BDBM50029970 CHEMBL3353426

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

InChI Key: InChIKey=MXKGVKJQVDAWMA-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 = 50029970   

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))	BDBM50029970 (CHEMBL3353426) Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(CCCO)c1=O |(9.73,-10.05,;8.4,-10.82,;8.4,-12.36,;7.08,-13.13,;5.73,-12.36,;5.73,-10.83,;7.06,-10.05,;4.41,-13.14,;3.07,-12.38,;3.06,-10.84,;1.74,-13.16,;.4,-12.4,;-.93,-13.17,;-2.27,-12.4,;-3.6,-13.18,;-3.6,-14.72,;-2.27,-15.49,;-.93,-14.71,;.41,-15.48,;.42,-17.02,;1.75,-17.79,;1.75,-19.33,;3.09,-20.09,;1.75,-14.7,;3.08,-15.47,)| Show InChI InChI=1S/C19H25N3O3/c1-13-5-7-15(8-6-13)21-18(24)16-12-14-4-2-9-20-17(14)22(19(16)25)10-3-11-23/h2,4,9,12-13,15,23H,3,5-8,10-11H2,1H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	129	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))	BDBM50029970 (CHEMBL3353426) Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(CCCO)c1=O |(9.73,-10.05,;8.4,-10.82,;8.4,-12.36,;7.08,-13.13,;5.73,-12.36,;5.73,-10.83,;7.06,-10.05,;4.41,-13.14,;3.07,-12.38,;3.06,-10.84,;1.74,-13.16,;.4,-12.4,;-.93,-13.17,;-2.27,-12.4,;-3.6,-13.18,;-3.6,-14.72,;-2.27,-15.49,;-.93,-14.71,;.41,-15.48,;.42,-17.02,;1.75,-17.79,;1.75,-19.33,;3.09,-20.09,;1.75,-14.7,;3.08,-15.47,)| Show InChI InChI=1S/C19H25N3O3/c1-13-5-7-15(8-6-13)21-18(24)16-12-14-4-2-9-20-17(14)22(19(16)25)10-3-11-23/h2,4,9,12-13,15,23H,3,5-8,10-11H2,1H3,(H,21,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	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