Found 288 hits with Last Name = 'giolitti' and Initial = 'a' 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 |
|---|
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476247
(CHEMBL224081)Show SMILES [O-][S+]1CCC(CC1)N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O |r,wU:27.30,13.14,wD:38.42,8.8,(8.17,-3.99,;8.18,-5.53,;9.51,-6.29,;9.52,-7.83,;8.19,-8.6,;6.85,-7.85,;6.84,-6.3,;8.2,-10.14,;6.87,-10.92,;6.83,-12.46,;5.44,-13.07,;4.09,-12.32,;5.39,-14.62,;4.32,-15.41,;4.27,-16.95,;2.9,-17.67,;1.52,-17,;.45,-18.1,;1.17,-19.46,;.64,-20.9,;1.62,-22.08,;3.14,-21.81,;3.67,-20.37,;2.68,-19.2,;3.06,-14.51,;3.09,-12.97,;1.85,-15.46,;.45,-14.76,;-.87,-15.56,;-2.2,-14.79,;-2.2,-13.25,;-3.53,-12.48,;-4.87,-13.25,;-4.86,-14.8,;-3.52,-15.56,;.49,-13.23,;-.78,-12.36,;1.91,-12.63,;1.71,-11.09,;.39,-10.29,;.43,-8.75,;1.78,-8.02,;1.81,-6.48,;.5,-5.68,;-.86,-6.42,;-.89,-7.96,;3.03,-10.3,;4.29,-11.19,;5.48,-10.23,;5.52,-8.69,)| Show InChI InChI=1S/C38H44N6O5S/c45-35-22-34(41-28-15-17-50(49)18-16-28)36(46)40-24-29(19-25-9-3-1-4-10-25)42-37(47)32(20-26-11-5-2-6-12-26)44-38(48)33(43-35)21-27-23-39-31-14-8-7-13-30(27)31/h1-14,23,28-29,32-34,39,41H,15-22,24H2,(H,40,46)(H,42,47)(H,43,45)(H,44,48)/t28?,29-,32+,33+,34-,50?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells |
J Med Chem 47: 6935-47 (2004)
Article DOI: 10.1021/jm040832y
BindingDB Entry DOI: 10.7270/Q2T43WVJ |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476235
(CHEMBL436981)Show SMILES NS(=O)(=O)N1CCC(CC1)N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O |r| Show InChI InChI=1S/C38H46N8O6S/c39-53(51,52)46-17-15-28(16-18-46)42-34-22-35(47)44-33(21-27-23-40-31-14-8-7-13-30(27)31)38(50)45-32(20-26-11-5-2-6-12-26)37(49)43-29(24-41-36(34)48)19-25-9-3-1-4-10-25/h1-14,23,28-29,32-34,40,42H,15-22,24H2,(H,41,48)(H,43,49)(H,44,47)(H,45,50)(H2,39,51,52)/t29-,32+,33+,34-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells |
J Med Chem 47: 6935-47 (2004)
Article DOI: 10.1021/jm040832y
BindingDB Entry DOI: 10.7270/Q2T43WVJ |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476788
(CHEMBL243711)Show SMILES Clc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC1CCN(CC2CCOCC2)CC1 Show InChI InChI=1S/C36H45ClN4O4S/c37-29-9-8-28-21-32(46-31(28)22-29)34(43)40-36(14-4-5-15-36)35(44)39-30(20-25-6-2-1-3-7-25)33(42)38-23-26-10-16-41(17-11-26)24-27-12-18-45-19-13-27/h1-3,6-9,21-22,26-27,30H,4-5,10-20,23-24H2,(H,38,42)(H,39,44)(H,40,43)/t30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0525 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.a.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human recombinant NK2 receptor |
J Med Chem 50: 4793-807 (2007)
Article DOI: 10.1021/jm070289w
BindingDB Entry DOI: 10.7270/Q2CR5X4G |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476771
(CHEMBL244362)Show SMILES Brc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC1CCN(CC2CCOCC2)CC1 Show InChI InChI=1S/C36H45BrN4O4S/c37-29-9-8-28-21-32(46-31(28)22-29)34(43)40-36(14-4-5-15-36)35(44)39-30(20-25-6-2-1-3-7-25)33(42)38-23-26-10-16-41(17-11-26)24-27-12-18-45-19-13-27/h1-3,6-9,21-22,26-27,30H,4-5,10-20,23-24H2,(H,38,42)(H,39,44)(H,40,43)/t30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0575 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.a.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human recombinant NK2 receptor |
J Med Chem 50: 4793-807 (2007)
Article DOI: 10.1021/jm070289w
BindingDB Entry DOI: 10.7270/Q2CR5X4G |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476748
(CHEMBL395972)Show SMILES FC(F)(F)c1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC1CCN(CC2CCOCC2)CC1 Show InChI InChI=1S/C37H45F3N4O4S/c38-37(39,40)29-9-8-28-21-32(49-31(28)22-29)34(46)43-36(14-4-5-15-36)35(47)42-30(20-25-6-2-1-3-7-25)33(45)41-23-26-10-16-44(17-11-26)24-27-12-18-48-19-13-27/h1-3,6-9,21-22,26-27,30H,4-5,10-20,23-24H2,(H,41,45)(H,42,47)(H,43,46)/t30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0603 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.a.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human recombinant NK2 receptor |
J Med Chem 50: 4793-807 (2007)
Article DOI: 10.1021/jm070289w
BindingDB Entry DOI: 10.7270/Q2CR5X4G |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476221
