null
SMILES: CCOC(=O)N(C1CCN(CCn2c3ccccc3n(C(C)=C)c2=O)CC1)c1ccc(Cl)c(Cl)c1
InChI Key: InChIKey=QHYUCFPCBINQBH-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50425522 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 |
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 | |
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 | |