BDBM50030078 CHEMBL3353432

SMILES: COC(=O)CCCCn1c2ncccc2cc(C(=O)NC2CCC(C)CC2)c1=O

InChI Key: InChIKey=BIVRSHYFJKMMJA-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 = 50030078   

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))	BDBM50030078 (CHEMBL3353432) Show SMILES COC(=O)CCCCn1c2ncccc2cc(C(=O)NC2CCC(C)CC2)c1=O |(20.77,-12.69,;20.77,-11.15,;19.43,-10.38,;18.1,-11.15,;19.43,-8.84,;18.09,-8.07,;18.09,-6.53,;16.76,-5.76,;16.75,-4.22,;15.42,-3.46,;14.08,-4.24,;12.75,-3.47,;12.75,-1.92,;14.08,-1.15,;15.42,-1.91,;16.74,-1.14,;18.08,-1.9,;19.41,-1.12,;19.4,.42,;20.75,-1.89,;22.08,-1.11,;23.42,-1.88,;24.74,-1.11,;24.74,.44,;26.07,1.22,;23.4,1.21,;22.07,.43,;18.09,-3.45,;19.42,-4.22,)| Show InChI InChI=1S/C22H29N3O4/c1-15-8-10-17(11-9-15)24-21(27)18-14-16-6-5-12-23-20(16)25(22(18)28)13-4-3-7-19(26)29-2/h5-6,12,14-15,17H,3-4,7-11,13H2,1-2H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	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))	BDBM50030078 (CHEMBL3353432) Show SMILES COC(=O)CCCCn1c2ncccc2cc(C(=O)NC2CCC(C)CC2)c1=O |(20.77,-12.69,;20.77,-11.15,;19.43,-10.38,;18.1,-11.15,;19.43,-8.84,;18.09,-8.07,;18.09,-6.53,;16.76,-5.76,;16.75,-4.22,;15.42,-3.46,;14.08,-4.24,;12.75,-3.47,;12.75,-1.92,;14.08,-1.15,;15.42,-1.91,;16.74,-1.14,;18.08,-1.9,;19.41,-1.12,;19.4,.42,;20.75,-1.89,;22.08,-1.11,;23.42,-1.88,;24.74,-1.11,;24.74,.44,;26.07,1.22,;23.4,1.21,;22.07,.43,;18.09,-3.45,;19.42,-4.22,)| Show InChI InChI=1S/C22H29N3O4/c1-15-8-10-17(11-9-15)24-21(27)18-14-16-6-5-12-23-20(16)25(22(18)28)13-4-3-7-19(26)29-2/h5-6,12,14-15,17H,3-4,7-11,13H2,1-2H3,(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