Found 49 hits of Enzyme Inhibition Constant Data 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)) | BDBM50415924
(CHEMBL1083850)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC2CCOCC2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H50N4O3S/c1-28-11-12-31-26-34(45-33(31)24-28)35(42)39-37(15-5-6-16-37)36(43)38-32(25-29-8-3-2-4-9-29)10-7-17-40-18-20-41(21-19-40)27-30-13-22-44-23-14-30/h2-4,8-9,11-12,24,26,30,32H,5-7,10,13-23,25,27H2,1H3,(H,38,43)(H,39,42)/t32-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415954
(CHEMBL1083858)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCN1CCN(CC1)C1CCOCC1)Cc1ccccc1 |r| Show InChI InChI=1S/C35H46N4O3S/c1-26-9-10-28-25-32(43-31(28)23-26)33(40)37-35(14-5-6-15-35)34(41)36-29(24-27-7-3-2-4-8-27)11-16-38-17-19-39(20-18-38)30-12-21-42-22-13-30/h2-4,7-10,23,25,29-30H,5-6,11-22,24H2,1H3,(H,36,41)(H,37,40)/t29-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415966
(CHEMBL1083974)Show SMILES N[C@@H](CCC(=O)N1CCN(CC2CCOCC2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C21H33N3O2/c22-20(16-18-4-2-1-3-5-18)6-7-21(25)24-12-10-23(11-13-24)17-19-8-14-26-15-9-19/h1-5,19-20H,6-17,22H2/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.0794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415928
(CHEMBL1083879)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC1)C(=O)C1CCOCC1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H48N4O4S/c1-27-11-12-30-26-33(46-32(30)24-27)34(42)39-37(15-5-6-16-37)36(44)38-31(25-28-8-3-2-4-9-28)10-7-17-40-18-20-41(21-19-40)35(43)29-13-22-45-23-14-29/h2-4,8-9,11-12,24,26,29,31H,5-7,10,13-23,25H2,1H3,(H,38,44)(H,39,42)/t31-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415943
(CHEMBL1083869)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(Cc2ccc(F)cc2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C38H45FN4O2S/c1-28-11-14-31-26-35(46-34(31)24-28)36(44)41-38(17-5-6-18-38)37(45)40-33(25-29-8-3-2-4-9-29)10-7-19-42-20-22-43(23-21-42)27-30-12-15-32(39)16-13-30/h2-4,8-9,11-16,24,26,33H,5-7,10,17-23,25,27H2,1H3,(H,40,45)(H,41,44)/t33-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415949
(CHEMBL1083863)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCC1CCN(CC2CCOCC2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C38H51N3O3S/c1-28-12-13-32-26-35(45-34(32)24-28)36(42)40-38(18-5-6-19-38)37(43)39-33(25-30-8-3-2-4-9-30)11-7-10-29-14-20-41(21-15-29)27-31-16-22-44-23-17-31/h2-4,8-9,12-13,24,26,29,31,33H,5-7,10-11,14-23,25,27H2,1H3,(H,39,43)(H,40,42)/t33-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415938
(CHEMBL1083875)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(Cc2ccoc2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C36H44N4O3S/c1-27-11-12-30-24-33(44-32(30)22-27)34(41)38-36(14-5-6-15-36)35(42)37-31(23-28-8-3-2-4-9-28)10-7-16-39-17-19-40(20-18-39)25-29-13-21-43-26-29/h2-4,8-9,11-13,21-22,24,26,31H,5-7,10,14-20,23,25H2,1H3,(H,37,42)(H,38,41)/t31-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415939
