BDBM50122544 4,13-difluoro-20-azapentacyclo[7.6.5.02,7.010,15.016,20]icosa-2(7),3,5,12,14-pentaene
SMILES: FC1=CC[C@H]2[C@@H]3Cc4ccc(F)cc4[C@H]([C@@H]4CCCN34)C2=C1
InChI Key: InChIKey=VXCWNEXLEQTYFT-FCLVOEFKSA-N
Data: 3 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50122544 (4,13-difluoro-20-azapentacyclo[7.6.5.02,7.010,15.0...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al Curated by ChEMBL | Assay Description In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells | J Med Chem 46: 34-48 (2002) Article DOI: 10.1021/jm020164l BindingDB Entry DOI: 10.7270/Q2TM7BTT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50122544 (4,13-difluoro-20-azapentacyclo[7.6.5.02,7.010,15.0...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al Curated by ChEMBL | Assay Description In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells | J Med Chem 46: 34-48 (2002) Article DOI: 10.1021/jm020164l BindingDB Entry DOI: 10.7270/Q2TM7BTT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50122544 (4,13-difluoro-20-azapentacyclo[7.6.5.02,7.010,15.0...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 103 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al Curated by ChEMBL | Assay Description Tested for effective concentration against cloned human Opioid receptor mu 1 | J Med Chem 46: 34-48 (2002) Article DOI: 10.1021/jm020164l BindingDB Entry DOI: 10.7270/Q2TM7BTT | |||||||||||
More data for this Ligand-Target Pair |