Found 63 hits Enz. Inhib. hit(s) with all data for entry = 50044034 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)) | BDBM50003000
(CHEMBL394889)Show SMILES CC1CCCCN1CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C34H44N4O3S/c1-25-13-8-11-21-38(25)22-12-20-35-31(39)28(23-26-14-4-2-5-15-26)36-33(41)34(18-9-3-10-19-34)37-32(40)30-24-27-16-6-7-17-29(27)42-30/h2,4-7,14-17,24-25,28H,3,8-13,18-23H2,1H3,(H,35,39)(H,36,41)(H,37,40)/t25?,28-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
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
| 0.630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50002941
(CHEMBL428203)Show SMILES O=C(NCCCN1CCOCC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C32H40N4O4S/c37-29(33-16-9-17-36-18-20-40-21-19-36)26(22-24-10-3-1-4-11-24)34-31(39)32(14-7-2-8-15-32)35-30(38)28-23-25-12-5-6-13-27(25)41-28/h1,3-6,10-13,23,26H,2,7-9,14-22H2,(H,33,37)(H,34,39)(H,35,38)/t26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50002943
(CHEMBL394878)Show SMILES CN1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCc3ccccc23)NC(=O)c2cc3ccccc3s2)CC1 Show InChI InChI=1S/C36H41N5O3S/c1-40-20-22-41(23-21-40)19-9-18-37-33(42)30(24-26-10-3-2-4-11-26)38-35(44)36(17-16-27-12-5-7-14-29(27)36)39-34(43)32-25-28-13-6-8-15-31(28)45-32/h2-8,10-15,25,30H,9,16-24H2,1H3,(H,37,42)(H,38,44)(H,39,43)/t30-,36?/m1/s1 | PDB
Reactome pathway
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UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50002943
(CHEMBL394878)Show SMILES CN1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCc3ccccc23)NC(=O)c2cc3ccccc3s2)CC1 Show InChI InChI=1S/C36H41N5O3S/c1-40-20-22-41(23-21-40)19-9-18-37-33(42)30(24-26-10-3-2-4-11-26)38-35(44)36(17-16-27-12-5-7-14-29(27)36)39-34(43)32-25-28-13-6-8-15-31(28)45-32/h2-8,10-15,25,30H,9,16-24H2,1H3,(H,37,42)(H,38,44)(H,39,43)/t30-,36?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50002946
(CHEMBL394418)Show SMILES O=C(NCCCN1CCCC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCc2ccccc12)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C35H38N4O3S/c40-32(36-19-10-22-39-20-8-9-21-39)29(23-25-11-2-1-3-12-25)37-34(42)35(18-17-26-13-4-6-15-28(26)35)38-33(41)31-24-27-14-5-7-16-30(27)43-31/h1-7,11-16,24,29H,8-10,17-23H2,(H,36,40)(H,37,42)(H,38,41)/t29-,35?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50002936
(CHEMBL394420)Show SMILES O=C(NCCCN1CCCC1)[C@@H](Cc1ccccc1)NC(=O)C1(Cc2ccccc2C1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C35H38N4O3S/c40-32(36-17-10-20-39-18-8-9-19-39)29(21-25-11-2-1-3-12-25)37-34(42)35(23-27-14-4-5-15-28(27)24-35)38-33(41)31-22-26-13-6-7-16-30(26)43-31/h1-7,11-16,22,29H,8-10,17-21,23-24H2,(H,36,40)(H,37,42)(H,38,41)/t29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50002946
(CHEMBL394418)Show SMILES O=C(NCCCN1CCCC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCc2ccccc12)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C35H38N4O3S/c40-32(36-19-10-22-39-20-8-9-21-39)29(23-25-11-2-1-3-12-25)37-34(42)35(18-17-26-13-4-6-15-28(26)35)38-33(41)31-24-27-14-5-7-16-30(27)43-31/h1-7,11-16,24,29H,8-10,17-23H2,(H,36,40)(H,37,42)(H,38,41)/t29-,35?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50002940
