Found 58 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50003866 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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 | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50476772
(CHEMBL230424)Show SMILES O=C(NCCCN1CCOCC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)c1ccc(s1)-c1ccccc1 Show InChI InChI=1S/C33H40N4O4S/c38-30(34-18-9-19-37-20-22-41-23-21-37)27(24-25-10-3-1-4-11-25)35-32(40)33(16-7-8-17-33)36-31(39)29-15-14-28(42-29)26-12-5-2-6-13-26/h1-6,10-15,27H,7-9,16-24H2,(H,34,38)(H,35,40)(H,36,39)/t27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.759 | 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)) | BDBM50476747
(CHEMBL394350)Show SMILES O=C(CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)c1cc2ccccc2s1)N1CCC(CC1)N1CCOCC1 Show InChI InChI=1S/C36H45N5O5S/c42-32(41-18-13-28(14-19-41)40-20-22-46-23-21-40)12-17-37-33(43)29(24-26-8-2-1-3-9-26)38-35(45)36(15-6-7-16-36)39-34(44)31-25-27-10-4-5-11-30(27)47-31/h1-5,8-11,25,28-29H,6-7,12-24H2,(H,37,43)(H,38,45)(H,39,44)/t29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.759 | 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)) | BDBM50476786
(CHEMBL2113292)Show SMILES C[C@H]1CN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC(=O)c2cc3ccccc3s2)C[C@@H](C)N1 Show InChI InChI=1S/C33H43N5O3S/c1-23-21-38(22-24(2)35-23)18-10-17-34-30(39)27(19-25-11-4-3-5-12-25)36-32(41)33(15-8-9-16-33)37-31(40)29-20-26-13-6-7-14-28(26)42-29/h3-7,11-14,20,23-24,27,35H,8-10,15-19,21-22H2,1-2H3,(H,34,39)(H,36,41)(H,37,40)/t23-,24+,27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.813 | 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)) | BDBM50476785
(CHEMBL389744)Show SMILES O=C(NCCC1CCN(CC1)C1CCOCC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C36H46N4O4S/c41-33(37-19-12-26-13-20-40(21-14-26)29-15-22-44-23-16-29)30(24-27-8-2-1-3-9-27)38-35(43)36(17-6-7-18-36)39-34(42)32-25-28-10-4-5-11-31(28)45-32/h1-5,8-11,25-26,29-30H,6-7,12-24H2,(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
| 0.851 | 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)) | BDBM50476761
(CHEMBL242619)Show SMILES O=C(CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)c1cc2ccccc2s1)N1CCN(CC2CCOCC2)CC1 Show InChI InChI=1S/C37H47N5O5S/c43-33(42-20-18-41(19-21-42)26-28-13-22-47-23-14-28)12-17-38-34(44)30(24-27-8-2-1-3-9-27)39-36(46)37(15-6-7-16-37)40-35(45)32-25-29-10-4-5-11-31(29)48-32/h1-5,8-11,25,28,30H,6-7,12-24,26H2,(H,38,44)(H,39,46)(H,40,45)/t30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.891 | 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)) | BDBM50476787
(CHEMBL242625)Show SMILES CN1CCN(CC1)C(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C32H39N5O4S/c1-36-17-19-37(20-18-36)28(38)13-16-33-29(39)25(21-23-9-3-2-4-10-23)34-31(41)32(14-7-8-15-32)35-30(40)27-22-24-11-5-6-12-26(24)42-27/h2-6,9-12,22,25H,7-8,13-21H2,1H3,(H,33,39)(H,34,41)(H,35,40)/t25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.10 | 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)) | BDBM50476781
(CHEMBL394607)Show SMILES O=C(CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)c1cc2ccccc2s1)N1CCN(CC1)C1CCOCC1 Show InChI InChI=1S/C36H45N5O5S/c42-32(41-20-18-40(19-21-41)28-13-22-46-23-14-28)12-17-37-33(43)29(24-26-8-2-1-3-9-26)38-35(45)36(15-6-7-16-36)39-34(44)31-25-27-10-4-5-11-30(27)47-31/h1-5,8-11,25,28-29H,6-7,12-24H2,(H,37,43)(H,38,45)(H,39,44)/t29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM50476763
