Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50047626 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 |
|---|
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50180193
(AZD-2624 | AZD2624)Show SMILES CC[C@H](NC(=O)c1c(NS(C)(=O)=O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H25N3O3S/c1-3-21(18-12-6-4-7-13-18)28-26(30)23-20-16-10-11-17-22(20)27-24(19-14-8-5-9-15-19)25(23)29-33(2,31)32/h4-17,21,29H,3H2,1-2H3,(H,28,30)/t21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method |
Bioorg Med Chem 24: 3494-500 (2016)
Article DOI: 10.1016/j.bmc.2016.05.054
BindingDB Entry DOI: 10.7270/Q2RR216W |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50180171
(CHEMBL3813763)Show SMILES CC[C@H](NC(=O)c1c(NS(C)(=O)=O)c(nc2ccccc12)-c1ccccc1O)c1ccccc1 |r| Show InChI InChI=1S/C26H25N3O4S/c1-3-20(17-11-5-4-6-12-17)28-26(31)23-18-13-7-9-15-21(18)27-24(25(23)29-34(2,32)33)19-14-8-10-16-22(19)30/h4-16,20,29-30H,3H2,1-2H3,(H,28,31)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method |
Bioorg Med Chem 24: 3494-500 (2016)
Article DOI: 10.1016/j.bmc.2016.05.054
BindingDB Entry DOI: 10.7270/Q2RR216W |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50180169
(CHEMBL3814787)Show SMILES CC[C@H](NC(=O)c1c(S)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H22N2OS/c1-2-20(17-11-5-3-6-12-17)27-25(28)22-19-15-9-10-16-21(19)26-23(24(22)29)18-13-7-4-8-14-18/h3-16,20,29H,2H2,1H3,(H,27,28)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method |
Bioorg Med Chem 24: 3494-500 (2016)
Article DOI: 10.1016/j.bmc.2016.05.054
BindingDB Entry DOI: 10.7270/Q2RR216W |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50180174
(CHEMBL3813719)Show SMILES CC[C@H](NC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1O)c1ccccc1 |r| Show InChI InChI=1S/C25H22N2O3/c1-2-19(16-10-4-3-5-11-16)27-25(30)22-17-12-6-8-14-20(17)26-23(24(22)29)18-13-7-9-15-21(18)28/h3-15,19,28-29H,2H2,1H3,(H,27,30)/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method |
Bioorg Med Chem 24: 3494-500 (2016)
Article DOI: 10.1016/j.bmc.2016.05.054
BindingDB Entry DOI: 10.7270/Q2RR216W |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50051293
((S)-(-)-N-(R-ethylbenzyl)-3-hydroxy-2-phenylquinol...)Show SMILES CC[C@H](NC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H22N2O2/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18/h3-16,20,28H,2H2,1H3,(H,27,29)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method |
Bioorg Med Chem 24: 3494-500 (2016)
Article DOI: 10.1016/j.bmc.2016.05.054
BindingDB Entry DOI: 10.7270/Q2RR216W |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50180170
(CHEMBL3815065)Show SMILES CC[C@H](NC(=O)c1c(N=[N+]=[N-])c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H21N5O/c1-2-20(17-11-5-3-6-12-17)28-25(31)22-19-15-9-10-16-21(19)27-23(24(22)29-30-26)18-13-7-4-8-14-18/h3-16,20H,2H2,1H3,(H,28,31)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method |
Bioorg Med Chem 24: 3494-500 (2016)
Article DOI: 10.1016/j.bmc.2016.05.054
BindingDB Entry DOI: 10.7270/Q2RR216W |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50180175
(CHEMBL3813835)Show SMILES CC[C@H](NC(=O)c1c(O)c(nc2cc(OC)ccc12)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C26H24N2O3/c1-3-21(17-10-6-4-7-11-17)28-26(30)23-20-15-14-19(31-2)16-22(20)27-24(25(23)29)18-12-8-5-9-13-18/h4-16,21,29H,3H2,1-2H3,(H,28,30)/t21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method |
Bioorg Med Chem 24: 3494-500 (2016)
Article DOI: 10.1016/j.bmc.2016.05.054
BindingDB Entry DOI: 10.7270/Q2RR216W |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50180168
