.2,-5.72,;4.43,-6.64,;2.56,-11.71,;1.11,-11.22,;.8,-9.71,;-.05,-12.24,;-1.51,-11.74,;-1.81,-10.23,;-3.27,-9.74,;-3.57,-8.23,;-4.43,-10.76,;-5.79,-10.22,;-7.29,-10.88,;-7.09,-12.29,;-5.52,-11.62,;-5.26,-9.68,;-5.72,-8.55,;-4.12,-12.27,;-2.67,-12.76,;-2.36,-14.27,)| Show InChI InChI=1S/C41H46N6O5/c1-45-25-29(31-15-9-10-16-35(31)45)22-32(42-36(48)23-34-41(52)47-30-19-17-28(18-20-30)37(47)39(50)44-34)38(49)43-33(21-26-11-5-3-6-12-26)40(51)46(2)24-27-13-7-4-8-14-27/h3-16,25,28,30,32-34,37H,17-24H2,1-2H3,(H,42,48)(H,43,49)(H,44,50) | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 489 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Tested for binding affinity against rat NK-2 receptor transfected on CHO cells using [125I]-His] NKA as radioligand |
J Med Chem 36: 1654-61 (1993)
BindingDB Entry DOI: 10.7270/Q25M66BM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50030165
(Arg-Pro-Lys-Pro-Gln-Gln-Tic-Phe-Gly-Leu-Met | CHEM...)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#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]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O Show InChI InChI=1S/C64H98N18O13S/c1-37(2)32-46(57(89)75-42(54(69)86)26-31-96-3)74-53(85)35-73-55(87)47(33-38-14-5-4-6-15-38)79-60(92)50-34-39-16-7-8-17-40(39)36-82(50)63(95)45(23-25-52(68)84)77-56(88)43(22-24-51(67)83)76-58(90)49-21-13-30-81(49)62(94)44(19-9-10-27-65)78-59(91)48-20-12-29-80(48)61(93)41(66)18-11-28-72-64(70)71/h4-8,14-17,37,41-50H,9-13,18-36,65-66H2,1-3H3,(H2,67,83)(H2,68,84)(H2,69,86)(H,73,87)(H,74,85)(H,75,89)(H,76,90)(H,77,88)(H,78,91)(H,79,92)(H4,70,71,72)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ P. et M. Curie
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes |
J Med Chem 37: 1586-601 (1994)
BindingDB Entry DOI: 10.7270/Q2571CN1 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50407163
(CHEMBL2114442)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)[C@@H]1CCc2ccccc12)C(N)=O Show InChI InChI=1S/C65H100N18O13S/c1-37(2)34-47(59(91)76-43(55(70)87)28-33-97-3)75-53(86)36-74-56(88)48(35-38-14-5-4-6-15-38)80-62(94)54(41-23-22-39-16-7-8-17-40(39)41)81-58(90)45(25-27-52(69)85)77-57(89)44(24-26-51(68)84)78-60(92)50-21-13-32-83(50)64(96)46(19-9-10-29-66)79-61(93)49-20-12-31-82(49)63(95)42(67)18-11-30-73-65(71)72/h4-8,14-17,37,41-50,54H,9-13,18-36,66-67H2,1-3H3,(H2,68,84)(H2,69,85)(H2,70,87)(H,74,88)(H,75,86)(H,76,91)(H,77,89)(H,78,92)(H,79,93)(H,80,94)(H,81,90)(H4,71,72,73)/t41-,42+,43+,44+,45+,46+,47+,48+,49+,50-,54+/m1/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ P. et M. Curie
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes |
J Med Chem 37: 1586-601 (1994)
BindingDB Entry DOI: 10.7270/Q2571CN1 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50323867
((S)-1-((3S,8R,14S,17S,22aS)-8-((S)-2-amino-3-(4-hy...)Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C72H90F6N12O11S2/c1-8-9-20-51-67(100)89-28-15-23-56(89)65(98)88-59(70(6,7)103-102-69(4,5)58(87-60(93)49(79)33-42-24-26-47(91)27-25-42)66(99)82-39-57(92)83-53(63(96)84-51)34-41-17-11-10-12-18-41)68(101)90-29-16-22-55(90)64(97)86-52(30-40(2)3)62(95)85-54(35-44-38-80-50-21-14-13-19-48(44)50)61(94)81-37-43-31-45(71(73,74)75)36-46(32-43)72(76,77)78/h10-14,17-19,21,24-27,31-32,36,38,40,49,51-56,58-59,80,91H,8-9,15-16,20,22-23,28-30,33-35,37,39,79H2,1-7H3,(H,81,94)(H,82,99)(H,83,92)(H,84,96)(H,85,95)(H,86,97)(H,87,93)(H,88,98)/t49-,51-,52-,53-,54-,55-,56-,58+,59-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 661 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]substance P frome rat NK2 receptor |