(CHEMBL266108)Show SMILES O=C(NCC1CCN(CC2CCOCC2)CC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)c1cc2ccc(cc2s1)C#N Show InChI InChI=1S/C37H45N5O4S/c38-23-29-8-9-30-22-33(47-32(30)21-29)35(44)41-37(14-4-5-15-37)36(45)40-31(20-26-6-2-1-3-7-26)34(43)39-24-27-10-16-42(17-11-27)25-28-12-18-46-19-13-28/h1-3,6-9,21-22,27-28,31H,4-5,10-20,24-25H2,(H,39,43)(H,40,45)(H,41,44)/t31-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM50476749
(CHEMBL244364)Show SMILES Clc1ccc2sc(cc2c1)C(=O)NC1(CCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C31H37ClN4O4S/c32-24-9-10-26-23(20-24)21-27(41-26)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
| 1.5 | 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)) | BDBM50476776
(CHEMBL230324)Show SMILES O=C(NCCCN1CCOCC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C35H42N4O4/c40-32(30-16-14-29(15-17-30)28-12-5-2-6-13-28)38-35(18-7-8-19-35)34(42)37-31(26-27-10-3-1-4-11-27)33(41)36-20-9-21-39-22-24-43-25-23-39/h1-6,10-17,31H,7-9,18-26H2,(H,36,41)(H,37,42)(H,38,40)/t31-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM50476795
(CHEMBL243497)Show SMILES O=C(NCCC1CCN(CC2CCOCC2)CC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C37H48N4O4S/c42-34(38-19-12-27-13-20-41(21-14-27)26-29-15-22-45-23-16-29)31(24-28-8-2-1-3-9-28)39-36(44)37(17-6-7-18-37)40-35(43)33-25-30-10-4-5-11-32(30)46-33/h1-5,8-11,25,27,29,31H,6-7,12-24,26H2,(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
| 1.90 | 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)) | BDBM50476794
(CHEMBL220365)Show SMILES O=C(NC1CCN(CC2CCOCC2)CC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C35H44N4O4S/c40-32(36-28-12-18-39(19-13-28)24-26-14-20-43-21-15-26)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
| 1.90 | 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)) | BDBM50476790
(CHEMBL231173)Show SMILES O=C(NCCCN1CCC(CC1)N1CCOCC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C36H47N5O4S/c42-33(37-17-8-18-40-19-13-29(14-20-40)41-21-23-45-24-22-41)30(25-27-9-2-1-3-10-27)38-35(44)36(15-6-7-16-36)39-34(43)32-26-28-11-4-5-12-31(28)46-32/h1-5,9-12,26,29-30H,6-8,13-25H2,(H,37,42)(H,38,44)(H,39,43)/t30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM50476778
(CHEMBL397264)Show SMILES O=C(NCCCN1CCOCC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C33H40N4O4/c38-30(28-14-13-26-11-4-5-12-27(26)24-28)36-33(15-6-7-16-33)32(40)35-29(23-25-9-2-1-3-10-25)31(39)34-17-8-18-37-19-21-41-22-20-37/h1-5,9-14,24,29H,6-8,15-23H2,(H,34,39)(H,35,40)(H,36,38)/t29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM50476756
(CHEMBL397263)Show SMILES O=C(NCCCN1CCOCC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C31H39N5O4/c37-28(32-15-8-16-36-17-19-40-20-18-36)26(21-23-9-2-1-3-10-23)34-30(39)31(13-6-7-14-31)35-29(38)27-22-24-11-4-5-12-25(24)33-27/h1-5,9-12,22,26,33H,6-8,13-21H2,(H,32,37)(H,34,39)(H,35,38)/t26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM50476797
(CHEMBL230426)Show SMILES Cn1c(cc2ccccc12)C(=O)NC1(CCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C32H41N5O4/c1-36-27-13-6-5-12-25(27)23-28(36)30(39)35-32(14-7-8-15-32)31(40)34-26(22-24-10-3-2-4-11-24)29(38)33-16-9-17-37-18-20-41-21-19-37/h2-6,10-13,23,26H,7-9,14-22H2,1H3,(H,33,38)(H,34,40)(H,35,39)/t26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.40 | 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)) | BDBM50476746
(CHEMBL244363)Show SMILES Clc1cccc2sc(cc12)C(=O)NC1(CCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C31H37ClN4O4S/c32-24-10-6-11-26-23(24)21-27(41-26)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
| 2.90 | 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)) | BDBM50476768
(CHEMBL428217)Show SMILES OC1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC(=O)c2cc3ccccc3s2)CC1 Show InChI InChI=1S/C32H40N4O4S/c37-25-13-19-36(20-14-25)18-8-17-33-29(38)26(21-23-9-2-1-3-10-23)34-31(40)32(15-6-7-16-32)35-30(39)28-22-24-11-4-5-12-27(24)41-28/h1-5,9-12,22,25-26,37H,6-8,13-21H2,(H,33,38)(H,34,40)(H,35,39)/t26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.20 | 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)) | BDBM50476773