(CHEMBL3814967)Show SMILES CC[C@H](NC(=O)c1c(SCc2ccc(OC)cc2)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C33H30N2O2S/c1-3-28(24-12-6-4-7-13-24)35-33(36)30-27-16-10-11-17-29(27)34-31(25-14-8-5-9-15-25)32(30)38-22-23-18-20-26(37-2)21-19-23/h4-21,28H,3,22H2,1-2H3,(H,35,36)/t28-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 154 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method |
Bioorg Med Chem 24: 3494-500 (2016)
Article DOI: 10.1016/j.bmc.2016.05.054
BindingDB Entry DOI: 10.7270/Q2RR216W |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50180172
(CHEMBL3813735)Show SMILES CC[C@H](NC(=O)c1c(O)c(nc2cc(O)ccc12)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H22N2O3/c1-2-20(16-9-5-3-6-10-16)27-25(30)22-19-14-13-18(28)15-21(19)26-23(24(22)29)17-11-7-4-8-12-17/h3-15,20,28-29H,2H2,1H3,(H,27,30)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 245 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method |
Bioorg Med Chem 24: 3494-500 (2016)
Article DOI: 10.1016/j.bmc.2016.05.054
BindingDB Entry DOI: 10.7270/Q2RR216W |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50180173
(CHEMBL3815072)Show SMILES CC[C@H](NC(=O)c1c(O)c(nc2ccccc12)-c1ccc(O)cc1)c1ccccc1 |r| Show InChI InChI=1S/C25H22N2O3/c1-2-20(16-8-4-3-5-9-16)27-25(30)22-19-10-6-7-11-21(19)26-23(24(22)29)17-12-14-18(28)15-13-17/h3-15,20,28-29H,2H2,1H3,(H,27,30)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method |
Bioorg Med Chem 24: 3494-500 (2016)
Article DOI: 10.1016/j.bmc.2016.05.054
BindingDB Entry DOI: 10.7270/Q2RR216W |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50180176
(CHEMBL3814793)Show SMILES CC[C@H](NC(=O)c1c(O)c(nc2ccccc12)-c1ccc(OC)cc1)c1ccccc1 |r| Show InChI InChI=1S/C26H24N2O3/c1-3-21(17-9-5-4-6-10-17)28-26(30)23-20-11-7-8-12-22(20)27-24(25(23)29)18-13-15-19(31-2)16-14-18/h4-16,21,29H,3H2,1-2H3,(H,28,30)/t21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 965 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method |
Bioorg Med Chem 24: 3494-500 (2016)
Article DOI: 10.1016/j.bmc.2016.05.054
BindingDB Entry DOI: 10.7270/Q2RR216W |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50180184
(CHEMBL3813742)Show SMILES CC[C@H](NC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1OC)c1ccccc1 |r| Show InChI InChI=1S/C26H24N2O3/c1-3-20(17-11-5-4-6-12-17)28-26(30)23-18-13-7-9-15-21(18)27-24(25(23)29)19-14-8-10-16-22(19)31-2/h4-16,20,29H,3H2,1-2H3,(H,28,30)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method |
Bioorg Med Chem 24: 3494-500 (2016)
Article DOI: 10.1016/j.bmc.2016.05.054
BindingDB Entry DOI: 10.7270/Q2RR216W |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50180167
(CHEMBL3815160)Show SMILES CC[C@H](NC(=O)c1c(SSc2c(nc3ccccc3c2C(=O)N[C@@H](CC)c2ccccc2)-c2ccccc2)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C50H42N4O2S2/c1-3-39(33-21-9-5-10-22-33)53-49(55)43-37-29-17-19-31-41(37)51-45(35-25-13-7-14-26-35)47(43)57-58-48-44(50(56)54-40(4-2)34-23-11-6-12-24-34)38-30-18-20-32-42(38)52-46(48)36-27-15-8-16-28-36/h5-32,39-40H,3-4H2,1-2H3,(H,53,55)(H,54,56)/t39-,40-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method |
Bioorg Med Chem 24: 3494-500 (2016)
Article DOI: 10.1016/j.bmc.2016.05.054
BindingDB Entry DOI: 10.7270/Q2RR216W |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50180166
(CHEMBL3814985)Show SMILES CC[C@@H](c1ccccc1)n1sc2c(nc3ccccc3c2c1=O)-c1ccccc1 |r| Show InChI InChI=1S/C25H20N2OS/c1-2-21(17-11-5-3-6-12-17)27-25(28)22-19-15-9-10-16-20(19)26-23(24(22)29-27)18-13-7-4-8-14-18/h3-16,21H,2H2,1H3/t21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Displacement of [125I]His3-MePhe7)-NKB from human NK3R expressed in CHO cell membranes by topcounting method |
Bioorg Med Chem 24: 3494-500 (2016)
Article DOI: 10.1016/j.bmc.2016.05.054
BindingDB Entry DOI: 10.7270/Q2RR216W |
More data for this
Ligand-Target Pair | |
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