(CHEMBL1083874)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(Cc2ccsc2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C36H44N4O2S2/c1-27-11-12-30-24-33(44-32(30)22-27)34(41)38-36(14-5-6-15-36)35(42)37-31(23-28-8-3-2-4-9-28)10-7-16-39-17-19-40(20-18-39)25-29-13-21-43-26-29/h2-4,8-9,11-13,21-22,24,26,31H,5-7,10,14-20,23,25H2,1H3,(H,37,42)(H,38,41)/t31-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415970
(CHEMBL1083870)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(Cc2ccccn2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H45N5O2S/c1-28-14-15-30-26-34(45-33(30)24-28)35(43)40-37(16-6-7-17-37)36(44)39-31(25-29-10-3-2-4-11-29)13-9-19-41-20-22-42(23-21-41)27-32-12-5-8-18-38-32/h2-5,8,10-12,14-15,18,24,26,31H,6-7,9,13,16-17,19-23,25,27H2,1H3,(H,39,44)(H,40,43)/t31-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415940
(CHEMBL1083873)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(Cc2cccs2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C36H44N4O2S2/c1-27-13-14-29-25-33(44-32(29)23-27)34(41)38-36(15-5-6-16-36)35(42)37-30(24-28-9-3-2-4-10-28)11-7-17-39-18-20-40(21-19-39)26-31-12-8-22-43-31/h2-4,8-10,12-14,22-23,25,30H,5-7,11,15-21,24,26H2,1H3,(H,37,42)(H,38,41)/t30-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415968
(CHEMBL1083846)Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC2CCOCC2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C36H47ClN4O4/c37-30-10-11-32-29(24-30)25-33(45-32)34(42)39-36(14-4-5-15-36)35(43)38-31(23-27-7-2-1-3-8-27)9-6-16-40-17-19-41(20-18-40)26-28-12-21-44-22-13-28/h1-3,7-8,10-11,24-25,28,31H,4-6,9,12-23,26H2,(H,38,43)(H,39,42)/t31-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415960
(CHEMBL1083849)Show SMILES O=C(NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC2CCOCC2)CC1)Cc1ccccc1)c1cc2ccccc2s1 |r| Show InChI InChI=1S/C36H48N4O3S/c41-34(33-26-30-11-4-5-13-32(30)44-33)38-36(16-6-7-17-36)35(42)37-31(25-28-9-2-1-3-10-28)12-8-18-39-19-21-40(22-20-39)27-29-14-23-43-24-15-29/h1-5,9-11,13,26,29,31H,6-8,12,14-25,27H2,(H,37,42)(H,38,41)/t31-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415946
(CHEMBL1083866)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC1)C1CCOCC1)Cc1ccccc1 |r| Show InChI InChI=1S/C36H48N4O3S/c1-27-11-12-29-26-33(44-32(29)24-27)34(41)38-36(15-5-6-16-36)35(42)37-30(25-28-8-3-2-4-9-28)10-7-17-39-18-20-40(21-19-39)31-13-22-43-23-14-31/h2-4,8-9,11-12,24,26,30-31H,5-7,10,13-23,25H2,1H3,(H,37,42)(H,38,41)/t30-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415941
(CHEMBL1083872)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(Cc2ccncc2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H45N5O2S/c1-28-11-12-31-26-34(45-33(31)24-28)35(43)40-37(15-5-6-16-37)36(44)39-32(25-29-8-3-2-4-9-29)10-7-19-41-20-22-42(23-21-41)27-30-13-17-38-18-14-30/h2-4,8-9,11-14,17-18,24,26,32H,5-7,10,15-16,19-23,25,27H2,1H3,(H,39,44)(H,40,43)/t32-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50412318
(CHEMBL447439 | MEN-15702)Show SMILES Cc1ccc(cc1)-c1ccc(cc1)C(=O)NC1(CCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC1CCN(CC2CCOCC2)CC1 |r| Show InChI InChI=1S/C41H52N4O4/c1-30-9-11-34(12-10-30)35-13-15-36(16-14-35)38(46)44-41(21-5-6-22-41)40(48)43-37(27-31-7-3-2-4-8-31)39(47)42-28-32-17-23-45(24-18-32)29-33-19-25-49-26-20-33/h2-4,7-16,32-33,37H,5-6,17-29H2,1H3,(H,42,47)(H,43,48)(H,44,46)/t37-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415942
