BDBM50494951 CHEMBL3099054

SMILES: CC(C)(O)c1cc(ccc1Cl)-c1nc(NCCc2ccc(F)cc2)nc(OCF)n1

InChI Key: InChIKey=SKEDRVPSLUBJPX-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50494951   

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))	BDBM50494951 (CHEMBL3099054) Show SMILES CC(C)(O)c1cc(ccc1Cl)-c1nc(NCCc2ccc(F)cc2)nc(OCF)n1 Show InChI InChI=1S/C21H21ClF2N4O2/c1-21(2,29)16-11-14(5-8-17(16)22)18-26-19(28-20(27-18)30-12-23)25-10-9-13-3-6-15(24)7-4-13/h3-8,11,29H,9-10,12H2,1-2H3,(H,25,26,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi R&D Curated by ChEMBL					Assay Description Binding affinity to human CB1 receptor				Bioorg Med Chem Lett 24: 283-7 (2014) Article DOI: 10.1016/j.bmcl.2013.11.023 BindingDB Entry DOI: 10.7270/Q2ZC85VD
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50494951 (CHEMBL3099054) Show SMILES CC(C)(O)c1cc(ccc1Cl)-c1nc(NCCc2ccc(F)cc2)nc(OCF)n1 Show InChI InChI=1S/C21H21ClF2N4O2/c1-21(2,29)16-11-14(5-8-17(16)22)18-26-19(28-20(27-18)30-12-23)25-10-9-13-3-6-15(24)7-4-13/h3-8,11,29H,9-10,12H2,1-2H3,(H,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi R&D Curated by ChEMBL					Assay Description Binding affinity to human CB2 receptor expressed in CHO cells				Bioorg Med Chem Lett 24: 283-7 (2014) Article DOI: 10.1016/j.bmcl.2013.11.023 BindingDB Entry DOI: 10.7270/Q2ZC85VD
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50494951 (CHEMBL3099054) Show SMILES CC(C)(O)c1cc(ccc1Cl)-c1nc(NCCc2ccc(F)cc2)nc(OCF)n1 Show InChI InChI=1S/C21H21ClF2N4O2/c1-21(2,29)16-11-14(5-8-17(16)22)18-26-19(28-20(27-18)30-12-23)25-10-9-13-3-6-15(24)7-4-13/h3-8,11,29H,9-10,12H2,1-2H3,(H,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.780	n/a	n/a	n/a	n/a
Sanofi R&D Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO CRE-luc cells				Bioorg Med Chem Lett 24: 283-7 (2014) Article DOI: 10.1016/j.bmcl.2013.11.023 BindingDB Entry DOI: 10.7270/Q2ZC85VD
					More data for this Ligand-Target Pair