Found 30 hits of ki for UniProtKB: P16177 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Neuromedin-K receptor
(Rattus norvegicus) | BDBM50290462
(CHEMBL305119 | potassium 2N-[1-benzyl(methyl)carba...)Show SMILES CN(Cc1ccccc1)C(=O)C(Cc1ccc2ccccc2c1)NC(=O)C1CC(O)CN1C(=O)c1cn(CCCCc2nn[n-]n2)c2ccccc12 Show InChI InChI=1S/C40H42N8O4/c1-46(24-27-11-3-2-4-12-27)40(52)34(22-28-18-19-29-13-5-6-14-30(29)21-28)41-38(50)36-23-31(49)25-48(36)39(51)33-26-47(35-16-8-7-15-32(33)35)20-10-9-17-37-42-44-45-43-37/h2-8,11-16,18-19,21,26,31,34,36,49H,9-10,17,20,22-25H2,1H3,(H2,41,42,43,44,45,50)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity of the compound for NK-3 receptor was determined in vitro using isolated rat portal vein. |
Bioorg Med Chem Lett 7: 203-208 (1997)
Article DOI: 10.1016/S0960-894X(96)00604-X
BindingDB Entry DOI: 10.7270/Q2VD6ZGN |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Rattus norvegicus) | BDBM50290461
(CHEMBL65468 | potassium 3,5-di(trifluoromethyl)ben...)Show SMILES OC1CC(N(C1)C(=O)c1cn(CCCCc2nn[n-]n2)c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C39H36F6N8O5/c40-38(41,42)24-13-22(14-25(16-24)39(43,44)45)21-58-37(57)31(15-23-18-46-30-9-3-1-7-27(23)30)47-35(55)33-17-26(54)19-53(33)36(56)29-20-52(32-10-4-2-8-28(29)32)12-6-5-11-34-48-50-51-49-34/h1-4,7-10,13-14,16,18,20,26,31,33,46,54H,5-6,11-12,15,17,19,21H2,(H2,47,48,49,50,51,55)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity of the compound for NK-3 receptor was determined in vitro using isolated rat portal vein. |
Bioorg Med Chem Lett 7: 203-208 (1997)
Article DOI: 10.1016/S0960-894X(96)00604-X
BindingDB Entry DOI: 10.7270/Q2VD6ZGN |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Rattus norvegicus) | BDBM50081194
(CHEMBL3422009 | US10544150, Compound 156)Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)-c1ccc(F)cc1F)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C26H19F2N5OS2/c1-15-23-30-31-24(21-14-36-25(29-21)19-9-8-18(27)13-20(19)28)33(23)11-10-32(15)26(34)17-6-4-16(5-7-17)22-3-2-12-35-22/h2-9,12-15H,10-11H2,1H3/t15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis |
J Med Chem 58: 3060-82 (2015)
Article DOI: 10.1021/jm5017413
BindingDB Entry DOI: 10.7270/Q2ZP47TC |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Rattus norvegicus) | BDBM50081194
(CHEMBL3422009 | US10544150, Compound 156)Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(n1)-c1ccc(F)cc1F)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C26H19F2N5OS2/c1-15-23-30-31-24(21-14-36-25(29-21)19-9-8-18(27)13-20(19)28)33(23)11-10-32(15)26(34)17-6-4-16(5-7-17)22-3-2-12-35-22/h2-9,12-15H,10-11H2,1H3/t15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis |
J Med Chem 58: 3060-82 (2015)
Article DOI: 10.1021/jm5017413
BindingDB Entry DOI: 10.7270/Q2ZP47TC |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Rattus norvegicus) | BDBM50081198
(CHEMBL3422018 | US10065961, Compound 24 | US947581...)Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C20H18N6OS2/c1-12-17-22-23-18(19-21-13(2)24-29-19)26(17)10-9-25(12)20(27)15-7-5-14(6-8-15)16-4-3-11-28-16/h3-8,11-12H,9-10H2,1-2H3/t12-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis |
J Med Chem 58: 3060-82 (2015)
Article DOI: 10.1021/jm5017413
BindingDB Entry DOI: 10.7270/Q2ZP47TC |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Rattus norvegicus) | BDBM50081198
(CHEMBL3422018 | US10065961, Compound 24 | US947581...)Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C20H18N6OS2/c1-12-17-22-23-18(19-21-13(2)24-29-19)26(17)10-9-25(12)20(27)15-7-5-14(6-8-15)16-4-3-11-28-16/h3-8,11-12H,9-10H2,1-2H3/t12-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis |
J Med Chem 58: 3060-82 (2015)
Article DOI: 10.1021/jm5017413
BindingDB Entry DOI: 10.7270/Q2ZP47TC |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Rattus norvegicus) | BDBM50081198
(CHEMBL3422018 | US10065961, Compound 24 | US947581...)Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C20H18N6OS2/c1-12-17-22-23-18(19-21-13(2)24-29-19)26(17)10-9-25(12)20(27)15-7-5-14(6-8-15)16-4-3-11-28-16/h3-8,11-12H,9-10H2,1-2H3/t12-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA
Curated by ChEMBL
| Assay Description