(CHEMBL387506)Show SMILES O=C1C[C@@H](NC2CCOCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 |r| Show InChI InChI=1S/C38H44N6O5/c45-35-22-34(41-28-15-17-49-18-16-28)36(46)40-24-29(19-25-9-3-1-4-10-25)42-37(47)32(20-26-11-5-2-6-12-26)44-38(48)33(43-35)21-27-23-39-31-14-8-7-13-30(27)31/h1-14,23,28-29,32-34,39,41H,15-22,24H2,(H,40,46)(H,42,47)(H,43,45)(H,44,48)/t29-,32+,33+,34-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells |
J Med Chem 47: 6935-47 (2004)
Article DOI: 10.1021/jm040832y
BindingDB Entry DOI: 10.7270/Q2T43WVJ |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476233
(CHEMBL439281)Show SMILES CS(=O)(=O)N1CCC(CC1)N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O |r| Show InChI InChI=1S/C39H47N7O6S/c1-53(51,52)46-18-16-29(17-19-46)42-35-23-36(47)44-34(22-28-24-40-32-15-9-8-14-31(28)32)39(50)45-33(21-27-12-6-3-7-13-27)38(49)43-30(25-41-37(35)48)20-26-10-4-2-5-11-26/h2-15,24,29-30,33-35,40,42H,16-23,25H2,1H3,(H,41,48)(H,43,49)(H,44,47)(H,45,50)/t30-,33+,34+,35-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells |
J Med Chem 47: 6935-47 (2004)
Article DOI: 10.1021/jm040832y
BindingDB Entry DOI: 10.7270/Q2T43WVJ |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476750
(Ibodutant | MEN-15596)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC1CCN(CC2CCOCC2)CC1 Show InChI InChI=1S/C37H48N4O4S/c1-26-9-10-30-23-33(46-32(30)21-26)35(43)40-37(15-5-6-16-37)36(44)39-31(22-27-7-3-2-4-8-27)34(42)38-24-28-11-17-41(18-12-28)25-29-13-19-45-20-14-29/h2-4,7-10,21,23,28-29,31H,5-6,11-20,22,24-25H2,1H3,(H,38,42)(H,39,44)(H,40,43)/t31-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 0.0759 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.a.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human recombinant NK2 receptor |
J Med Chem 50: 4793-807 (2007)
Article DOI: 10.1021/jm070289w
BindingDB Entry DOI: 10.7270/Q2CR5X4G |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476764
(CHEMBL395974)Show SMILES CCN(CC)c1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC1CCN(CC2CCOCC2)CC1 Show InChI InChI=1S/C40H55N5O4S/c1-3-45(4-2)33-13-12-32-25-36(50-35(32)26-33)38(47)43-40(18-8-9-19-40)39(48)42-34(24-29-10-6-5-7-11-29)37(46)41-27-30-14-20-44(21-15-30)28-31-16-22-49-23-17-31/h5-7,10-13,25-26,30-31,34H,3-4,8-9,14-24,27-28H2,1-2H3,(H,41,46)(H,42,48)(H,43,47)/t34-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0977 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.a.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human recombinant NK2 receptor |
J Med Chem 50: 4793-807 (2007)
Article DOI: 10.1021/jm070289w
BindingDB Entry DOI: 10.7270/Q2CR5X4G |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50472916
(CHEMBL223221 | MEN-11690)Show SMILES Clc1ccc(C[C@@H]2CNC(=O)CCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2)cc1Cl |r| Show InChI InChI=1S/C33H33Cl2N5O4/c34-25-11-10-21(15-26(25)35)14-23-19-37-30(41)12-13-31(42)39-29(17-22-18-36-27-9-5-4-8-24(22)27)33(44)40-28(32(43)38-23)16-20-6-2-1-3-7-20/h1-11,15,18,23,28-29,36H,12-14,16-17,19H2,(H,37,41)(H,38,43)(H,39,42)(H,40,44)/t23-,28+,29+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells |
J Med Chem 47: 6935-47 (2004)
Article DOI: 10.1021/jm040832y
BindingDB Entry DOI: 10.7270/Q2T43WVJ |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50472916
(CHEMBL223221 | MEN-11690)Show SMILES Clc1ccc(C[C@@H]2CNC(=O)CCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2)cc1Cl |r| Show InChI InChI=1S/C33H33Cl2N5O4/c34-25-11-10-21(15-26(25)35)14-23-19-37-30(41)12-13-31(42)39-29(17-22-18-36-27-9-5-4-8-24(22)27)33(44)40-28(32(43)38-23)16-20-6-2-1-3-7-20/h1-11,15,18,23,28-29,36H,12-14,16-17,19H2,(H,37,41)(H,38,43)(H,39,42)(H,40,44)/t23-,28+,29+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Inhibitory affinity constant (pKi) against tachykinin receptor 2 (NK-2R) using heterologous competition experiments |
J Med Chem 45: 3418-29 (2002)
Article DOI: 10.1021/jm011127h
BindingDB Entry DOI: 10.7270/Q2765J28 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476250
(CHEMBL389510)Show SMILES O=C1C[C@@H](NC2CCSCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 |r| Show InChI InChI=1S/C38H44N6O4S/c45-35-22-34(41-28-15-17-49-18-16-28)36(46)40-24-29(19-25-9-3-1-4-10-25)42-37(47)32(20-26-11-5-2-6-12-26)44-38(48)33(43-35)21-27-23-39-31-14-8-7-13-30(27)31/h1-14,23,28-29,32-34,39,41H,15-22,24H2,(H,40,46)(H,42,47)(H,43,45)(H,44,48)/t29-,32+,33+,34-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells |
J Med Chem 47: 6935-47 (2004)
Article DOI: 10.1021/jm040832y
BindingDB Entry DOI: 10.7270/Q2T43WVJ |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50472916
(CHEMBL223221 | MEN-11690)Show SMILES Clc1ccc(C[C@@H]2CNC(=O)CCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2)cc1Cl |r| Show InChI InChI=1S/C33H33Cl2N5O4/c34-25-11-10-21(15-26(25)35)14-23-19-37-30(41)12-13-31(42)39-29(17-22-18-36-27-9-5-4-8-24(22)27)33(44)40-28(32(43)38-23)16-20-6-2-1-3-7-20/h1-11,15,18,23,28-29,36H,12-14,16-17,19H2,(H,37,41)(H,38,43)(H,39,42)(H,40,44)/t23-,28+,29+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Binding affinity towards Tachykinin receptor 2 |
J Med Chem 43: 4041-4 (2000)
Article DOI: 10.1021/jm0010217
BindingDB Entry DOI: 10.7270/Q2Z322CV |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476219
(CHEMBL225297)Show SMILES NS(=O)(=O)N1CCN(CC(=O)N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1 |r| Show InChI InChI=1S/C39H47N9O7S/c40-56(54,55)48-17-15-47(16-18-48)25-36(50)45-34-22-35(49)44-33(21-28-23-41-31-14-8-7-13-30(28)31)39(53)46-32(20-27-11-5-2-6-12-27)38(52)43-29(24-42-37(34)51)19-26-9-3-1-4-10-26/h1-14,23,29,32-34,41H,15-22,24-25H2,(H,42,51)(H,43,52)(H,44,49)(H,45,50)(H,46,53)(H2,40,54,55)/t29-,32+,33+,34-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells |
J Med Chem 47: 6935-47 (2004)
Article DOI: 10.1021/jm040832y
BindingDB Entry DOI: 10.7270/Q2T43WVJ |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476754
(CHEMBL242626)Show SMILES O=C(CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)c1cc2ccccc2s1)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C36H40N6O4S/c43-32(42-22-20-41(21-23-42)31-14-6-9-18-37-31)15-19-38-33(44)28(24-26-10-2-1-3-11-26)39-35(46)36(16-7-8-17-36)40-34(45)30-25-27-12-4-5-13-29(27)47-30/h1-6,9-14,18,25,28H,7-8,15-17,19-24H2,(H,38,44)(H,39,46)(H,40,45)/t28-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.117 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.a.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human recombinant NK2 receptor |
J Med Chem 50: 4793-807 (2007)
Article DOI: 10.1021/jm070289w
BindingDB Entry DOI: 10.7270/Q2CR5X4G |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476251
(CHEMBL224003)Show SMILES CC(=O)N1CCN(CC1)[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O |r| Show InChI InChI=1S/C39H45N7O5/c1-26(47)45-16-18-46(19-17-45)35-23-36(48)43-34(22-29-24-40-32-15-9-8-14-31(29)32)38(50)44-33(21-28-12-6-3-7-13-28)37(49)42-30(25-41-39(35)51)20-27-10-4-2-5-11-27/h2-15,24,30,33-35,40H,16-23,25H2,1H3,(H,41,51)(H,42,49)(H,43,48)(H,44,50)/t30-,33+,34+,35-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells |
J Med Chem 47: 6935-47 (2004)
Article DOI: 10.1021/jm040832y
BindingDB Entry DOI: 10.7270/Q2T43WVJ |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476229
(CHEMBL224374)Show SMILES OC1CCN(CC(=O)N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1 |r| Show InChI InChI=1S/C40H47N7O6/c48-30-15-17-47(18-16-30)25-37(50)45-35-22-36(49)44-34(21-28-23-41-32-14-8-7-13-31(28)32)40(53)46-33(20-27-11-5-2-6-12-27)39(52)43-29(24-42-38(35)51)19-26-9-3-1-4-10-26/h1-14,23,29-30,33-35,41,48H,15-22,24-25H2,(H,42,51)(H,43,52)(H,44,49)(H,45,50)(H,46,53)/t29-,33+,34+,35-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells |
J Med Chem 47: 6935-47 (2004)
Article DOI: 10.1021/jm040832y
BindingDB Entry DOI: 10.7270/Q2T43WVJ |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476793
(CHEMBL394780)Show SMILES NS(=O)(=O)N1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC(=O)c2cc3ccccc3s2)CC1 Show InChI InChI=1S/C31H40N6O5S2/c32-44(41,42)37-19-17-36(18-20-37)16-8-15-33-28(38)25(21-23-9-2-1-3-10-23)34-30(40)31(13-6-7-14-31)35-29(39)27-22-24-11-4-5-12-26(24)43-27/h1-5,9-12,22,25H,6-8,13-21H2,(H,33,38)(H,34,40)(H,35,39)(H2,32,41,42)/t25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.132 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.a.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human recombinant NK2 receptor |
J Med Chem 50: 4793-807 (2007)
Article DOI: 10.1021/jm070289w
BindingDB Entry DOI: 10.7270/Q2CR5X4G |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476753