(CHEMBL395774)Show SMILES Cc1cc(NC(=O)NC2(CCCC2)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)ccc1Br Show InChI InChI=1S/C30H40BrN5O4/c1-22-20-24(10-11-25(22)31)33-29(39)35-30(12-5-6-13-30)28(38)34-26(21-23-8-3-2-4-9-23)27(37)32-14-7-15-36-16-18-40-19-17-36/h2-4,8-11,20,26H,5-7,12-19,21H2,1H3,(H,32,37)(H,34,38)(H2,33,35,39)/t26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.80 | 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)) | BDBM50476741
(CHEMBL243278)Show SMILES O=C(NCCCNC1CCOCC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C32H40N4O4S/c37-29(34-18-8-17-33-25-13-19-40-20-14-25)26(21-23-9-2-1-3-10-23)35-31(39)32(15-6-7-16-32)36-30(38)28-22-24-11-4-5-12-27(24)41-28/h1-5,9-12,22,25-26,33H,6-8,13-21H2,(H,34,37)(H,35,39)(H,36,38)/t26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.80 | 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)) | BDBM50476767
(CHEMBL243503)Show SMILES CSc1ccc(NC(=O)NC2(CCCC2)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)cc1 Show InChI InChI=1S/C30H41N5O4S/c1-40-25-12-10-24(11-13-25)32-29(38)34-30(14-5-6-15-30)28(37)33-26(22-23-8-3-2-4-9-23)27(36)31-16-7-17-35-18-20-39-21-19-35/h2-4,8-13,26H,5-7,14-22H2,1H3,(H,31,36)(H,33,37)(H2,32,34,38)/t26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM50476755
(CHEMBL242624)Show SMILES O=C(CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)c1cc2ccccc2s1)N1CCC(CC1)N1CCOCC1 Show InChI InChI=1S/C37H47N5O5S/c43-33(42-19-14-29(15-20-42)41-21-23-47-24-22-41)13-8-18-38-34(44)30(25-27-9-2-1-3-10-27)39-36(46)37(16-6-7-17-37)40-35(45)32-26-28-11-4-5-12-31(28)48-32/h1-5,9-12,26,29-30H,6-8,13-25H2,(H,38,44)(H,39,46)(H,40,45)/t30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.70 | 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)) | BDBM50476792
(CHEMBL244766)Show SMILES OCCC(CCO)NCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C32H42N4O5S/c37-19-13-25(14-20-38)33-17-8-18-34-29(39)26(21-23-9-2-1-3-10-23)35-31(41)32(15-6-7-16-32)36-30(40)28-22-24-11-4-5-12-27(24)42-28/h1-5,9-12,22,25-26,33,37-38H,6-8,13-21H2,(H,34,39)(H,35,41)(H,36,40)/t26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.90 | 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)) | BDBM50476779
(CHEMBL389525)Show SMILES O=C(NCCCN1CCOCC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)c1cc2ccccc2o1 Show InChI InChI=1S/C31H38N4O5/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
| 4.90 | 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)) | BDBM50476796
(CHEMBL397702)Show SMILES O=C(NCCCN1CCOCC1)[C@@H](Cc1ccccc1)NC(=O)C1(CC=CC1)NC(=O)c1cc2ccccc2s1 |c:27| Show InChI InChI=1S/C31H36N4O4S/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/h1-7,9-12,22,25H,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
| 5.5 | 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)) | BDBM50476769
(CHEMBL437164)Show SMILES OCC(CO)NCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C30H38N4O5S/c35-19-23(20-36)31-15-8-16-32-27(37)24(17-21-9-2-1-3-10-21)33-29(39)30(13-6-7-14-30)34-28(38)26-18-22-11-4-5-12-25(22)40-26/h1-5,9-12,18,23-24,31,35-36H,6-8,13-17,19-20H2,(H,32,37)(H,33,39)(H,34,38)/t24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 8.5 | 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)) | BDBM50476775
(CHEMBL243725)Show SMILES Ic1ccc(NC(=O)NC2(CCCC2)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)cc1 Show InChI InChI=1S/C29H38IN5O4/c30-23-9-11-24(12-10-23)32-28(38)34-29(13-4-5-14-29)27(37)33-25(21-22-7-2-1-3-8-22)26(36)31-15-6-16-35-17-19-39-20-18-35/h1-3,7-12,25H,4-6,13-21H2,(H,31,36)(H,33,37)(H2,32,34,38)/t25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 9.10 | 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)) | BDBM50476745