(CHEMBL237097)Show SMILES CCCCN(CCCC)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C36H50N4O3S/c1-3-5-23-40(24-6-4-2)25-15-22-37-33(41)30(26-28-16-9-7-10-17-28)38-35(43)36(20-13-8-14-21-36)39-34(42)32-27-29-18-11-12-19-31(29)44-32/h7,9-12,16-19,27,30H,3-6,8,13-15,20-26H2,1-2H3,(H,37,41)(H,38,43)(H,39,42)/t30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50002951
(CHEMBL235574)Show SMILES CCCCN(CCCC)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(CCc2ccccc12)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C39H48N4O3S/c1-3-5-24-43(25-6-4-2)26-14-23-40-36(44)33(27-29-15-8-7-9-16-29)41-38(46)39(22-21-30-17-10-12-19-32(30)39)42-37(45)35-28-31-18-11-13-20-34(31)47-35/h7-13,15-20,28,33H,3-6,14,21-27H2,1-2H3,(H,40,44)(H,41,46)(H,42,45)/t33-,39?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50002951
(CHEMBL235574)Show SMILES CCCCN(CCCC)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(CCc2ccccc12)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C39H48N4O3S/c1-3-5-24-43(25-6-4-2)26-14-23-40-36(44)33(27-29-15-8-7-9-16-29)41-38(46)39(22-21-30-17-10-12-19-32(30)39)42-37(45)35-28-31-18-11-13-20-34(31)47-35/h7-13,15-20,28,33H,3-6,14,21-27H2,1-2H3,(H,40,44)(H,41,46)(H,42,45)/t33-,39?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50002996
(CHEMBL396827)Show SMILES CCCCN(CCCC)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(Cc2ccccc2C1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C39H48N4O3S/c1-3-5-22-43(23-6-4-2)24-14-21-40-36(44)33(25-29-15-8-7-9-16-29)41-38(46)39(27-31-18-10-11-19-32(31)28-39)42-37(45)35-26-30-17-12-13-20-34(30)47-35/h7-13,15-20,26,33H,3-6,14,21-25,27-28H2,1-2H3,(H,40,44)(H,41,46)(H,42,45)/t33-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50002957
(CHEMBL398028)Show SMILES O=C(NCCCN1CCOCC1)[C@@H](Cc1ccccc1)NC(=O)C1(Cc2ccccc2C1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C35H38N4O4S/c40-32(36-15-8-16-39-17-19-43-20-18-39)29(21-25-9-2-1-3-10-25)37-34(42)35(23-27-12-4-5-13-28(27)24-35)38-33(41)31-22-26-11-6-7-14-30(26)44-31/h1-7,9-14,22,29H,8,15-21,23-24H2,(H,36,40)(H,37,42)(H,38,41)/t29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50002954
(CHEMBL235353)Show SMILES CN1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC(=O)c2cc3ccccc3s2)CC1 Show InChI InChI=1S/C32H41N5O3S/c1-36-18-20-37(21-19-36)17-9-16-33-29(38)26(22-24-10-3-2-4-11-24)34-31(40)32(14-7-8-15-32)35-30(39)28-23-25-12-5-6-13-27(25)41-28/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
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50003001
(CHEMBL394419)Show SMILES O=C(NCCCN1CCOCC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCc2ccccc12)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C35H38N4O4S/c40-32(36-17-8-18-39-19-21-43-22-20-39)29(23-25-9-2-1-3-10-25)37-34(42)35(16-15-26-11-4-6-13-28(26)35)38-33(41)31-24-27-12-5-7-14-30(27)44-31/h1-7,9-14,24,29H,8,15-23H2,(H,36,40)(H,37,42)(H,38,41)/t29-,35?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50003001
(CHEMBL394419)Show SMILES O=C(NCCCN1CCOCC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCc2ccccc12)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C35H38N4O4S/c40-32(36-17-8-18-39-19-21-43-22-20-39)29(23-25-9-2-1-3-10-25)37-34(42)35(16-15-26-11-4-6-13-28(26)35)38-33(41)31-24-27-12-5-7-14-30(27)44-31/h1-7,9-14,24,29H,8,15-23H2,(H,36,40)(H,37,42)(H,38,41)/t29-,35?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50002961