(CHEMBL395973)Show SMILES COc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC1CCN(CC2CCOCC2)CC1 Show InChI InChI=1S/C37H48N4O5S/c1-45-30-10-9-29-22-33(47-32(29)23-30)35(43)40-37(15-5-6-16-37)36(44)39-31(21-26-7-3-2-4-8-26)34(42)38-24-27-11-17-41(18-12-27)25-28-13-19-46-20-14-28/h2-4,7-10,22-23,27-28,31H,5-6,11-21,24-25H2,1H3,(H,38,42)(H,39,44)(H,40,43)/t31-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.141 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.a.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human recombinant NK2 receptor |
J Med Chem 50: 4793-807 (2007)
Article DOI: 10.1021/jm070289w
BindingDB Entry DOI: 10.7270/Q2CR5X4G |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476231
(CHEMBL225588)Show SMILES O=C(CN1CCC(CC1)N1CCOCC1)N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O |r| Show InChI InChI=1S/C44H54N8O6/c53-40-26-39(49-41(54)29-51-17-15-34(16-18-51)52-19-21-58-22-20-52)42(55)46-28-33(23-30-9-3-1-4-10-30)47-43(56)37(24-31-11-5-2-6-12-31)50-44(57)38(48-40)25-32-27-45-36-14-8-7-13-35(32)36/h1-14,27,33-34,37-39,45H,15-26,28-29H2,(H,46,55)(H,47,56)(H,48,53)(H,49,54)(H,50,57)/t33-,37+,38+,39-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells |
J Med Chem 47: 6935-47 (2004)
Article DOI: 10.1021/jm040832y
BindingDB Entry DOI: 10.7270/Q2T43WVJ |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50473829
(CHEMBL389459 | MEN-11995)Show SMILES O=C1C[C@@H](N2CCOCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 |r| Show InChI InChI=1S/C37H42N6O5/c44-34-22-33(43-15-17-48-18-16-43)37(47)39-24-28(19-25-9-3-1-4-10-25)40-35(45)31(20-26-11-5-2-6-12-26)42-36(46)32(41-34)21-27-23-38-30-14-8-7-13-29(27)30/h1-14,23,28,31-33,38H,15-22,24H2,(H,39,47)(H,40,45)(H,41,44)(H,42,46)/t28-,31+,32+,33-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells |
J Med Chem 47: 6935-47 (2004)
Article DOI: 10.1021/jm040832y
BindingDB Entry DOI: 10.7270/Q2T43WVJ |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476223
(CHEMBL413715)Show SMILES N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(Cl)c(Cl)c2)CNC1=O |r| Show InChI InChI=1S/C33H34Cl2N6O4/c34-24-11-10-20(13-25(24)35)12-22-18-38-31(43)26(36)16-30(42)40-29(15-21-17-37-27-9-5-4-8-23(21)27)33(45)41-28(32(44)39-22)14-19-6-2-1-3-7-19/h1-11,13,17,22,26,28-29,37H,12,14-16,18,36H2,(H,38,43)(H,39,44)(H,40,42)(H,41,45)/t22-,26-,28+,29+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells |
J Med Chem 47: 6935-47 (2004)
Article DOI: 10.1021/jm040832y
BindingDB Entry DOI: 10.7270/Q2T43WVJ |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476222
(CHEMBL266284)Show SMILES CN(C1CCOCC1)[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O |r| Show InChI InChI=1S/C39H46N6O5/c1-45(30-16-18-50-19-17-30)35-23-36(46)43-34(22-28-24-40-32-15-9-8-14-31(28)32)38(48)44-33(21-27-12-6-3-7-13-27)37(47)42-29(25-41-39(35)49)20-26-10-4-2-5-11-26/h2-15,24,29-30,33-35,40H,16-23,25H2,1H3,(H,41,49)(H,42,47)(H,43,46)(H,44,48)/t29-,33+,34+,35-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells |
J Med Chem 47: 6935-47 (2004)
Article DOI: 10.1021/jm040832y
BindingDB Entry DOI: 10.7270/Q2T43WVJ |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476244
(CHEMBL389511)Show SMILES O=C1C[C@@H](NC2CCS(=O)(=O)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 |r| Show InChI InChI=1S/C38H44N6O6S/c45-35-22-34(41-28-15-17-51(49,50)18-16-28)36(46)40-24-29(19-25-9-3-1-4-10-25)42-37(47)32(20-26-11-5-2-6-12-26)44-38(48)33(43-35)21-27-23-39-31-14-8-7-13-30(27)31/h1-14,23,28-29,32-34,39,41H,15-22,24H2,(H,40,46)(H,42,47)(H,43,45)(H,44,48)/t29-,32+,33+,34-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells |
J Med Chem 47: 6935-47 (2004)
Article DOI: 10.1021/jm040832y
BindingDB Entry DOI: 10.7270/Q2T43WVJ |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50473829
(CHEMBL389459 | MEN-11995)Show SMILES O=C1C[C@@H](N2CCOCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 |r| Show InChI InChI=1S/C37H42N6O5/c44-34-22-33(43-15-17-48-18-16-43)37(47)39-24-28(19-25-9-3-1-4-10-25)40-35(45)31(20-26-11-5-2-6-12-26)42-36(46)32(41-34)21-27-23-38-30-14-8-7-13-29(27)30/h1-14,23,28,31-33,38H,15-22,24H2,(H,39,47)(H,40,45)(H,41,44)(H,42,46)/t28-,31+,32+,33-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Inhibitory affinity constant (pKi) against tachykinin receptor 2 (NK-2R) using heterologous competition experiments |
