Search and Browse
Download
Enter Data
BDBM50143270 7-[(R)-2-((S)-2-Acetylamino-5-guanidino-pentanoylamino)-3-cyclohexyl-propionylamino]-6-oxo-octahydro-quinolizine-4-carboxylic acid {(R)-1-[1-carbamoyl-2-((R)-4-chloro-phenyl)-ethylcarbamoyl]-4-ureido-butyl}-amide::CHEMBL3144468
SMILES: [H][C@]12[#6]-[#6]-[#6]-[#6@H](-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]2)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O
InChI Key: InChIKey=QENIEEMXDBPEDO-KDTLTVJNSA-N
Data: 4 KI
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Nociceptin receptor (Homo sapiens (Human)) | BDBM50143270 (7-[(R)-2-((S)-2-Acetylamino-5-guanidino-pentanoyla...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet  | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel Curated by ChEMBL | Assay Description Binding affinity against human opioid receptor like 1 (hORL) was determined using [leucyl-3H]nociceptin in vitro in CHO cells | J Med Chem 47: 1864-7 (2004) Article DOI: 10.1021/jm031034v BindingDB Entry DOI: 10.7270/Q25D8R81 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50143270 (7-[(R)-2-((S)-2-Acetylamino-5-guanidino-pentanoyla...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | 2.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel Curated by ChEMBL | Assay Description Binding affinity against human Opioid receptor mu 1 (hMOR) was determined using [3H]diprenorphine in vitro transfected to COS-1 cells | J Med Chem 47: 1864-7 (2004) Article DOI: 10.1021/jm031034v BindingDB Entry DOI: 10.7270/Q25D8R81 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50143270 (7-[(R)-2-((S)-2-Acetylamino-5-guanidino-pentanoyla...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | 4.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel Curated by ChEMBL | Assay Description Binding affinity against human Opioid receptor kappa 1 (hKOR) was determined using [3H]diprenorphine in vitro in CHO cells | J Med Chem 47: 1864-7 (2004) Article DOI: 10.1021/jm031034v BindingDB Entry DOI: 10.7270/Q25D8R81 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50143270 (7-[(R)-2-((S)-2-Acetylamino-5-guanidino-pentanoyla...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel Curated by ChEMBL | Assay Description Binding affinity against human opioid receptor delta 1 was determined using [3H]diprenorphine in vitro transfected to COS-1 cells | J Med Chem 47: 1864-7 (2004) Article DOI: 10.1021/jm031034v BindingDB Entry DOI: 10.7270/Q25D8R81 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