(CHEMBL237048)Show SMILES CN1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(Cc3ccccc3C2)NC(=O)c2cc3ccccc3s2)CC1 Show InChI InChI=1S/C36H41N5O3S/c1-40-18-20-41(21-19-40)17-9-16-37-33(42)30(22-26-10-3-2-4-11-26)38-35(44)36(24-28-13-5-6-14-29(28)25-36)39-34(43)32-23-27-12-7-8-15-31(27)45-32/h2-8,10-15,23,30H,9,16-22,24-25H2,1H3,(H,37,42)(H,38,44)(H,39,43)/t30-/m1/s1 | PDB
Reactome pathway
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UniChem
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PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50003004
(CHEMBL235431)Show SMILES CN1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCCCC2)NC(=O)c2cc3ccccc3s2)CC1 Show InChI InChI=1S/C33H43N5O3S/c1-37-19-21-38(22-20-37)18-10-17-34-30(39)27(23-25-11-4-2-5-12-25)35-32(41)33(15-8-3-9-16-33)36-31(40)29-24-26-13-6-7-14-28(26)42-29/h2,4-7,11-14,24,27H,3,8-10,15-23H2,1H3,(H,34,39)(H,35,41)(H,36,40)/t27-/m1/s1 | PDB
Reactome pathway
KEGG
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UniChem
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PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50002950
(CHEMBL237304)Show SMILES O=C(NCCCN1CCCC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C32H40N4O3S/c37-29(33-18-11-21-36-19-9-10-20-36)26(22-24-12-3-1-4-13-24)34-31(39)32(16-7-2-8-17-32)35-30(38)28-23-25-14-5-6-15-27(25)40-28/h1,3-6,12-15,23,26H,2,7-11,16-22H2,(H,33,37)(H,34,39)(H,35,38)/t26-/m1/s1 | PDB
Reactome pathway
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PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50003012
(CHEMBL397576)Show SMILES CCCCN(CCCC)CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C36H50N4O3S/c1-3-5-23-40(24-6-4-2)25-15-22-37-33(41)30(26-28-16-9-7-10-17-28)38-35(43)36(20-13-8-14-21-36)39-34(42)32-27-29-18-11-12-19-31(29)44-32/h7,9-12,16-19,27,30H,3-6,8,13-15,20-26H2,1-2H3,(H,37,41)(H,38,43)(H,39,42)/t30-/m0/s1 | PDB
Reactome pathway
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| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50002937
(CHEMBL394648)Show SMILES CC1CCCCN1CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C34H44N4O3S/c1-25-13-8-11-21-38(25)22-12-20-35-31(39)28(23-26-14-4-2-5-15-26)36-33(41)34(18-9-3-10-19-34)37-32(40)30-24-27-16-6-7-17-29(27)42-30/h2,4-7,14-17,24-25,28H,3,8-13,18-23H2,1H3,(H,35,39)(H,36,41)(H,37,40)/t25?,28-/m0/s1 | PDB
Reactome pathway
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UniChem
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PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50002955
(CHEMBL236891)Show SMILES NCCOCCOCCNC(=O)C(Cc1ccccc1)NC(=O)C1(CCc2ccccc12)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C34H38N4O5S/c35-16-18-42-20-21-43-19-17-36-31(39)28(22-24-8-2-1-3-9-24)37-33(41)34(15-14-25-10-4-6-12-27(25)34)38-32(40)30-23-26-11-5-7-13-29(26)44-30/h1-13,23,28H,14-22,35H2,(H,36,39)(H,37,41)(H,38,40) | PDB
Reactome pathway
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50002939
(CHEMBL236250)Show SMILES NCCOCCOCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C31H40N4O5S/c32-15-17-39-19-20-40-18-16-33-28(36)25(21-23-9-3-1-4-10-23)34-30(38)31(13-7-2-8-14-31)35-29(37)27-22-24-11-5-6-12-26(24)41-27/h1,3-6,9-12,22,25H,2,7-8,13-21,32H2,(H,33,36)(H,34,38)(H,35,37)/t25-/m0/s1 | PDB
Reactome pathway