J Med Chem 45: 3418-29 (2002)
Article DOI: 10.1021/jm011127h
BindingDB Entry DOI: 10.7270/Q2765J28 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476220
(CHEMBL225392)Show SMILES N[C@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(Cl)c(Cl)c2)CNC1=O |r| Show InChI InChI=1S/C33H34Cl2N6O4/c34-24-11-10-20(13-25(24)35)12-22-18-38-31(43)26(36)16-30(42)40-29(15-21-17-37-27-9-5-4-8-23(21)27)33(45)41-28(32(44)39-22)14-19-6-2-1-3-7-19/h1-11,13,17,22,26,28-29,37H,12,14-16,18,36H2,(H,38,43)(H,39,44)(H,40,42)(H,41,45)/t22-,26+,28+,29+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells |
J Med Chem 47: 6935-47 (2004)
Article DOI: 10.1021/jm040832y
BindingDB Entry DOI: 10.7270/Q2T43WVJ |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476236
(CHEMBL224009)Show SMILES O=C1C[C@@H](N2CCC(CC2)N2CCCCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 |r| Show InChI InChI=1S/C43H53N7O4/c51-40-27-39(50-22-18-34(19-23-50)49-20-10-3-11-21-49)43(54)45-29-33(24-30-12-4-1-5-13-30)46-41(52)37(25-31-14-6-2-7-15-31)48-42(53)38(47-40)26-32-28-44-36-17-9-8-16-35(32)36/h1-2,4-9,12-17,28,33-34,37-39,44H,3,10-11,18-27,29H2,(H,45,54)(H,46,52)(H,47,51)(H,48,53)/t33-,37+,38+,39-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells |
J Med Chem 47: 6935-47 (2004)
Article DOI: 10.1021/jm040832y
BindingDB Entry DOI: 10.7270/Q2T43WVJ |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476253
(CHEMBL389279)Show SMILES O=C1C[C@@H](N2CCC(CC2)N2CCOCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 |r| Show InChI InChI=1S/C42H51N7O5/c50-39-26-38(49-17-15-33(16-18-49)48-19-21-54-22-20-48)42(53)44-28-32(23-29-9-3-1-4-10-29)45-40(51)36(24-30-11-5-2-6-12-30)47-41(52)37(46-39)25-31-27-43-35-14-8-7-13-34(31)35/h1-14,27,32-33,36-38,43H,15-26,28H2,(H,44,53)(H,45,51)(H,46,50)(H,47,52)/t32-,36+,37+,38-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells |
J Med Chem 47: 6935-47 (2004)
Article DOI: 10.1021/jm040832y
BindingDB Entry DOI: 10.7270/Q2T43WVJ |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476256
(CHEMBL388626)Show SMILES CN1CCC(CC1)N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O |r| Show InChI InChI=1S/C39H47N7O4/c1-46-18-16-29(17-19-46)42-35-23-36(47)44-34(22-28-24-40-32-15-9-8-14-31(28)32)39(50)45-33(21-27-12-6-3-7-13-27)38(49)43-30(25-41-37(35)48)20-26-10-4-2-5-11-26/h2-15,24,29-30,33-35,40,42H,16-23,25H2,1H3,(H,41,48)(H,43,49)(H,44,47)(H,45,50)/t30-,33+,34+,35-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells |
J Med Chem 47: 6935-47 (2004)
Article DOI: 10.1021/jm040832y
BindingDB Entry DOI: 10.7270/Q2T43WVJ |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476766
(CHEMBL243496)Show SMILES O=C(NCC1CCN(CC2CCOCC2)CC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C36H46N4O4S/c41-33(37-24-27-12-18-40(19-13-27)25-28-14-20-44-21-15-28)30(22-26-8-2-1-3-9-26)38-35(43)36(16-6-7-17-36)39-34(42)32-23-29-10-4-5-11-31(29)45-32/h1-5,8-11,23,27-28,30H,6-7,12-22,24-25H2,(H,37,41)(H,38,43)(H,39,42)/t30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.224 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.a.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human recombinant NK2 receptor |
J Med Chem 50: 4793-807 (2007)
Article DOI: 10.1021/jm070289w
BindingDB Entry DOI: 10.7270/Q2CR5X4G |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476774
(CHEMBL395971)Show SMILES Fc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC1CCN(CC2CCOCC2)CC1 Show InChI InChI=1S/C36H45FN4O4S/c37-29-9-8-28-21-32(46-31(28)22-29)34(43)40-36(14-4-5-15-36)35(44)39-30(20-25-6-2-1-3-7-25)33(42)38-23-26-10-16-41(17-11-26)24-27-12-18-45-19-13-27/h1-3,6-9,21-22,26-27,30H,4-5,10-20,23-24H2,(H,38,42)(H,39,44)(H,40,43)/t30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.234 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.a.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human recombinant NK2 receptor |
J Med Chem 50: 4793-807 (2007)
Article DOI: 10.1021/jm070289w
BindingDB Entry DOI: 10.7270/Q2CR5X4G |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476230