Binding affinity to rat NK3R |
ACS Med Chem Lett 6: 736-40 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00117
BindingDB Entry DOI: 10.7270/Q2TQ639V |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Rattus norvegicus) | BDBM50081196
(CHEMBL3422015 | US10065961, Compound 13 | US106832...)Show SMILES CC(C)c1nc(co1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C23H23N5O2S/c1-14(2)22-24-18(13-30-22)21-26-25-20-15(3)27(10-11-28(20)21)23(29)17-8-6-16(7-9-17)19-5-4-12-31-19/h4-9,12-15H,10-11H2,1-3H3/t15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis |
J Med Chem 58: 3060-82 (2015)
Article DOI: 10.1021/jm5017413
BindingDB Entry DOI: 10.7270/Q2ZP47TC |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Rattus norvegicus) | BDBM50081196
(CHEMBL3422015 | US10065961, Compound 13 | US106832...)Show SMILES CC(C)c1nc(co1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C23H23N5O2S/c1-14(2)22-24-18(13-30-22)21-26-25-20-15(3)27(10-11-28(20)21)23(29)17-8-6-16(7-9-17)19-5-4-12-31-19/h4-9,12-15H,10-11H2,1-3H3/t15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis |
J Med Chem 58: 3060-82 (2015)
Article DOI: 10.1021/jm5017413
BindingDB Entry DOI: 10.7270/Q2ZP47TC |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Rattus norvegicus) | BDBM50291261
((S)-(+)-N-((3-[1-Benzoyl-3-(3,4-dichlorophenyl)pip...)Show SMILES CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r| Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis |
J Med Chem 58: 3060-82 (2015)
Article DOI: 10.1021/jm5017413
BindingDB Entry DOI: 10.7270/Q2ZP47TC |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Rattus norvegicus) | BDBM50291261
((S)-(+)-N-((3-[1-Benzoyl-3-(3,4-dichlorophenyl)pip...)Show SMILES CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r| Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 50.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis |
J Med Chem 58: 3060-82 (2015)
Article DOI: 10.1021/jm5017413
BindingDB Entry DOI: 10.7270/Q2ZP47TC |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Rattus norvegicus) | BDBM50291261
((S)-(+)-N-((3-[1-Benzoyl-3-(3,4-dichlorophenyl)pip...)Show SMILES CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r| Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA
Curated by ChEMBL
| Assay Description
Binding affinity to rat NK3 receptor by radioligand binding assay |
Bioorg Med Chem Lett 21: 1991-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.033
BindingDB Entry DOI: 10.7270/Q2B56K16 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Rattus norvegicus) | BDBM50081195
(CHEMBL3422010 | US10065961, Compound 1 | US1068329...)Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis |
J Med Chem 58: 3060-82 (2015)
Article DOI: 10.1021/jm5017413
BindingDB Entry DOI: 10.7270/Q2ZP47TC |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Rattus norvegicus) | BDBM50081195
(CHEMBL3422010 | US10065961, Compound 1 | US1068329...)Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA
Curated by ChEMBL
| Assay Description
Binding affinity to rat NK3R |
ACS Med Chem Lett 6: 736-40 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00117
BindingDB Entry DOI: 10.7270/Q2TQ639V |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Rattus norvegicus) | BDBM50081195
(CHEMBL3422010 | US10065961, Compound 1 | US1068329...)Show SMILES C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 79 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis |
J Med Chem 58: 3060-82 (2015)
Article DOI: 10.1021/jm5017413
BindingDB Entry DOI: 10.7270/Q2ZP47TC |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Rattus norvegicus) | BDBM50112180
(CHEMBL3608688 | US10030025, Compound 41 | US108367...)Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(ns1)C(F)(F)F)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C16H12F4N6OS/c1-8-11-22-23-12(13-21-15(24-28-13)16(18,19)20)26(11)7-6-25(8)14(27)9-2-4-10(17)5-3-9/h2-5,8H,6-7H2,1H3/t8-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA
Curated by ChEMBL
| Assay Description
Binding affinity to rat NK3R |
ACS Med Chem Lett 6: 736-40 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00117
