Found 8 hits with Last Name = 'firth' and Initial = 'm' 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-P receptor
(Homo sapiens (Human)) | BDBM50425522
(CHEMBL2313630)Show SMILES CCOC(=O)N(C1CCN(CCn2c3ccccc3n(C(C)=C)c2=O)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C26H30Cl2N4O3/c1-4-35-26(34)32(20-9-10-21(27)22(28)17-20)19-11-13-29(14-12-19)15-16-30-23-7-5-6-8-24(23)31(18(2)3)25(30)33/h5-10,17,19H,2,4,11-16H2,1,3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at NK1 receptor (unknown origin) |
J Med Chem 56: 1197-210 (2013)
Article DOI: 10.1021/jm301653f
BindingDB Entry DOI: 10.7270/Q2HT2QM2 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50425524
(CHEMBL2313628)Show SMILES CCC(=O)N(C1CCN(CCn2c3ccccc3n(C(C)=C)c2=O)CC1)c1cccc(Cl)c1 Show InChI InChI=1S/C26H31ClN4O2/c1-4-25(32)31(22-9-7-8-20(27)18-22)21-12-14-28(15-13-21)16-17-29-23-10-5-6-11-24(23)30(19(2)3)26(29)33/h5-11,18,21H,2,4,12-17H2,1,3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at NK1 receptor (unknown origin) |
J Med Chem 56: 1197-210 (2013)
Article DOI: 10.1021/jm301653f
BindingDB Entry DOI: 10.7270/Q2HT2QM2 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50425521
(CHEMBL2313631)Show SMILES CCOC(=O)N(C1CCN(CCn2c3ccccc3n(C3CC3)c2=O)CC1)c1ccccc1 Show InChI InChI=1S/C26H32N4O3/c1-2-33-26(32)29(20-8-4-3-5-9-20)22-14-16-27(17-15-22)18-19-28-23-10-6-7-11-24(23)30(25(28)31)21-12-13-21/h3-11,21-22H,2,12-19H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to MOR (unknown origin) |
J Med Chem 56: 1197-210 (2013)
Article DOI: 10.1021/jm301653f
BindingDB Entry DOI: 10.7270/Q2HT2QM2 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50425523
(CHEMBL2313629)Show SMILES CCC(=O)N(C1CCN(CCn2c3ccccc3n(C(C)=C)c2=O)CC1)c1cc(Cl)ccc1Cl Show InChI InChI=1S/C26H30Cl2N4O2/c1-4-25(33)32(24-17-19(27)9-10-21(24)28)20-11-13-29(14-12-20)15-16-30-22-7-5-6-8-23(22)31(18(2)3)26(30)34/h5-10,17,20H,2,4,11-16H2,1,3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to MOR (unknown origin) |
J Med Chem 56: 1197-210 (2013)
Article DOI: 10.1021/jm301653f
BindingDB Entry DOI: 10.7270/Q2HT2QM2 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50425524
(CHEMBL2313628)Show SMILES CCC(=O)N(C1CCN(CCn2c3ccccc3n(C(C)=C)c2=O)CC1)c1cccc(Cl)c1 Show InChI InChI=1S/C26H31ClN4O2/c1-4-25(32)31(22-9-7-8-20(27)18-22)21-12-14-28(15-13-21)16-17-29-23-10-5-6-11-24(23)30(19(2)3)26(29)33/h5-11,18,21H,2,4,12-17H2,1,3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to MOR (unknown origin) |
J Med Chem 56: 1197-210 (2013)
Article DOI: 10.1021/jm301653f
BindingDB Entry DOI: 10.7270/Q2HT2QM2 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50425521
(CHEMBL2313631)Show SMILES CCOC(=O)N(C1CCN(CCn2c3ccccc3n(C3CC3)c2=O)CC1)c1ccccc1 Show InChI InChI=1S/C26H32N4O3/c1-2-33-26(32)29(20-8-4-3-5-9-20)22-14-16-27(17-15-22)18-19-28-23-10-6-7-11-24(23)30(25(28)31)21-12-13-21/h3-11,21-22H,2,12-19H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at NK1 receptor (unknown origin) |
J Med Chem 56: 1197-210 (2013)
Article DOI: 10.1021/jm301653f
BindingDB Entry DOI: 10.7270/Q2HT2QM2 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50425523
(CHEMBL2313629)Show SMILES CCC(=O)N(C1CCN(CCn2c3ccccc3n(C(C)=C)c2=O)CC1)c1cc(Cl)ccc1Cl Show InChI InChI=1S/C26H30Cl2N4O2/c1-4-25(33)32(24-17-19(27)9-10-21(24)28)20-11-13-29(14-12-20)15-16-30-22-7-5-6-8-23(22)31(18(2)3)26(30)34/h5-10,17,20H,2,4,11-16H2,1,3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at NK1 receptor (unknown origin) |
J Med Chem 56: 1197-210 (2013)
Article DOI: 10.1021/jm301653f
BindingDB Entry DOI: 10.7270/Q2HT2QM2 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50425522
(CHEMBL2313630)Show SMILES CCOC(=O)N(C1CCN(CCn2c3ccccc3n(C(C)=C)c2=O)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C26H30Cl2N4O3/c1-4-35-26(34)32(20-9-10-21(27)22(28)17-20)19-11-13-29(14-12-19)15-16-30-23-7-5-6-8-24(23)31(18(2)3)25(30)33/h5-10,17,19H,2,4,11-16H2,1,3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to MOR (unknown origin) |
J Med Chem 56: 1197-210 (2013)
Article DOI: 10.1021/jm301653f
BindingDB Entry DOI: 10.7270/Q2HT2QM2 |
More data for this
Ligand-Target Pair | |
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