BDBM87000 1-(2,2-diphenyl-benzo[1,3]dioxole-5-sulfonyl)-4-(4-fluoro-phenyl)-1,2,3,6-tetrahydro-pyridine::CAS_10097960::NSC_10097960
SMILES: Fc1ccc(cc1)C1=CCN(CC1)S(=O)(=O)c1ccc2OC(Oc2c1)(c1ccccc1)c1ccccc1
InChI Key: InChIKey=HAQRKBMHJXTTRZ-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 87000 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 |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM87000
(1-(2,2-diphenyl-benzo[1,3]dioxole-5-sulfonyl)-4-(4...)Show SMILES Fc1ccc(cc1)C1=CCN(CC1)S(=O)(=O)c1ccc2OC(Oc2c1)(c1ccccc1)c1ccccc1 |t:8| Show InChI InChI=1S/C30H24FNO4S/c31-26-13-11-22(12-14-26)23-17-19-32(20-18-23)37(33,34)27-15-16-28-29(21-27)36-30(35-28,24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-17,21H,18-20H2 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by PDSP Ki Database
| |
J Med Chem 51: 2115-27 (2008)
Article DOI: 10.1021/jm701487t BindingDB Entry DOI: 10.7270/Q26H4G0Z |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM87000
(1-(2,2-diphenyl-benzo[1,3]dioxole-5-sulfonyl)-4-(4...)Show SMILES Fc1ccc(cc1)C1=CCN(CC1)S(=O)(=O)c1ccc2OC(Oc2c1)(c1ccccc1)c1ccccc1 |t:8| Show InChI InChI=1S/C30H24FNO4S/c31-26-13-11-22(12-14-26)23-17-19-32(20-18-23)37(33,34)27-15-16-28-29(21-27)36-30(35-28,24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-17,21H,18-20H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by PDSP Ki Database
| |
J Med Chem 51: 2115-27 (2008)
Article DOI: 10.1021/jm701487t BindingDB Entry DOI: 10.7270/Q26H4G0Z |
More data for this Ligand-Target Pair | |