(CHEMBL446450)Show SMILES [O-][S+]1CCN(CC1)C1CCN(CC(=O)N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1 |r| Show InChI InChI=1S/C44H54N8O6S/c53-40-26-39(49-41(54)29-51-17-15-34(16-18-51)52-19-21-59(58)22-20-52)42(55)46-28-33(23-30-9-3-1-4-10-30)47-43(56)37(24-31-11-5-2-6-12-31)50-44(57)38(48-40)25-32-27-45-36-14-8-7-13-35(32)36/h1-14,27,33-34,37-39,45H,15-26,28-29H2,(H,46,55)(H,47,56)(H,48,53)(H,49,54)(H,50,57)/t33-,37+,38+,39-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells |
J Med Chem 47: 6935-47 (2004)
Article DOI: 10.1021/jm040832y
BindingDB Entry DOI: 10.7270/Q2T43WVJ |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476248
(CHEMBL224494)Show SMILES Clc1ccc(C[C@@H]2CNC(=O)[C@@H](CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2)N2CCOCC2)cc1Cl |r| Show InChI InChI=1S/C37H40Cl2N6O5/c38-28-11-10-24(17-29(28)39)16-26-22-41-37(49)33(45-12-14-50-15-13-45)20-34(46)43-32(19-25-21-40-30-9-5-4-8-27(25)30)36(48)44-31(35(47)42-26)18-23-6-2-1-3-7-23/h1-11,17,21,26,31-33,40H,12-16,18-20,22H2,(H,41,49)(H,42,47)(H,43,46)(H,44,48)/t26-,31+,32+,33-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells |
J Med Chem 47: 6935-47 (2004)
Article DOI: 10.1021/jm040832y
BindingDB Entry DOI: 10.7270/Q2T43WVJ |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476765
(CHEMBL244566)Show SMILES Clc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C31H37ClN4O4S/c32-24-10-9-23-20-27(41-26(23)21-24)29(38)35-31(11-4-5-12-31)30(39)34-25(19-22-7-2-1-3-8-22)28(37)33-13-6-14-36-15-17-40-18-16-36/h1-3,7-10,20-21,25H,4-6,11-19H2,(H,33,37)(H,34,39)(H,35,38)/t25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.282 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.a.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human recombinant NK2 receptor |
J Med Chem 50: 4793-807 (2007)
Article DOI: 10.1021/jm070289w
BindingDB Entry DOI: 10.7270/Q2CR5X4G |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476260
(CHEMBL390168)Show SMILES [O-][S+]1CCN(CC(=O)N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1 |r| Show InChI InChI=1S/C39H45N7O6S/c47-35-22-34(44-36(48)25-46-15-17-53(52)18-16-46)37(49)41-24-29(19-26-9-3-1-4-10-26)42-38(50)32(20-27-11-5-2-6-12-27)45-39(51)33(43-35)21-28-23-40-31-14-8-7-13-30(28)31/h1-14,23,29,32-34,40H,15-22,24-25H2,(H,41,49)(H,42,50)(H,43,47)(H,44,48)(H,45,51)/t29-,32+,33+,34-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells |
J Med Chem 47: 6935-47 (2004)
Article DOI: 10.1021/jm040832y
BindingDB Entry DOI: 10.7270/Q2T43WVJ |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50473828
(CHEMBL116812 | MEN-11990)Show SMILES O=C(CN1CCOCC1)N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O Show InChI InChI=1S/C39H45N7O6/c47-35-22-34(44-36(48)25-46-15-17-52-18-16-46)37(49)41-24-29(19-26-9-3-1-4-10-26)42-38(50)32(20-27-11-5-2-6-12-27)45-39(51)33(43-35)21-28-23-40-31-14-8-7-13-30(28)31/h1-14,23,29,32-34,40H,15-22,24-25H2,(H,41,49)(H,42,50)(H,43,47)(H,44,48)(H,45,51)/t29-,32+,33+,34-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells |
J Med Chem 47: 6935-47 (2004)
Article DOI: 10.1021/jm040832y
BindingDB Entry DOI: 10.7270/Q2T43WVJ |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476238
(CHEMBL224426)Show SMILES OC[C@@H]1CCCN1CC(=O)N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O |r| Show InChI InChI=1S/C40H47N7O6/c48-25-30-14-9-17-47(30)24-37(50)45-35-21-36(49)44-34(20-28-22-41-32-16-8-7-15-31(28)32)40(53)46-33(19-27-12-5-2-6-13-27)39(52)43-29(23-42-38(35)51)18-26-10-3-1-4-11-26/h1-8,10-13,15-16,22,29-30,33-35,41,48H,9,14,17-21,23-25H2,(H,42,51)(H,43,52)(H,44,49)(H,45,50)(H,46,53)/t29-,30+,33+,34+,35-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells |
J Med Chem 47: 6935-47 (2004)
Article DOI: 10.1021/jm040832y
BindingDB Entry DOI: 10.7270/Q2T43WVJ |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50473828
(CHEMBL116812 | MEN-11990)Show SMILES O=C(CN1CCOCC1)N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O Show InChI InChI=1S/C39H45N7O6/c47-35-22-34(44-36(48)25-46-15-17-52-18-16-46)37(49)41-24-29(19-26-9-3-1-4-10-26)42-38(50)32(20-27-11-5-2-6-12-27)45-39(51)33(43-35)21-28-23-40-31-14-8-7-13-30(28)31/h1-14,23,29,32-34,40H,15-22,24-25H2,(H,41,49)(H,42,50)(H,43,47)(H,44,48)(H,45,51)/t29-,32+,33+,34-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Inhibitory affinity constant (pKi) against tachykinin receptor 2 (NK-2R) using heterologous competition experiments |
J Med Chem 45: 3418-29 (2002)