(CHEMBL1083871)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(Cc2cccnc2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H45N5O2S/c1-28-13-14-31-25-34(45-33(31)23-28)35(43)40-37(15-5-6-16-37)36(44)39-32(24-29-9-3-2-4-10-29)12-8-18-41-19-21-42(22-20-41)27-30-11-7-17-38-26-30/h2-4,7,9-11,13-14,17,23,25-26,32H,5-6,8,12,15-16,18-22,24,27H2,1H3,(H,39,44)(H,40,43)/t32-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415933
(CHEMBL1084160)Show SMILES CN(C)S(=O)(=O)N1CCN(CCC[C@@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC(=O)c2cc3ccc(C)cc3s2)CC1 |r| Show InChI InChI=1S/C33H45N5O4S2/c1-25-13-14-27-24-30(43-29(27)22-25)31(39)35-33(15-7-8-16-33)32(40)34-28(23-26-10-5-4-6-11-26)12-9-17-37-18-20-38(21-19-37)44(41,42)36(2)3/h4-6,10-11,13-14,22,24,28H,7-9,12,15-21,23H2,1-3H3,(H,34,40)(H,35,39)/t28-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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PC cid
PC sid
UniChem
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| Article
PubMed
| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415935
(CHEMBL1083878)Show SMILES CCOCCCN1CCN(CCC[C@@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC(=O)c2cc3ccc(C)cc3s2)CC1 |r| Show InChI InChI=1S/C36H50N4O3S/c1-3-43-24-10-19-40-22-20-39(21-23-40)18-9-13-31(26-29-11-5-4-6-12-29)37-35(42)36(16-7-8-17-36)38-34(41)33-27-30-15-14-28(2)25-32(30)44-33/h4-6,11-12,14-15,25,27,31H,3,7-10,13,16-24,26H2,1-2H3,(H,37,42)(H,38,41)/t31-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415936
(CHEMBL1083877)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(Cc2nnn(C)n2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C34H44N8O2S/c1-25-12-13-27-23-30(45-29(27)21-25)32(43)36-34(14-6-7-15-34)33(44)35-28(22-26-9-4-3-5-10-26)11-8-16-41-17-19-42(20-18-41)24-31-37-39-40(2)38-31/h3-5,9-10,12-13,21,23,28H,6-8,11,14-20,22,24H2,1-2H3,(H,35,44)(H,36,43)/t28-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415963
(CHEMBL1083561)Show SMILES O=C(NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC2CCOCC2)CC1)Cc1ccccc1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C38H50N4O3/c43-36(34-15-14-32-11-4-5-12-33(32)28-34)40-38(18-6-7-19-38)37(44)39-35(27-30-9-2-1-3-10-30)13-8-20-41-21-23-42(24-22-41)29-31-16-25-45-26-17-31/h1-5,9-12,14-15,28,31,35H,6-8,13,16-27,29H2,(H,39,44)(H,40,43)/t35-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415956
(CHEMBL1083855)Show SMILES CN(C1CCOCC1)C1CCN(CC[C@@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC(=O)c2cc3ccc(C)cc3s2)CC1 |r| Show InChI InChI=1S/C37H50N4O3S/c1-27-10-11-29-26-34(45-33(29)24-27)35(42)39-37(17-6-7-18-37)36(43)38-30(25-28-8-4-3-5-9-28)12-19-41-20-13-31(14-21-41)40(2)32-15-22-44-23-16-32/h3-5,8-11,24,26,30-32H,6-7,12-23,25H2,1-2H3,(H,38,43)(H,39,42)/t30-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415926
