BDBM27337 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-(ethylamino)piperidine-4-carboxamide::CP-945,598
SMILES: CCNC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)C(N)=O
InChI Key: InChIKey=UNAZAADNBYXMIV-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM27337 (1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 0.700 | -12.7 | n/a | n/a | n/a | n/a | n/a | 7.4 | 30 |
Pfizer | Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c... | J Med Chem 52: 234-7 (2009) Article DOI: 10.1021/jm8012932 BindingDB Entry DOI: 10.7270/Q2CN7276 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM27337 (1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International Curated by ChEMBL | Assay Description Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes | J Med Chem 61: 4370-4385 (2018) Article DOI: 10.1021/acs.jmedchem.7b01820 BindingDB Entry DOI: 10.7270/Q20004QP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Rattus norvegicus (rat)) | BDBM27337 (1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 2.80 | -11.9 | n/a | n/a | n/a | n/a | n/a | 7.4 | 30 |
Pfizer | Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c... | J Med Chem 52: 234-7 (2009) Article DOI: 10.1021/jm8012932 BindingDB Entry DOI: 10.7270/Q2CN7276 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (Homo sapiens (Human)) | BDBM27337 (1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 7.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International Curated by ChEMBL | Assay Description Displacement of [3H]CP55940 from human CB2 expressed in CHOK1 cell membranes | J Med Chem 61: 4370-4385 (2018) Article DOI: 10.1021/acs.jmedchem.7b01820 BindingDB Entry DOI: 10.7270/Q20004QP | |||||||||||
More data for this Ligand-Target Pair |