J Med Chem 53: 5491-501 (2010)
Article DOI: 10.1021/jm100157m
BindingDB Entry DOI: 10.7270/Q21N81BD |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50030160
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Dip-Gly-Leu-Met | CHEM...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(c1ccccc1)c1ccccc1)C(N)=O Show InChI InChI=1S/C69H102N18O13S/c1-41(2)38-50(62(94)80-46(59(74)91)32-37-101-3)79-56(90)40-78-66(98)58(57(43-20-9-5-10-21-43)44-22-11-6-12-23-44)85-63(95)51(39-42-18-7-4-8-19-42)84-61(93)47(28-30-54(72)88)81-60(92)48(29-31-55(73)89)82-64(96)53-27-17-36-87(53)68(100)49(25-13-14-33-70)83-65(97)52-26-16-35-86(52)67(99)45(71)24-15-34-77-69(75)76/h4-12,18-23,41,45-53,57-58H,13-17,24-40,70-71H2,1-3H3,(H2,72,88)(H2,73,89)(H2,74,91)(H,78,98)(H,79,90)(H,80,94)(H,81,92)(H,82,96)(H,83,97)(H,84,93)(H,85,95)(H4,75,76,77)/t45-,46-,47-,48-,49-,50-,51-,52-,53+,58-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ P. et M. Curie
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes |
J Med Chem 37: 1586-601 (1994)
BindingDB Entry DOI: 10.7270/Q2571CN1 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50030152
(Arg-Pro-Lys-Pro-Gln-Gln-Flg-Phe-Gly-Leu-Met | CHEM...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C1c2ccccc2-c2ccccc12)C(N)=O Show InChI InChI=1S/C69H100N18O13S/c1-39(2)36-50(63(95)80-46(59(74)91)30-35-101-3)79-56(90)38-78-60(92)51(37-40-16-5-4-6-17-40)84-66(98)58(57-43-20-9-7-18-41(43)42-19-8-10-21-44(42)57)85-62(94)48(27-29-55(73)89)81-61(93)47(26-28-54(72)88)82-64(96)53-25-15-34-87(53)68(100)49(23-11-12-31-70)83-65(97)52-24-14-33-86(52)67(99)45(71)22-13-32-77-69(75)76/h4-10,16-21,39,45-53,57-58H,11-15,22-38,70-71H2,1-3H3,(H2,72,88)(H2,73,89)(H2,74,91)(H,78,92)(H,79,90)(H,80,95)(H,81,93)(H,82,96)(H,83,97)(H,84,98)(H,85,94)(H4,75,76,77)/t45-,46-,47-,48-,49-,50-,51-,52-,53+,58-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ P. et M. Curie
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes |
J Med Chem 37: 1586-601 (1994)
BindingDB Entry DOI: 10.7270/Q2571CN1 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50045033
(1N-[1-[1-benzyl(methyl)carbamoyl-2-phenyl-(1S)-eth...)Show SMILES CC(O)[C@H](NC(C)=O)C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1 Show InChI InChI=1S/C35H39N5O6/c1-23(42)32(36-24(2)43)34(45)37-29(19-27-21-40(22-41)31-17-11-10-16-28(27)31)33(44)38-30(18-25-12-6-4-7-13-25)35(46)39(3)20-26-14-8-5-9-15-26/h4-17,21-23,29-30,32,42H,18-20H2,1-3H3,(H,36,43)(H,37,45)(H,38,44)/t23?,29-,30+,32+/m1/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 824 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherches Servier
Curated by ChEMBL
| Assay Description
Tested for the binding affinity against rat neurokinin-2 (NK-2) receptor transfected on CHO cells using [125I]-His] NKA as radioligand |
J Med Chem 36: 1654-61 (1993)
BindingDB Entry DOI: 10.7270/Q25M66BM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50030155
