BDBM50029989 CHEMBL3353437

SMILES: CC1CCC(CC1)NC(=O)c1cc2cccnc2n(CCCCCF)c1=O

InChI Key: InChIKey=WITSMXUOQNQBLT-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50029989   

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 2 (Homo sapiens (Human))	BDBM50029989 (CHEMBL3353437) Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(CCCCCF)c1=O |(30.62,1.62,;29.29,.84,;29.29,-.7,;27.97,-1.47,;26.63,-.7,;26.62,.83,;27.95,1.62,;25.3,-1.48,;23.96,-.72,;23.95,.83,;22.63,-1.5,;21.29,-.74,;19.97,-1.51,;18.63,-.75,;17.3,-1.52,;17.3,-3.06,;18.63,-3.83,;19.97,-3.05,;21.3,-3.82,;21.31,-5.36,;22.64,-6.13,;22.65,-7.67,;23.98,-8.43,;23.98,-9.97,;22.65,-10.75,;22.64,-3.05,;23.97,-3.81,)| Show InChI InChI=1S/C21H28FN3O2/c1-15-7-9-17(10-8-15)24-20(26)18-14-16-6-5-12-23-19(16)25(21(18)27)13-4-2-3-11-22/h5-6,12,14-15,17H,2-4,7-11,13H2,1H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...				J Med Chem 57: 8777-91 (2014) Article DOI: 10.1021/jm500807e BindingDB Entry DOI: 10.7270/Q2QC054S
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50029989 (CHEMBL3353437) Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(CCCCCF)c1=O |(30.62,1.62,;29.29,.84,;29.29,-.7,;27.97,-1.47,;26.63,-.7,;26.62,.83,;27.95,1.62,;25.3,-1.48,;23.96,-.72,;23.95,.83,;22.63,-1.5,;21.29,-.74,;19.97,-1.51,;18.63,-.75,;17.3,-1.52,;17.3,-3.06,;18.63,-3.83,;19.97,-3.05,;21.3,-3.82,;21.31,-5.36,;22.64,-6.13,;22.65,-7.67,;23.98,-8.43,;23.98,-9.97,;22.65,-10.75,;22.64,-3.05,;23.97,-3.81,)| Show InChI InChI=1S/C21H28FN3O2/c1-15-7-9-17(10-8-15)24-20(26)18-14-16-6-5-12-23-19(16)25(21(18)27)13-4-2-3-11-22/h5-6,12,14-15,17H,2-4,7-11,13H2,1H3,(H,24,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...				J Med Chem 57: 8777-91 (2014) Article DOI: 10.1021/jm500807e BindingDB Entry DOI: 10.7270/Q2QC054S
					More data for this Ligand-Target Pair