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PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50002962
(CHEMBL237303)Show SMILES O=C(NCCCN1CCCC1)[C@H](Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C32H40N4O3S/c37-29(33-18-11-21-36-19-9-10-20-36)26(22-24-12-3-1-4-13-24)34-31(39)32(16-7-2-8-17-32)35-30(38)28-23-25-14-5-6-15-27(25)40-28/h1,3-6,12-15,23,26H,2,7-11,16-22H2,(H,33,37)(H,34,39)(H,35,38)/t26-/m0/s1 | PDB
Reactome pathway
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PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50003006
(CHEMBL236890)Show SMILES NCCOCCOCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(Cc2ccccc2C1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C34H38N4O5S/c35-14-16-42-18-19-43-17-15-36-31(39)28(20-24-8-2-1-3-9-24)37-33(41)34(22-26-11-4-5-12-27(26)23-34)38-32(40)30-21-25-10-6-7-13-29(25)44-30/h1-13,21,28H,14-20,22-23,35H2,(H,36,39)(H,37,41)(H,38,40)/t28-/m0/s1 | PDB
Reactome pathway
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50003001
(CHEMBL394419)Show SMILES O=C(NCCCN1CCOCC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCc2ccccc12)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C35H38N4O4S/c40-32(36-17-8-18-39-19-21-43-22-20-39)29(23-25-9-2-1-3-10-25)37-34(42)35(16-15-26-11-4-6-13-28(26)35)38-33(41)31-24-27-12-5-7-14-30(27)44-31/h1-7,9-14,24,29H,8,15-23H2,(H,36,40)(H,37,42)(H,38,41)/t29-,35?/m1/s1 | PDB
UniProtKB/SwissProt
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UniChem
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Agonist activity at NK2 receptor in guinea pig smooth muscle |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | 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
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Agonist activity at NK2 receptor in guinea pig smooth muscle |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50002944
(CHEMBL437777)Show SMILES O=C(NCCCN1CCOCC1)[C@H](Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C32H40N4O4S/c37-29(33-16-9-17-36-18-20-40-21-19-36)26(22-24-10-3-1-4-11-24)34-31(39)32(14-7-2-8-15-32)35-30(38)28-23-25-12-5-6-13-27(25)41-28/h1,3-6,10-13,23,26H,2,7-9,14-22H2,(H,33,37)(H,34,39)(H,35,38)/t26-/m0/s1 | PDB
Reactome pathway
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50002943
(CHEMBL394878)Show SMILES CN1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCc3ccccc23)NC(=O)c2cc3ccccc3s2)CC1 Show InChI InChI=1S/C36H41N5O3S/c1-40-20-22-41(23-21-40)19-9-18-37-33(42)30(24-26-10-3-2-4-11-26)38-35(44)36(17-16-27-12-5-7-14-29(27)36)39-34(43)32-25-28-13-6-8-15-31(28)45-32/h2-8,10-15,25,30H,9,16-24H2,1H3,(H,37,42)(H,38,44)(H,39,43)/t30-,36?/m1/s1 | PDB
UniProtKB/SwissProt
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UniChem
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Agonist activity at NK2 receptor in guinea pig smooth muscle |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50002959
(CHEMBL400209)Show SMILES CC(C)N(CCNC(=O)C(Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1)C(C)C Show InChI InChI=1S/C33H44N4O3S/c1-23(2)37(24(3)4)20-19-34-30(38)27(21-25-13-7-5-8-14-25)35-32(40)33(17-11-6-12-18-33)36-31(39)29-22-26-15-9-10-16-28(26)41-29/h5,7-10,13-16,22-24,27H,6,11-12,17-21H2,1-4H3,(H,34,38)(H,35,40)(H,36,39) | PDB
Reactome pathway