(CHEMBL1084158)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC1)C(=O)N1CCOCC1)Cc1ccccc1 |r| Show InChI InChI=1S/C36H47N5O4S/c1-27-11-12-29-26-32(46-31(29)24-27)33(42)38-36(13-5-6-14-36)34(43)37-30(25-28-8-3-2-4-9-28)10-7-15-39-16-18-40(19-17-39)35(44)41-20-22-45-23-21-41/h2-4,8-9,11-12,24,26,30H,5-7,10,13-23,25H2,1H3,(H,37,43)(H,38,42)/t30-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415967
(CHEMBL1083848)Show SMILES Cc1ccc2oc(cc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC2CCOCC2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H50N4O4/c1-28-11-12-33-31(24-28)26-34(45-33)35(42)39-37(15-5-6-16-37)36(43)38-32(25-29-8-3-2-4-9-29)10-7-17-40-18-20-41(21-19-40)27-30-13-22-44-23-14-30/h2-4,8-9,11-12,24,26,30,32H,5-7,10,13-23,25,27H2,1H3,(H,38,43)(H,39,42)/t32-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415929
(CHEMBL1083880)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC1)C(=O)c1cccn1C)Cc1ccccc1 |r| Show InChI InChI=1S/C37H45N5O3S/c1-27-14-15-29-26-33(46-32(29)24-27)34(43)39-37(16-6-7-17-37)36(45)38-30(25-28-10-4-3-5-11-28)12-8-19-41-20-22-42(23-21-41)35(44)31-13-9-18-40(31)2/h3-5,9-11,13-15,18,24,26,30H,6-8,12,16-17,19-23,25H2,1-2H3,(H,38,45)(H,39,43)/t30-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415951
(CHEMBL1083861)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@H](Cc1ccccc1)\C=C\CN1CCN(CC2CCOCC2)CC1 |r| Show InChI InChI=1S/C37H48N4O3S/c1-28-11-12-31-26-34(45-33(31)24-28)35(42)39-37(15-5-6-16-37)36(43)38-32(25-29-8-3-2-4-9-29)10-7-17-40-18-20-41(21-19-40)27-30-13-22-44-23-14-30/h2-4,7-12,24,26,30,32H,5-6,13-23,25,27H2,1H3,(H,38,43)(H,39,42)/b10-7+/t32-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415957
(CHEMBL1083854)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCC(CC1)N1CCOCC1)Cc1ccccc1 |r| Show InChI InChI=1S/C36H48N4O3S/c1-27-11-12-29-26-33(44-32(29)24-27)34(41)38-36(15-5-6-16-36)35(42)37-30(25-28-8-3-2-4-9-28)10-7-17-39-18-13-31(14-19-39)40-20-22-43-23-21-40/h2-4,8-9,11-12,24,26,30-31H,5-7,10,13-23,25H2,1H3,(H,37,42)(H,38,41)/t30-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415927
(CHEMBL1084159)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC1)S(=O)(=O)N1CCOCC1)Cc1ccccc1 |r| Show InChI InChI=1S/C35H47N5O5S2/c1-27-11-12-29-26-32(46-31(29)24-27)33(41)37-35(13-5-6-14-35)34(42)36-30(25-28-8-3-2-4-9-28)10-7-15-38-16-18-39(19-17-38)47(43,44)40-20-22-45-23-21-40/h2-4,8-9,11-12,24,26,30H,5-7,10,13-23,25H2,1H3,(H,36,42)(H,37,41)/t30-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415932
(CHEMBL1084162)Show SMILES CC(C)S(=O)(=O)N1CCN(CCC[C@@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC(=O)c2cc3ccc(C)cc3s2)CC1 |r| Show InChI InChI=1S/C34H46N4O4S2/c1-25(2)44(41,42)38-20-18-37(19-21-38)17-9-12-29(23-27-10-5-4-6-11-27)35-33(40)34(15-7-8-16-34)36-32(39)31-24-28-14-13-26(3)22-30(28)43-31/h4-6,10-11,13-14,22,24-25,29H,7-9,12,15-21,23H2,1-3H3,(H,35,40)(H,36,39)/t29-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415969
(CHEMBL1083560)Show SMILES O=C(NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC2CCOCC2)CC1)Cc1ccccc1)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C40H52N4O3/c45-38(36-17-15-35(16-18-36)34-12-5-2-6-13-34)42-40(21-7-8-22-40)39(46)41-37(30-32-10-3-1-4-11-32)14-9-23-43-24-26-44(27-25-43)31-33-19-28-47-29-20-33/h1-6,10-13,15-18,33,37H,7-9,14,19-31H2,(H,41,46)(H,42,45)/t37-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415947
