BDBM50418228 CHEMBL1760645

SMILES: CC(C)(CO)CNC(=O)c1cc2cc(ccc2n1Cc1cccc(OC(F)(F)F)c1)C#N

InChI Key: InChIKey=YSVLXDHZTYHVCF-UHFFFAOYSA-N

Data: 2 KI  1 IC50

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 = 50418228   

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))	BDBM50418228 (CHEMBL1760645) Show SMILES CC(C)(CO)CNC(=O)c1cc2cc(ccc2n1Cc1cccc(OC(F)(F)F)c1)C#N Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,14-30)13-28-21(31)20-10-17-8-15(11-27)6-7-19(17)29(20)12-16-4-3-5-18(9-16)32-23(24,25)26/h3-10,30H,12-14H2,1-2H3,(H,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 21: 2034-9 (2011) Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50418228 (CHEMBL1760645) Show SMILES CC(C)(CO)CNC(=O)c1cc2cc(ccc2n1Cc1cccc(OC(F)(F)F)c1)C#N Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,14-30)13-28-21(31)20-10-17-8-15(11-27)6-7-19(17)29(20)12-16-4-3-5-18(9-16)32-23(24,25)26/h3-10,30H,12-14H2,1-2H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in Sf9 cells				Bioorg Med Chem Lett 21: 2034-9 (2011) Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50418228 (CHEMBL1760645) Show SMILES CC(C)(CO)CNC(=O)c1cc2cc(ccc2n1Cc1cccc(OC(F)(F)F)c1)C#N Show InChI InChI=1S/C23H22F3N3O3/c1-22(2,14-30)13-28-21(31)20-10-17-8-15(11-27)6-7-19(17)29(20)12-16-4-3-5-18(9-16)32-23(24,25)26/h3-10,30H,12-14H2,1-2H3,(H,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.82	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Antagonist activity against human CB1 receptor				Bioorg Med Chem Lett 21: 2034-9 (2011) Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM
					More data for this Ligand-Target Pair