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| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50003003
(CHEMBL428905)Show SMILES CCN(CC)CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C32H42N4O3S/c1-3-36(4-2)21-13-20-33-29(37)26(22-24-14-7-5-8-15-24)34-31(39)32(18-11-6-12-19-32)35-30(38)28-23-25-16-9-10-17-27(25)40-28/h5,7-10,14-17,23,26H,3-4,6,11-13,18-22H2,1-2H3,(H,33,37)(H,34,39)(H,35,38)/t26-/m0/s1 | PDB
Reactome pathway
KEGG
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PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50002964
(CHEMBL238392)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1)C(N)=O Show InChI InChI=1S/C31H38N4O4S/c1-20(2)17-23(27(32)36)33-28(37)24(18-21-11-5-3-6-12-21)34-30(39)31(15-9-4-10-16-31)35-29(38)26-19-22-13-7-8-14-25(22)40-26/h3,5-8,11-14,19-20,23-24H,4,9-10,15-18H2,1-2H3,(H2,32,36)(H,33,37)(H,34,39)(H,35,38)/t23-,24-/m1/s1 | PDB
Reactome pathway
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PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50003011
(CHEMBL398982)Show SMILES NCCOCCOCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C30H38N4O5S/c31-14-16-38-18-19-39-17-15-32-27(35)24(20-22-8-2-1-3-9-22)33-29(37)30(12-6-7-13-30)34-28(36)26-21-23-10-4-5-11-25(23)40-26/h1-5,8-11,21,24H,6-7,12-20,31H2,(H,32,35)(H,33,37)(H,34,36)/t24-/m0/s1 | PDB
Reactome pathway
KEGG
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UniChem
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PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50002963
(CHEMBL237517)Show SMILES CN1CCCC1CCCNC(=O)C(Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C33H42N4O3S/c1-37-21-11-16-26(37)15-10-20-34-30(38)27(22-24-12-4-2-5-13-24)35-32(40)33(18-8-3-9-19-33)36-31(39)29-23-25-14-6-7-17-28(25)41-29/h2,4-7,12-14,17,23,26-27H,3,8-11,15-16,18-22H2,1H3,(H,34,38)(H,35,40)(H,36,39) | PDB
Reactome pathway
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| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50002958
(CHEMBL429631)Show SMILES O=C(NCCN1CCCCC1)C(Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C32H40N4O3S/c37-29(33-18-21-36-19-10-3-11-20-36)26(22-24-12-4-1-5-13-24)34-31(39)32(16-8-2-9-17-32)35-30(38)28-23-25-14-6-7-15-27(25)40-28/h1,4-7,12-15,23,26H,2-3,8-11,16-22H2,(H,33,37)(H,34,39)(H,35,38) | PDB
Reactome pathway
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| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50002938
(CHEMBL238181)Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1)C(N)=O Show InChI InChI=1S/C31H38N4O4S/c1-20(2)17-23(27(32)36)33-28(37)24(18-21-11-5-3-6-12-21)34-30(39)31(15-9-4-10-16-31)35-29(38)26-19-22-13-7-8-14-25(22)40-26/h3,5-8,11-14,19-20,23-24H,4,9-10,15-18H2,1-2H3,(H2,32,36)(H,33,37)(H,34,39)(H,35,38)/t23-,24+/m1/s1 | PDB
Reactome pathway
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PubMed
| 71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50002997
(CHEMBL237081)Show SMILES CCN(CC)CCNC(=O)C(Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C31H40N4O3S/c1-3-35(4-2)20-19-32-28(36)25(21-23-13-7-5-8-14-23)33-30(38)31(17-11-6-12-18-31)34-29(37)27-22-24-15-9-10-16-26(24)39-27/h5,7-10,13-16,22,25H,3-4,6,11-12,17-21H2,1-2H3,(H,32,36)(H,33,38)(H,34,37) | PDB
Reactome pathway
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50003010