(CHEMBL394531)Show SMILES O=C(NC1(CCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1)\C=C\c1ccccc1 Show InChI InChI=1S/C31H40N4O4/c36-28(15-14-25-10-3-1-4-11-25)34-31(16-7-8-17-31)30(38)33-27(24-26-12-5-2-6-13-26)29(37)32-18-9-19-35-20-22-39-23-21-35/h1-6,10-15,27H,7-9,16-24H2,(H,32,37)(H,33,38)(H,34,36)/b15-14+/t27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM50476782
(CHEMBL231261)Show SMILES Clc1ccc(NC(=S)NC2(CCCC2)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)cc1Cl Show InChI InChI=1S/C29H37Cl2N5O3S/c30-23-10-9-22(20-24(23)31)33-28(40)35-29(11-4-5-12-29)27(38)34-25(19-21-7-2-1-3-8-21)26(37)32-13-6-14-36-15-17-39-18-16-36/h1-3,7-10,20,25H,4-6,11-19H2,(H,32,37)(H,34,38)(H2,33,35,40)/t25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 11 | 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)) | BDBM50476762
(CHEMBL390174)Show SMILES CN(C(=O)c1cc2ccccc2s1)C1(CCCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C33H42N4O4S/c1-36(31(39)29-24-26-13-6-7-14-28(26)42-29)33(15-8-3-9-16-33)32(40)35-27(23-25-11-4-2-5-12-25)30(38)34-17-10-18-37-19-21-41-22-20-37/h2,4-7,11-14,24,27H,3,8-10,15-23H2,1H3,(H,34,38)(H,35,40)/t27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 11 | 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)) | BDBM50476757
(CHEMBL243502)Show SMILES Brc1ccc(NC(=O)NC2(CCCC2)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)cc1 Show InChI InChI=1S/C29H38BrN5O4/c30-23-9-11-24(12-10-23)32-28(38)34-29(13-4-5-14-29)27(37)33-25(21-22-7-2-1-3-8-22)26(36)31-15-6-16-35-17-19-39-20-18-35/h1-3,7-12,25H,4-6,13-21H2,(H,31,36)(H,33,37)(H2,32,34,38)/t25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 13 | 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)) | BDBM50476780
(CHEMBL243280)Show SMILES Ic1ccc(cc1)C(=O)NC1(CCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C29H37IN4O4/c30-24-11-9-23(10-12-24)26(35)33-29(13-4-5-14-29)28(37)32-25(21-22-7-2-1-3-8-22)27(36)31-15-6-16-34-17-19-38-20-18-34/h1-3,7-12,25H,4-6,13-21H2,(H,31,36)(H,32,37)(H,33,35)/t25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 15 | 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)) | BDBM50476789
(CHEMBL242847)Show SMILES CC(C)(NC(=O)c1cc2ccccc2s1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C29H36N4O4S/c1-29(2,32-27(35)25-20-22-11-6-7-12-24(22)38-25)28(36)31-23(19-21-9-4-3-5-10-21)26(34)30-13-8-14-33-15-17-37-18-16-33/h3-7,9-12,20,23H,8,13-19H2,1-2H3,(H,30,34)(H,31,36)(H,32,35)/t23-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 21 | 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)) | BDBM50476752
(CHEMBL243071)Show SMILES CN(C(=O)c1cc2ccccc2s1)C1(CCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C32H40N4O4S/c1-35(30(38)28-23-25-12-5-6-13-27(25)41-28)32(14-7-8-15-32)31(39)34-26(22-24-10-3-2-4-11-24)29(37)33-16-9-17-36-18-20-40-21-19-36/h2-6,10-13,23,26H,7-9,14-22H2,1H3,(H,33,37)(H,34,39)/t26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 25 | 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)) | BDBM50476791
(CHEMBL230326)Show SMILES O=C(NCCCN1CCOCC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)c1ccc2ncccc2c1 Show InChI InChI=1S/C32H39N5O4/c38-29(26-11-12-27-25(23-26)10-6-15-33-27)36-32(13-4-5-14-32)31(40)35-28(22-24-8-2-1-3-9-24)30(39)34-16-7-17-37-18-20-41-21-19-37/h1-3,6,8-12,15,23,28H,4-5,7,13-14,16-22H2,(H,34,39)(H,35,40)(H,36,38)/t28-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 26 | 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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