(Arg-Pro-Lys-Pro-Gln-Gln-deltaZPhe-Phe-Gly-Leu-Met ...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)C(NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)=Cc1ccccc1)C(N)=O |w:85.88| Show InChI InChI=1S/C63H96N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,35,37,40-46,48-49H,10-14,19-34,36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,48-,49+/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 950 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ P. et M. Curie
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes |
J Med Chem 37: 1586-601 (1994)
BindingDB Entry DOI: 10.7270/Q2571CN1 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50030164
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Flg-Pro-Leu-Met | CHEM...)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#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]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1-c2ccccc2-c2ccccc-12)-[#6](-[#7])=O Show InChI InChI=1S/C72H104N18O13S/c1-41(2)39-52(64(96)81-48(61(77)93)32-38-104-3)86-68(100)56-27-16-37-90(56)71(103)60(59-45-21-9-7-19-43(45)44-20-8-10-22-46(44)59)87-65(97)53(40-42-17-5-4-6-18-42)85-63(95)49(28-30-57(75)91)82-62(94)50(29-31-58(76)92)83-66(98)55-26-15-36-89(55)70(102)51(24-11-12-33-73)84-67(99)54-25-14-35-88(54)69(101)47(74)23-13-34-80-72(78)79/h4-10,17-22,41,47-56,59-60H,11-16,23-40,73-74H2,1-3H3,(H2,75,91)(H2,76,92)(H2,77,93)(H,81,96)(H,82,94)(H,83,98)(H,84,99)(H,85,95)(H,86,100)(H,87,97)(H4,78,79,80)/t47-,48+,49-,50-,51-,52-,53-,54-,55-,56-,60-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ P. et M. Curie
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes |
J Med Chem 37: 1586-601 (1994)
BindingDB Entry DOI: 10.7270/Q2571CN1 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50002462
(1,3-Diethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-indo...)Show SMILES CCn1c(\C=C\C=C2/N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc12 Show InChI InChI=1S/C27H30N5/c1-6-31-24(32(7-2)26-25(31)28-20-14-9-10-15-21(20)29-26)18-12-17-23-27(3,4)19-13-8-11-16-22(19)30(23)5/h8-18H,6-7H2,1-5H3/q+1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rochester
Curated by ChEMBL
| Assay Description
Binding affinity of compound was evaluated towards tachykinin receptor 2 by using radioligand ([125I]-NKA in rat duodenum |
J Med Chem 34: 1751-3 (1991)
BindingDB Entry DOI: 10.7270/Q2JQ11MP |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50030147
(Arg-Pro-Lys-Pro-Gln-Gln-2Ing-Phe-Gly-Leu-Met | CHE...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C1Cc2ccccc2C1)C(N)=O Show InChI InChI=1S/C65H100N18O13S/c1-37(2)32-47(59(91)76-43(55(70)87)26-31-97-3)75-53(86)36-74-56(88)48(33-38-14-5-4-6-15-38)80-62(94)54(41-34-39-16-7-8-17-40(39)35-41)81-58(90)45(23-25-52(69)85)77-57(89)44(22-24-51(68)84)78-60(92)50-21-13-30-83(50)64(96)46(19-9-10-27-66)79-61(93)49-20-12-29-82(49)63(95)42(67)18-11-28-73-65(71)72/h4-8,14-17,37,41-50,54H,9-13,18-36,66-67H2,1-3H3,(H2,68,84)(H2,69,85)(H2,70,87)(H,74,88)(H,75,86)(H,76,91)(H,77,89)(H,78,92)(H,79,93)(H,80,94)(H,81,90)(H4,71,72,73)/t42-,43-,44-,45-,46-,47-,48-,49-,50+,54-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ P. et M. Curie
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes |
J Med Chem 37: 1586-601 (1994)
BindingDB Entry DOI: 10.7270/Q2571CN1 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50030159