(CHEMBL236659)Show SMILES CC(C)(NC(=O)c1cc2ccccc2s1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCOCCOCCN Show InChI InChI=1S/C28H36N4O5S/c1-28(2,32-26(34)24-19-21-10-6-7-11-23(21)38-24)27(35)31-22(18-20-8-4-3-5-9-20)25(33)30-13-15-37-17-16-36-14-12-29/h3-11,19,22H,12-18,29H2,1-2H3,(H,30,33)(H,31,35)(H,32,34)/t22-/m0/s1 | PDB
Reactome pathway
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50002949
(CHEMBL237516)Show SMILES O=C(NCCN1CCOCC1)C(Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C31H38N4O4S/c36-28(32-15-16-35-17-19-39-20-18-35)25(21-23-9-3-1-4-10-23)33-30(38)31(13-7-2-8-14-31)34-29(37)27-22-24-11-5-6-12-26(24)40-27/h1,3-6,9-12,22,25H,2,7-8,13-21H2,(H,32,36)(H,33,38)(H,34,37) | PDB
Reactome pathway
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50002957
(CHEMBL398028)Show SMILES O=C(NCCCN1CCOCC1)[C@@H](Cc1ccccc1)NC(=O)C1(Cc2ccccc2C1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C35H38N4O4S/c40-32(36-15-8-16-39-17-19-43-20-18-39)29(21-25-9-2-1-3-10-25)37-34(42)35(23-27-12-4-5-13-28(27)24-35)38-33(41)31-22-26-11-6-7-14-30(26)44-31/h1-7,9-14,22,29H,8,15-21,23-24H2,(H,36,40)(H,37,42)(H,38,41)/t29-/m1/s1 | PDB
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UniChem
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Agonist activity at NK2 receptor in guinea pig smooth muscle |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50003005
(CHEMBL428906)Show SMILES NCCCCCCCNC(=O)C(Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C32H42N4O3S/c33-20-12-2-1-3-13-21-34-29(37)26(22-24-14-6-4-7-15-24)35-31(39)32(18-10-5-11-19-32)36-30(38)28-23-25-16-8-9-17-27(25)40-28/h4,6-9,14-17,23,26H,1-3,5,10-13,18-22,33H2,(H,34,37)(H,35,39)(H,36,38) | PDB
Reactome pathway
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50002941
(CHEMBL428203)Show SMILES O=C(NCCCN1CCOCC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C32H40N4O4S/c37-29(33-16-9-17-36-18-20-40-21-19-36)26(22-24-10-3-1-4-11-24)34-31(39)32(14-7-2-8-15-32)35-30(38)28-23-25-12-5-6-13-27(25)41-28/h1,3-6,10-13,23,26H,2,7-9,14-22H2,(H,33,37)(H,34,39)(H,35,38)/t26-/m1/s1 | PDB
UniProtKB/SwissProt
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Agonist activity at NK2 receptor in guinea pig smooth muscle |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50003007
(CHEMBL237082)Show SMILES CN1CCN(CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCCC2)NC(=O)c2cc3ccccc3s2)CC1 Show InChI InChI=1S/C33H43N5O3S/c1-37-19-21-38(22-20-37)18-10-17-34-30(39)27(23-25-11-4-2-5-12-25)35-32(41)33(15-8-3-9-16-33)36-31(40)29-24-26-13-6-7-14-28(26)42-29/h2,4-7,11-14,24,27H,3,8-10,15-23H2,1H3,(H,34,39)(H,35,41)(H,36,40)/t27-/m0/s1 | PDB
Reactome pathway
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50002947
(CHEMBL236873)Show SMILES CCN(CC)CCCNC(=O)C(Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C32H42N4O3S/c1-3-36(4-2)21-13-20-33-29(37)26(22-24-14-7-5-8-15-24)34-31(39)32(18-11-6-12-19-32)35-30(38)28-23-25-16-9-10-17-27(25)40-28/h5,7-10,14-17,23,26H,3-4,6,11-13,18-22H2,1-2H3,(H,33,37)(H,34,39)(H,35,38) | PDB
Reactome pathway
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50002952
(CHEMBL236874)Show SMILES NCCCCCCCCNC(=O)C(Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C33H44N4O3S/c34-21-13-3-1-2-4-14-22-35-30(38)27(23-25-15-7-5-8-16-25)36-32(40)33(19-11-6-12-20-33)37-31(39)29-24-26-17-9-10-18-28(26)41-29/h5,7-10,15-18,24,27H,1-4,6,11-14,19-23,34H2,(H,35,38)(H,36,40)(H,37,39) | PDB