BindingDB Entry DOI: 10.7270/Q2TQ639V |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Rattus norvegicus) | BDBM50081197
(CHEMBL3422017 | US10065961, Compound 23 | US106832...)Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)no1)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C20H18N6O2S/c1-12-17-22-23-18(19-21-13(2)24-28-19)26(17)10-9-25(12)20(27)15-7-5-14(6-8-15)16-4-3-11-29-16/h3-8,11-12H,9-10H2,1-2H3/t12-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 116 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis |
J Med Chem 58: 3060-82 (2015)
Article DOI: 10.1021/jm5017413
BindingDB Entry DOI: 10.7270/Q2ZP47TC |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Rattus norvegicus) | BDBM50081197
(CHEMBL3422017 | US10065961, Compound 23 | US106832...)Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)no1)C(=O)c1ccc(cc1)-c1cccs1 |r| Show InChI InChI=1S/C20H18N6O2S/c1-12-17-22-23-18(19-21-13(2)24-28-19)26(17)10-9-25(12)20(27)15-7-5-14(6-8-15)16-4-3-11-29-16/h3-8,11-12H,9-10H2,1-2H3/t12-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis |
J Med Chem 58: 3060-82 (2015)
Article DOI: 10.1021/jm5017413
BindingDB Entry DOI: 10.7270/Q2ZP47TC |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Rattus norvegicus) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
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Similars
| Article
PubMed
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA
Curated by ChEMBL
| Assay Description
Binding affinity to rat NK3 receptor by radioligand binding assay |
Bioorg Med Chem Lett 21: 1991-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.033
BindingDB Entry DOI: 10.7270/Q2B56K16 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Rattus norvegicus) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
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Similars
| Article
PubMed
| 193 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis |
J Med Chem 58: 3060-82 (2015)
Article DOI: 10.1021/jm5017413
BindingDB Entry DOI: 10.7270/Q2ZP47TC |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Rattus norvegicus) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SB222200 from rat NK3R after 90 mins by scintillation counting analysis |
J Med Chem 58: 3060-82 (2015)
Article DOI: 10.1021/jm5017413
BindingDB Entry DOI: 10.7270/Q2ZP47TC |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Rattus norvegicus) | BDBM50112244
(CHEMBL3608680 | US10030025, Compound 5 | US1083676...)Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C16H15FN6OS/c1-9-13-19-20-14(15-18-10(2)21-25-15)23(13)8-7-22(9)16(24)11-3-5-12(17)6-4-11/h3-6,9H,7-8H2,1-2H3/t9-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| Purchase
CHEMBL
MCE
PC cid
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UniChem
Similars
| Article
PubMed
| 219 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA
Curated by ChEMBL
| Assay Description
Binding affinity to rat NK3R |
ACS Med Chem Lett 6: 736-40 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00117
BindingDB Entry DOI: 10.7270/Q2TQ639V |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Rattus norvegicus) | BDBM50112245
(CHEMBL3608741 | US10030025, Compound 11 | US108367...)Show SMILES Cc1nsc(n1)-c1nnc2[C@@H](CCO)N(CCn12)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H17FN6O2S/c1-10-19-16(27-22-10)15-21-20-14-13(6-9-25)23(7-8-24(14)15)17(26)11-2-4-12(18)5-3-11/h2-5,13,25H,6-9H2,1H3/t13-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 244 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA
Curated by ChEMBL
| Assay Description
Binding affinity to rat NK3R |
ACS Med Chem Lett 6: 736-40 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00117
BindingDB Entry DOI: 10.7270/Q2TQ639V |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Rattus norvegicus) | BDBM50341075
((3-(4-chlorophenyl)-1H-pyrazol-5-yl)(4-(2-methoxyp...)Show SMILES COc1ccccc1N1CCN(CC1)C(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H21ClN4O2/c1-28-20-5-3-2-4-19(20)25-10-12-26(13-11-25)21(27)18-14-17(23-24-18)15-6-8-16(22)9-7-15/h2-9,14H,10-13H2,1H3,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA
Curated by ChEMBL
| Assay Description
Binding affinity to rat NK3 receptor |