(Arg-Pro-Lys-Pro-Gln-Gln-Hph-Phe-Gly-Leu-Met | CHEM...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(N)=O Show InChI InChI=1S/C64H100N18O13S/c1-38(2)35-47(59(91)75-42(54(69)86)29-34-96-3)74-53(85)37-73-55(87)48(36-40-17-8-5-9-18-40)80-58(90)43(24-23-39-15-6-4-7-16-39)76-56(88)44(25-27-51(67)83)77-57(89)45(26-28-52(68)84)78-60(92)50-22-14-33-82(50)63(95)46(20-10-11-30-65)79-61(93)49-21-13-32-81(49)62(94)41(66)19-12-31-72-64(70)71/h4-9,15-18,38,41-50H,10-14,19-37,65-66H2,1-3H3,(H2,67,83)(H2,68,84)(H2,69,86)(H,73,87)(H,74,85)(H,75,91)(H,76,88)(H,77,89)(H,78,92)(H,79,93)(H,80,90)(H4,70,71,72)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50+/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ P. et M. Curie
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes |
J Med Chem 37: 1586-601 (1994)
BindingDB Entry DOI: 10.7270/Q2571CN1 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50030150
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Dip-Pro-Leu-Met | CHEM...)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#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]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-c1ccccc1)-c1ccccc1)-[#6](-[#7])=O Show InChI InChI=1S/C72H106N18O13S/c1-43(2)41-52(64(96)81-48(61(77)93)34-40-104-3)86-68(100)56-29-18-39-90(56)71(103)60(59(45-21-9-5-10-22-45)46-23-11-6-12-24-46)87-65(97)53(42-44-19-7-4-8-20-44)85-63(95)49(30-32-57(75)91)82-62(94)50(31-33-58(76)92)83-66(98)55-28-17-38-89(55)70(102)51(26-13-14-35-73)84-67(99)54-27-16-37-88(54)69(101)47(74)25-15-36-80-72(78)79/h4-12,19-24,43,47-56,59-60H,13-18,25-42,73-74H2,1-3H3,(H2,75,91)(H2,76,92)(H2,77,93)(H,81,96)(H,82,94)(H,83,98)(H,84,99)(H,85,95)(H,86,100)(H,87,97)(H4,78,79,80)/t47-,48+,49-,50-,51-,52-,53-,54-,55-,56-,60-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ P. et M. Curie
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes |
J Med Chem 37: 1586-601 (1994)
BindingDB Entry DOI: 10.7270/Q2571CN1 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50030156
(Arg-Pro-Lys-Pro-Gln-Gln-Dip-Phe-Gly-Leu-Met | CHEM...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(c1ccccc1)c1ccccc1)C(N)=O Show InChI InChI=1S/C69H102N18O13S/c1-41(2)38-50(63(95)80-46(59(74)91)32-37-101-3)79-56(90)40-78-60(92)51(39-42-18-7-4-8-19-42)84-66(98)58(57(43-20-9-5-10-21-43)44-22-11-6-12-23-44)85-62(94)48(29-31-55(73)89)81-61(93)47(28-30-54(72)88)82-64(96)53-27-17-36-87(53)68(100)49(25-13-14-33-70)83-65(97)52-26-16-35-86(52)67(99)45(71)24-15-34-77-69(75)76/h4-12,18-23,41,45-53,57-58H,13-17,24-40,70-71H2,1-3H3,(H2,72,88)(H2,73,89)(H2,74,91)(H,78,92)(H,79,90)(H,80,95)(H,81,93)(H,82,96)(H,83,97)(H,84,98)(H,85,94)(H4,75,76,77)/t45-,46-,47-,48-,49-,50-,51-,52-,53+,58-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ P. et M. Curie
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes |
J Med Chem 37: 1586-601 (1994)
BindingDB Entry DOI: 10.7270/Q2571CN1 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50030148