(CHEMBL1083865)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](COCCC1CCN(CC2CCOCC2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C38H51N3O4S/c1-28-9-10-32-25-35(46-34(32)23-28)36(42)40-38(16-5-6-17-38)37(43)39-33(24-30-7-3-2-4-8-30)27-45-22-13-29-11-18-41(19-12-29)26-31-14-20-44-21-15-31/h2-4,7-10,23,25,29,31,33H,5-6,11-22,24,26-27H2,1H3,(H,39,43)(H,40,42)/t33-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415964
(CHEMBL1083559)Show SMILES Cc1ccc(cc1)-c1ccc(cc1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC2CCOCC2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C41H54N4O3/c1-32-11-13-35(14-12-32)36-15-17-37(18-16-36)39(46)43-41(21-5-6-22-41)40(47)42-38(30-33-8-3-2-4-9-33)10-7-23-44-24-26-45(27-25-44)31-34-19-28-48-29-20-34/h2-4,8-9,11-18,34,38H,5-7,10,19-31H2,1H3,(H,42,47)(H,43,46)/t38-/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
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415948
(CHEMBL1083864)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](COCC1CCN(CC2CCOCC2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H49N3O4S/c1-27-9-10-31-23-34(45-33(31)21-27)35(41)39-37(15-5-6-16-37)36(42)38-32(22-28-7-3-2-4-8-28)26-44-25-30-11-17-40(18-12-30)24-29-13-19-43-20-14-29/h2-4,7-10,21,23,29-30,32H,5-6,11-20,22,24-26H2,1H3,(H,38,42)(H,39,41)/t32-/m1/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
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415959
(CHEMBL1083851)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@H](CCCN1CCN(CC2CCOCC2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H50N4O3S/c1-28-11-12-31-26-34(45-33(31)24-28)35(42)39-37(15-5-6-16-37)36(43)38-32(25-29-8-3-2-4-9-29)10-7-17-40-18-20-41(21-19-40)27-30-13-22-44-23-14-30/h2-4,8-9,11-12,24,26,30,32H,5-7,10,13-23,25,27H2,1H3,(H,38,43)(H,39,42)/t32-/m1/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
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415931
(CHEMBL1084163)Show SMILES CCS(=O)(=O)N1CCN(CCC[C@@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC(=O)c2cc3ccc(C)cc3s2)CC1 |r| Show InChI InChI=1S/C33H44N4O4S2/c1-3-43(40,41)37-20-18-36(19-21-37)17-9-12-28(23-26-10-5-4-6-11-26)34-32(39)33(15-7-8-16-33)35-31(38)30-24-27-14-13-25(2)22-29(27)42-30/h4-6,10-11,13-14,22,24,28H,3,7-9,12,15-21,23H2,1-2H3,(H,34,39)(H,35,38)/t28-/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
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415945
(CHEMBL1083867)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC1)c1ccccn1)Cc1ccccc1 |r| Show InChI InChI=1S/C36H43N5O2S/c1-27-14-15-29-26-32(44-31(29)24-27)34(42)39-36(16-6-7-17-36)35(43)38-30(25-28-10-3-2-4-11-28)12-9-19-40-20-22-41(23-21-40)33-13-5-8-18-37-33/h2-5,8,10-11,13-15,18,24,26,30H,6-7,9,12,16-17,19-23,25H2,1H3,(H,38,43)(H,39,42)/t30-/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
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415925