Reactome pathway
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| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50002961
(CHEMBL237048)Show SMILES CN1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(Cc3ccccc3C2)NC(=O)c2cc3ccccc3s2)CC1 Show InChI InChI=1S/C36H41N5O3S/c1-40-18-20-41(21-19-40)17-9-16-37-33(42)30(22-26-10-3-2-4-11-26)38-35(44)36(24-28-13-5-6-14-29(28)25-36)39-34(43)32-23-27-12-7-8-15-31(27)45-32/h2-8,10-15,23,30H,9,16-22,24-25H2,1H3,(H,37,42)(H,38,44)(H,39,43)/t30-/m1/s1 | PDB
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| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Agonist activity at NK2 receptor in guinea pig smooth muscle |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50003009
(CHEMBL236458)Show SMILES NCc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCCC2)NC(=O)c2cc3ccccc3s2)cc1 Show InChI InChI=1S/C33H36N4O3S/c34-21-24-13-15-25(16-14-24)22-35-30(38)27(19-23-9-3-1-4-10-23)36-32(40)33(17-7-2-8-18-33)37-31(39)29-20-26-11-5-6-12-28(26)41-29/h1,3-6,9-16,20,27H,2,7-8,17-19,21-22,34H2,(H,35,38)(H,36,40)(H,37,39)/t27-/m0/s1 | PDB
Reactome pathway
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| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50002996
(CHEMBL396827)Show SMILES CCCCN(CCCC)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(Cc2ccccc2C1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C39H48N4O3S/c1-3-5-22-43(23-6-4-2)24-14-21-40-36(44)33(25-29-15-8-7-9-16-29)41-38(46)39(27-31-18-10-11-19-32(31)28-39)42-37(45)35-26-30-17-12-13-20-34(30)47-35/h7-13,15-20,26,33H,3-6,14,21-25,27-28H2,1-2H3,(H,40,44)(H,41,46)(H,42,45)/t33-/m1/s1 | PDB
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UniChem
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| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Agonist activity at NK2 receptor in guinea pig smooth muscle |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50003000
(CHEMBL394889)Show SMILES CC1CCCCN1CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C34H44N4O3S/c1-25-13-8-11-21-38(25)22-12-20-35-31(39)28(23-26-14-4-2-5-15-26)36-33(41)34(18-9-3-10-19-34)37-32(40)30-24-27-16-6-7-17-29(27)42-30/h2,4-7,14-17,24-25,28H,3,8-13,18-23H2,1H3,(H,35,39)(H,36,41)(H,37,40)/t25?,28-/m1/s1 | PDB
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PC sid
UniChem
Similars
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| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Agonist activity at NK2 receptor in guinea pig smooth muscle |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50002936
(CHEMBL394420)Show SMILES O=C(NCCCN1CCCC1)[C@@H](Cc1ccccc1)NC(=O)C1(Cc2ccccc2C1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C35H38N4O3S/c40-32(36-17-10-20-39-18-8-9-19-39)29(21-25-11-2-1-3-12-25)37-34(42)35(23-27-14-4-5-15-28(27)24-35)38-33(41)31-22-26-13-6-7-16-30(26)43-31/h1-7,11-16,22,29H,8-10,17-21,23-24H2,(H,36,40)(H,37,42)(H,38,41)/t29-/m1/s1 | PDB
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| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Agonist activity at NK2 receptor in guinea pig smooth muscle |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
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