(Arg-Pro-Lys-Pro-Gln-Gln-[D-2Ing]-Phe-Gly-Leu-Met |...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C1Cc2ccccc2C1)C(N)=O Show InChI InChI=1S/C65H100N18O13S/c1-37(2)32-47(59(91)76-43(55(70)87)26-31-97-3)75-53(86)36-74-56(88)48(33-38-14-5-4-6-15-38)80-62(94)54(41-34-39-16-7-8-17-40(39)35-41)81-58(90)45(23-25-52(69)85)77-57(89)44(22-24-51(68)84)78-60(92)50-21-13-30-83(50)64(96)46(19-9-10-27-66)79-61(93)49-20-12-29-82(49)63(95)42(67)18-11-28-73-65(71)72/h4-8,14-17,37,41-50,54H,9-13,18-36,66-67H2,1-3H3,(H2,68,84)(H2,69,85)(H2,70,87)(H,74,88)(H,75,86)(H,76,91)(H,77,89)(H,78,92)(H,79,93)(H,80,94)(H,81,90)(H4,71,72,73)/t42-,43-,44-,45-,46-,47-,48-,49-,50+,54+/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ P. et M. Curie
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes |
J Med Chem 37: 1586-601 (1994)
BindingDB Entry DOI: 10.7270/Q2571CN1 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50030155
(Arg-Pro-Lys-Pro-Gln-Gln-deltaZPhe-Phe-Gly-Leu-Met ...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)C(NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)=Cc1ccccc1)C(N)=O |w:85.88| Show InChI InChI=1S/C63H96N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,35,37,40-46,48-49H,10-14,19-34,36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,48-,49+/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ P. et M. Curie
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes |
J Med Chem 37: 1586-601 (1994)
BindingDB Entry DOI: 10.7270/Q2571CN1 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50030161
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Pro-Leu-Met | CHEM...)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#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]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O Show InChI InChI=1S/C66H102N18O13S/c1-39(2)36-47(58(90)75-43(55(71)87)29-35-98-3)80-62(94)52-24-15-34-84(52)65(97)49(38-41-18-8-5-9-19-41)81-59(91)48(37-40-16-6-4-7-17-40)79-57(89)44(25-27-53(69)85)76-56(88)45(26-28-54(70)86)77-60(92)51-23-14-33-83(51)64(96)46(21-10-11-30-67)78-61(93)50-22-13-32-82(50)63(95)42(68)20-12-31-74-66(72)73/h4-9,16-19,39,42-52H,10-15,20-38,67-68H2,1-3H3,(H2,69,85)(H2,70,86)(H2,71,87)(H,75,90)(H,76,88)(H,77,92)(H,78,93)(H,79,89)(H,80,94)(H,81,91)(H4,72,73,74)/t42-,43+,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ P. et M. Curie
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes |
J Med Chem 37: 1586-601 (1994)
BindingDB Entry DOI: 10.7270/Q2571CN1 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Rattus norvegicus (Rat)) | BDBM50030168
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Tic-Gly-Leu-Met | CHEM...)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#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]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O Show InChI InChI=1S/C64H98N18O13S/c1-37(2)32-46(57(89)75-42(54(69)86)26-31-96-3)74-53(85)35-73-58(90)50-34-39-16-7-8-17-40(39)36-82(50)63(95)47(33-38-14-5-4-6-15-38)79-56(88)43(22-24-51(67)83)76-55(87)44(23-25-52(68)84)77-59(91)49-21-13-30-81(49)62(94)45(19-9-10-27-65)78-60(92)48-20-12-29-80(48)61(93)41(66)18-11-28-72-64(70)71/h4-8,14-17,37,41-50H,9-13,18-36,65-66H2,1-3H3,(H2,67,83)(H2,68,84)(H2,69,86)(H,73,90)(H,74,85)(H,75,89)(H,76,87)(H,77,91)(H,78,92)(H,79,88)(H4,70,71,72)/t41-,42+,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ P. et M. Curie
Curated by ChEMBL
| Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes |
J Med Chem 37: 1586-601 (1994)
BindingDB Entry DOI: 10.7270/Q2571CN1 |
More data for this
Ligand-Target Pair | |
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