(CHEMBL1084161)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC1)S(N)(=O)=O)Cc1ccccc1 |r| Show InChI InChI=1S/C31H41N5O4S2/c1-23-11-12-25-22-28(41-27(25)20-23)29(37)34-31(13-5-6-14-31)30(38)33-26(21-24-8-3-2-4-9-24)10-7-15-35-16-18-36(19-17-35)42(32,39)40/h2-4,8-9,11-12,20,22,26H,5-7,10,13-19,21H2,1H3,(H,33,38)(H,34,37)(H2,32,39,40)/t26-/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
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415962
(CHEMBL1084765)Show SMILES O=C(NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC2CCOCC2)CC1)Cc1ccccc1)c1cc2ccccc2o1 |r| Show InChI InChI=1S/C36H48N4O4/c41-34(33-26-30-11-4-5-13-32(30)44-33)38-36(16-6-7-17-36)35(42)37-31(25-28-9-2-1-3-10-28)12-8-18-39-19-21-40(22-20-39)27-29-14-23-43-24-15-29/h1-5,9-11,13,26,29,31H,6-8,12,14-25,27H2,(H,37,42)(H,38,41)/t31-/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
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415961
(CHEMBL1083847)Show SMILES COc1ccc2oc(cc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC2CCOCC2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H50N4O5/c1-44-32-11-12-33-30(25-32)26-34(46-33)35(42)39-37(15-5-6-16-37)36(43)38-31(24-28-8-3-2-4-9-28)10-7-17-40-18-20-41(21-19-40)27-29-13-22-45-23-14-29/h2-4,8-9,11-12,25-26,29,31H,5-7,10,13-24,27H2,1H3,(H,38,43)(H,39,42)/t31-/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
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415930
(CHEMBL1084164)Show SMILES CC\N=C(/N1CCOCC1)N1CCN(CCC[C@@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC(=O)c2cc3ccc(C)cc3s2)CC1 |r| Show InChI InChI=1S/C38H52N6O3S/c1-3-39-37(44-22-24-47-25-23-44)43-20-18-42(19-21-43)17-9-12-32(27-30-10-5-4-6-11-30)40-36(46)38(15-7-8-16-38)41-35(45)34-28-31-14-13-29(2)26-33(31)48-34/h4-6,10-11,13-14,26,28,32H,3,7-9,12,15-25,27H2,1-2H3,(H,40,46)(H,41,45)/b39-37-/t32-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415944
(CHEMBL1083868)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC1)c1ncccn1)Cc1ccccc1 |r| Show InChI InChI=1S/C35H42N6O2S/c1-26-12-13-28-25-31(44-30(28)23-26)32(42)39-35(14-5-6-15-35)33(43)38-29(24-27-9-3-2-4-10-27)11-7-18-40-19-21-41(22-20-40)34-36-16-8-17-37-34/h2-4,8-10,12-13,16-17,23,25,29H,5-7,11,14-15,18-22,24H2,1H3,(H,38,43)(H,39,42)/t29-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415952
(CHEMBL1083860)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCC(CC1)C(=O)N1CCOCC1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H48N4O4S/c1-27-11-12-30-26-33(46-32(30)24-27)34(42)39-37(15-5-6-16-37)36(44)38-31(25-28-8-3-2-4-9-28)10-7-17-40-18-13-29(14-19-40)35(43)41-20-22-45-23-21-41/h2-4,8-9,11-12,24,26,29,31H,5-7,10,13-23,25H2,1H3,(H,38,44)(H,39,42)/t31-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415937
(CHEMBL1083876)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(Cc2cnc[nH]2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C35H44N6O2S/c1-26-11-12-28-22-32(44-31(28)20-26)33(42)39-35(13-5-6-14-35)34(43)38-29(21-27-8-3-2-4-9-27)10-7-15-40-16-18-41(19-17-40)24-30-23-36-25-37-30/h2-4,8-9,11-12,20,22-23,25,29H,5-7,10,13-19,21,24H2,1H3,(H,36,37)(H,38,43)(H,39,42)/t29-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415958
