BDBM50030082 CHEMBL3353431

SMILES: CCOC(=O)CCCn1c2ncccc2cc(C(=O)NC2CCC(C)CC2)c1=O

InChI Key: InChIKey=QQLHCVLMFUXEJC-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 = 50030082   

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))	BDBM50030082 (CHEMBL3353431) Show SMILES CCOC(=O)CCCn1c2ncccc2cc(C(=O)NC2CCC(C)CC2)c1=O |(3.76,-12.69,;3.76,-11.15,;5.09,-10.38,;5.09,-8.84,;6.42,-8.07,;3.75,-8.07,;3.75,-6.53,;2.41,-5.76,;2.41,-4.22,;1.08,-3.46,;-.27,-4.24,;-1.6,-3.47,;-1.6,-1.92,;-.27,-1.15,;1.07,-1.91,;2.4,-1.14,;3.74,-1.9,;5.07,-1.12,;5.06,.42,;6.4,-1.89,;7.73,-1.11,;9.08,-1.88,;10.4,-1.11,;10.4,.44,;11.73,1.22,;9.06,1.21,;7.72,.43,;3.75,-3.45,;5.08,-4.22,)| Show InChI InChI=1S/C22H29N3O4/c1-3-29-19(26)7-5-13-25-20-16(6-4-12-23-20)14-18(22(25)28)21(27)24-17-10-8-15(2)9-11-17/h4,6,12,14-15,17H,3,5,7-11,13H2,1-2H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	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))	BDBM50030082 (CHEMBL3353431) Show SMILES CCOC(=O)CCCn1c2ncccc2cc(C(=O)NC2CCC(C)CC2)c1=O |(3.76,-12.69,;3.76,-11.15,;5.09,-10.38,;5.09,-8.84,;6.42,-8.07,;3.75,-8.07,;3.75,-6.53,;2.41,-5.76,;2.41,-4.22,;1.08,-3.46,;-.27,-4.24,;-1.6,-3.47,;-1.6,-1.92,;-.27,-1.15,;1.07,-1.91,;2.4,-1.14,;3.74,-1.9,;5.07,-1.12,;5.06,.42,;6.4,-1.89,;7.73,-1.11,;9.08,-1.88,;10.4,-1.11,;10.4,.44,;11.73,1.22,;9.06,1.21,;7.72,.43,;3.75,-3.45,;5.08,-4.22,)| Show InChI InChI=1S/C22H29N3O4/c1-3-29-19(26)7-5-13-25-20-16(6-4-12-23-20)14-18(22(25)28)21(27)24-17-10-8-15(2)9-11-17/h4,6,12,14-15,17H,3,5,7-11,13H2,1-2H3,(H,24,27)	PDB NCI pathway 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
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