Article DOI: 10.1021/jm011127h
BindingDB Entry DOI: 10.7270/Q2765J28 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476770
(CHEMBL395975)Show SMILES Clc1cccc2cc(sc12)C(=O)NC1(CCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C31H37ClN4O4S/c32-24-11-6-10-23-21-26(41-27(23)24)29(38)35-31(12-4-5-13-31)30(39)34-25(20-22-8-2-1-3-9-22)28(37)33-14-7-15-36-16-18-40-19-17-36/h1-3,6,8-11,21,25H,4-5,7,12-20H2,(H,33,37)(H,34,39)(H,35,38)/t25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.372 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.a.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human recombinant NK2 receptor |
J Med Chem 50: 4793-807 (2007)
Article DOI: 10.1021/jm070289w
BindingDB Entry DOI: 10.7270/Q2CR5X4G |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476241
(CHEMBL223993)Show SMILES OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CN[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O |r| Show InChI InChI=1S/C39H48N6O9/c46-22-33(48)36(51)35(50)32(47)21-41-29-18-34(49)44-31(17-25-19-40-28-14-8-7-13-27(25)28)39(54)45-30(16-24-11-5-2-6-12-24)38(53)43-26(20-42-37(29)52)15-23-9-3-1-4-10-23/h1-14,19,26,29-33,35-36,40-41,46-48,50-51H,15-18,20-22H2,(H,42,52)(H,43,53)(H,44,49)(H,45,54)/t26-,29-,30+,31+,32+,33-,35-,36-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells |
J Med Chem 47: 6935-47 (2004)
Article DOI: 10.1021/jm040832y
BindingDB Entry DOI: 10.7270/Q2T43WVJ |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50473824
(CHEMBL406024 | MEN-11959)Show SMILES O=C(CN1CCC(CC1)N1CCCCC1)N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)CNC1=O Show InChI InChI=1S/C45H56N8O5/c54-41-27-40(50-42(55)30-52-22-18-35(19-23-52)53-20-10-3-11-21-53)43(56)47-29-34(24-31-12-4-1-5-13-31)48-44(57)38(25-32-14-6-2-7-15-32)51-45(58)39(49-41)26-33-28-46-37-17-9-8-16-36(33)37/h1-2,4-9,12-17,28,34-35,38-40,46H,3,10-11,18-27,29-30H2,(H,47,56)(H,48,57)(H,49,54)(H,50,55)(H,51,58)/t34-,38-,39-,40+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Inhibitory affinity constant (pKi) against tachykinin receptor 2 (NK-2R) using heterologous competition experiments |
J Med Chem 45: 3418-29 (2002)
Article DOI: 10.1021/jm011127h
BindingDB Entry DOI: 10.7270/Q2765J28 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476239
(CHEMBL439377)Show SMILES CN1CCN(CC1)[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O |r| Show InChI InChI=1S/C38H45N7O4/c1-44-16-18-45(19-17-44)34-23-35(46)42-33(22-28-24-39-31-15-9-8-14-30(28)31)37(48)43-32(21-27-12-6-3-7-13-27)36(47)41-29(25-40-38(34)49)20-26-10-4-2-5-11-26/h2-15,24,29,32-34,39H,16-23,25H2,1H3,(H,40,49)(H,41,47)(H,42,46)(H,43,48)/t29-,32+,33+,34-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells |
J Med Chem 47: 6935-47 (2004)
Article DOI: 10.1021/jm040832y
BindingDB Entry DOI: 10.7270/Q2T43WVJ |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476237
(CHEMBL225475)Show SMILES O=C(CN1CCC(CC1)N1CCCCC1)N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O |r| Show InChI InChI=1S/C45H56N8O5/c54-41-27-40(50-42(55)30-52-22-18-35(19-23-52)53-20-10-3-11-21-53)43(56)47-29-34(24-31-12-4-1-5-13-31)48-44(57)38(25-32-14-6-2-7-15-32)51-45(58)39(49-41)26-33-28-46-37-17-9-8-16-36(33)37/h1-2,4-9,12-17,28,34-35,38-40,46H,3,10-11,18-27,29-30H2,(H,47,56)(H,48,57)(H,49,54)(H,50,55)(H,51,58)/t34-,38+,39+,40-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells |
J Med Chem 47: 6935-47 (2004)
Article DOI: 10.1021/jm040832y
BindingDB Entry DOI: 10.7270/Q2T43WVJ |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476759
(CHEMBL389355)Show SMILES O=C(NCCCN1CCSCC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C31H38N4O3S2/c36-28(32-15-8-16-35-17-19-39-20-18-35)25(21-23-9-2-1-3-10-23)33-30(38)31(13-6-7-14-31)34-29(37)27-22-24-11-4-5-12-26(24)40-27/h1-5,9-12,22,25H,6-8,13-21H2,(H,32,36)(H,33,38)(H,34,37)/t25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.427 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.a.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human recombinant NK2 receptor |
J Med Chem 50: 4793-807 (2007)
Article DOI: 10.1021/jm070289w
BindingDB Entry DOI: 10.7270/Q2CR5X4G |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476232