(CHEMBL1083852)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCC(CN2CCOCC2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H50N4O3S/c1-28-11-12-31-26-34(45-33(31)24-28)35(42)39-37(15-5-6-16-37)36(43)38-32(25-29-8-3-2-4-9-29)10-7-17-40-18-13-30(14-19-40)27-41-20-22-44-23-21-41/h2-4,8-9,11-12,24,26,30,32H,5-7,10,13-23,25,27H2,1H3,(H,38,43)(H,39,42)/t32-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415971
(CHEMBL1083856)Show SMILES CN(C1CCOCC1)C1CCN(CCC[C@@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC(=O)c2cc3ccc(C)cc3s2)CC1 |r| Show InChI InChI=1S/C38H52N4O3S/c1-28-12-13-30-27-35(46-34(30)25-28)36(43)40-38(18-6-7-19-38)37(44)39-31(26-29-9-4-3-5-10-29)11-8-20-42-21-14-32(15-22-42)41(2)33-16-23-45-24-17-33/h3-5,9-10,12-13,25,27,31-33H,6-8,11,14-24,26H2,1-2H3,(H,39,44)(H,40,43)/t31-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415953
(CHEMBL1083859)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CN1CCN(CC2CCOCC2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C35H46N4O3S/c1-26-9-10-29-23-32(43-31(29)21-26)33(40)37-35(13-5-6-14-35)34(41)36-30(22-27-7-3-2-4-8-27)25-39-17-15-38(16-18-39)24-28-11-19-42-20-12-28/h2-4,7-10,21,23,28,30H,5-6,11-20,22,24-25H2,1H3,(H,36,41)(H,37,40)/t30-/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
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415955
(CHEMBL1083857)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCC(CCO)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C34H45N3O3S/c1-25-11-12-28-24-31(41-30(28)22-25)32(39)36-34(16-5-6-17-34)33(40)35-29(23-27-8-3-2-4-9-27)10-7-18-37-19-13-26(14-20-37)15-21-38/h2-4,8-9,11-12,22,24,26,29,38H,5-7,10,13-21,23H2,1H3,(H,35,40)(H,36,39)/t29-/m0/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
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415965
(CHEMBL1083853)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCN1CCC(CC1)N1CCOCC1)Cc1ccccc1 |r| Show InChI InChI=1S/C35H46N4O3S/c1-26-9-10-28-25-32(43-31(28)23-26)33(40)37-35(14-5-6-15-35)34(41)36-29(24-27-7-3-2-4-8-27)11-16-38-17-12-30(13-18-38)39-19-21-42-22-20-39/h2-4,7-10,23,25,29-30H,5-6,11-22,24H2,1H3,(H,36,41)(H,37,40)/t29-/m0/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
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415934
(CHEMBL1084251)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC1)C=O)Cc1ccccc1 |r| Show InChI InChI=1S/C32H40N4O3S/c1-24-11-12-26-22-29(40-28(26)20-24)30(38)34-32(13-5-6-14-32)31(39)33-27(21-25-8-3-2-4-9-25)10-7-15-35-16-18-36(23-37)19-17-35/h2-4,8-9,11-12,20,22-23,27H,5-7,10,13-19,21H2,1H3,(H,33,39)(H,34,38)/t27-/m0/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
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415950
(CHEMBL1083862)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCN1CCN(CC2CCOCC2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C36H48N4O3S/c1-27-9-10-30-25-33(44-32(30)23-27)34(41)38-36(14-5-6-15-36)35(42)37-31(24-28-7-3-2-4-8-28)11-16-39-17-19-40(20-18-39)26-29-12-21-43-22-13-29/h2-4,7-10,23,25,29,31H,5-6,11-22,24,26H2,1H3,(H,37,42)(H,38,41)/t31-/m0/s1 | PDB
Reactome pathway
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Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
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