Bioorg Med Chem Lett 21: 1991-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.033
BindingDB Entry DOI: 10.7270/Q2B56K16 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Rattus norvegicus) | BDBM50112179
(CHEMBL3608740 | US10030025, Compound 20 | US108367...)Show SMILES C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C16H16N6OS/c1-10-13-18-19-14(15-17-11(2)20-24-15)22(13)9-8-21(10)16(23)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3/t10-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 573 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA
Curated by ChEMBL
| Assay Description
Binding affinity to rat NK3R |
ACS Med Chem Lett 6: 736-40 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00117
BindingDB Entry DOI: 10.7270/Q2TQ639V |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Rattus norvegicus) | BDBM50112183
(CHEMBL3608684 | US10214533, Compound 1 | US9969738...)Show InChI InChI=1S/C15H13FN6OS/c1-9-17-14(24-20-9)13-19-18-12-8-21(6-7-22(12)13)15(23)10-2-4-11(16)5-3-10/h2-5H,6-8H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA
Curated by ChEMBL
| Assay Description
Binding affinity to rat NK3R |
ACS Med Chem Lett 6: 736-40 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00117
BindingDB Entry DOI: 10.7270/Q2TQ639V |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Rattus norvegicus) | BDBM50341081
((5-(4-chlorophenyl)-1-methyl-1H-pyrazol-3-yl)(4-(2...)Show SMILES COc1ccccc1N1CCN(CC1)C(=O)c1cc(-c2ccc(Cl)cc2)n(C)n1 Show InChI InChI=1S/C22H23ClN4O2/c1-25-20(16-7-9-17(23)10-8-16)15-18(24-25)22(28)27-13-11-26(12-14-27)19-5-3-4-6-21(19)29-2/h3-10,15H,11-14H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC sid
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Similars
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PubMed
| 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA
Curated by ChEMBL
| Assay Description
Binding affinity to rat NK3 receptor by radioligand binding assay |
Bioorg Med Chem Lett 21: 1991-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.033
BindingDB Entry DOI: 10.7270/Q2B56K16 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Rattus norvegicus) | BDBM50341080
((3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yl)(4-(2...)Show SMILES COc1ccccc1N1CCN(CC1)C(=O)c1cc(nn1C)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H23ClN4O2/c1-25-20(15-18(24-25)16-7-9-17(23)10-8-16)22(28)27-13-11-26(12-14-27)19-5-3-4-6-21(19)29-2/h3-10,15H,11-14H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA
Curated by ChEMBL
| Assay Description
Binding affinity to rat NK3 receptor by radioligand binding assay |
Bioorg Med Chem Lett 21: 1991-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.033
BindingDB Entry DOI: 10.7270/Q2B56K16 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Rattus norvegicus) | BDBM50341076
((3-(4-chlorophenyl)-1H-pyrazol-5-yl)(4-(2-methoxyb...)Show SMILES COc1ccccc1CN1CCN(CC1)C(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H23ClN4O2/c1-29-21-5-3-2-4-17(21)15-26-10-12-27(13-11-26)22(28)20-14-19(24-25-20)16-6-8-18(23)9-7-16/h2-9,14H,10-13,15H2,1H3,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA
Curated by ChEMBL
| Assay Description
Binding affinity to rat NK3 receptor |
Bioorg Med Chem Lett 21: 1991-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.033
BindingDB Entry DOI: 10.7270/Q2B56K16 |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Rattus norvegicus) | BDBM50341074
((4-(2-methoxyphenyl)piperazin-1-yl)(3-phenyl-1H-py...)Show SMILES COc1ccccc1N1CCN(CC1)C(=O)c1cc(n[nH]1)-c1ccccc1 Show InChI InChI=1S/C21H22N4O2/c1-27-20-10-6-5-9-19(20)24-11-13-25(14-12-24)21(26)18-15-17(22-23-18)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
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Similars
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PubMed
| 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Euroscreen SA
Curated by ChEMBL
| Assay Description
Binding affinity to rat NK3 receptor |
Bioorg Med Chem Lett 21: 1991-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.033
BindingDB Entry DOI: 10.7270/Q2B56K16 |
More data for this
Ligand-Target Pair | |
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