(CHEMBL390167)Show SMILES NC(=O)C1CCN(CC(=O)N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1 |r| Show InChI InChI=1S/C41H48N8O6/c42-38(52)28-15-17-49(18-16-28)25-37(51)47-35-22-36(50)46-34(21-29-23-43-32-14-8-7-13-31(29)32)41(55)48-33(20-27-11-5-2-6-12-27)40(54)45-30(24-44-39(35)53)19-26-9-3-1-4-10-26/h1-14,23,28,30,33-35,43H,15-22,24-25H2,(H2,42,52)(H,44,53)(H,45,54)(H,46,50)(H,47,51)(H,48,55)/t30-,33+,34+,35-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells |
J Med Chem 47: 6935-47 (2004)
Article DOI: 10.1021/jm040832y
BindingDB Entry DOI: 10.7270/Q2T43WVJ |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476258
(CHEMBL387542)Show SMILES OC[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O)[C@@H](O)[C@@H](O)CN[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O |r| Show InChI InChI=1S/C51H68N6O19/c58-22-35(62)45(75-51-44(69)42(67)46(37(24-60)74-51)76-50-43(68)41(66)40(65)36(23-59)73-50)39(64)34(61)21-53-31-18-38(63)56-33(17-27-19-52-30-14-8-7-13-29(27)30)49(72)57-32(16-26-11-5-2-6-12-26)48(71)55-28(20-54-47(31)70)15-25-9-3-1-4-10-25/h1-14,19,28,31-37,39-46,50-53,58-62,64-69H,15-18,20-24H2,(H,54,70)(H,55,71)(H,56,63)(H,57,72)/t28-,31-,32+,33+,34+,35-,36+,37-,39+,40+,41-,42-,43+,44-,45+,46-,50+,51-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells |
J Med Chem 47: 6935-47 (2004)
Article DOI: 10.1021/jm040832y
BindingDB Entry DOI: 10.7270/Q2T43WVJ |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476744
(CHEMBL243498)Show SMILES O=C(NCC1CCN(CC1)C1CCOCC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C35H44N4O4S/c40-32(36-24-26-12-18-39(19-13-26)28-14-20-43-21-15-28)29(22-25-8-2-1-3-9-25)37-34(42)35(16-6-7-17-35)38-33(41)31-23-27-10-4-5-11-30(27)44-31/h1-5,8-11,23,26,28-29H,6-7,12-22,24H2,(H,36,40)(H,37,42)(H,38,41)/t29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.a.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human recombinant NK2 receptor |
J Med Chem 50: 4793-807 (2007)
Article DOI: 10.1021/jm070289w
BindingDB Entry DOI: 10.7270/Q2CR5X4G |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476257
(CHEMBL223994)Show SMILES OC[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)CN[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O |r| Show InChI InChI=1S/C45H58N6O14/c52-22-34(55)41(65-45-40(60)39(59)38(58)35(23-53)64-45)37(57)33(54)21-47-30-18-36(56)50-32(17-26-19-46-29-14-8-7-13-28(26)29)44(63)51-31(16-25-11-5-2-6-12-25)43(62)49-27(20-48-42(30)61)15-24-9-3-1-4-10-24/h1-14,19,27,30-35,37-41,45-47,52-55,57-60H,15-18,20-23H2,(H,48,61)(H,49,62)(H,50,56)(H,51,63)/t27-,30-,31+,32+,33+,34-,35-,37-,38-,39+,40-,41+,45-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 0.631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells |
J Med Chem 47: 6935-47 (2004)
Article DOI: 10.1021/jm040832y
BindingDB Entry DOI: 10.7270/Q2T43WVJ |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50366377
(CHEMBL334721 | MEN-10627)Show SMILES CSCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CNC(=O)C[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 Show InChI InChI=1S/C38H48N8O7S/c1-21(2)15-27-34(49)41-26(13-14-54-3)33(48)45-30-18-32(47)40-20-31(38(53)42-27)46-35(50)28(16-22-9-5-4-6-10-22)43-36(51)29(44-37(30)52)17-23-19-39-25-12-8-7-11-24(23)25/h4-12,19,21,26-31,39H,13-18,20H2,1-3H3,(H,40,47)(H,41,49)(H,42,53)(H,43,51)(H,44,52)(H,45,48)(H,46,50)/t26-,27-,28-,29-,30-,31-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.A.
Curated by ChEMBL
| Assay Description
Binding affinity towards Tachykinin receptor 2 |
J Med Chem 43: 4041-4 (2000)
Article DOI: 10.1021/jm0010217
BindingDB Entry DOI: 10.7270/Q2Z322CV |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50002935
(CHEMBL242631 | MEN-14268)Show SMILES O=C(NCCCN1CCOCC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C31H38N4O4S/c36-28(32-15-8-16-35-17-19-39-20-18-35)25(21-23-9-2-1-3-10-23)33-30(38)31(13-6-7-14-31)34-29(37)27-22-24-11-4-5-12-26(24)40-27/h1-5,9-12,22,25H,6-8,13-21H2,(H,32,36)(H,33,38)(H,34,37)/t25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.661 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche S.p.a.
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human recombinant NK2 receptor |
J Med Chem 50: 4793-807 (2007)
Article DOI: 10.1021/jm070289w
BindingDB Entry DOI: 10.7270/Q2CR5X4G |
More data for this
Ligand-Target Pair | |
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