BDBM50030093 CHEMBL3353429

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

InChI Key: InChIKey=NGDWQTRAACONLI-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 = 50030093   

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))	BDBM50030093 (CHEMBL3353429) Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(CCCCCCO)c1=O |(10.21,-20.68,;8.88,-21.45,;8.88,-22.99,;7.56,-23.76,;6.22,-22.99,;6.21,-21.46,;7.54,-20.69,;4.89,-23.77,;3.55,-23.01,;3.54,-21.47,;2.22,-23.79,;.88,-23.03,;-.44,-23.8,;-1.78,-23.04,;-3.12,-23.81,;-3.11,-25.35,;-1.79,-26.12,;-.45,-25.34,;.89,-26.11,;.9,-27.65,;2.23,-28.42,;3.57,-27.64,;4.9,-28.41,;6.23,-27.64,;7.57,-28.41,;8.9,-27.63,;2.23,-25.34,;3.57,-26.1,)| Show InChI InChI=1S/C22H31N3O3/c1-16-8-10-18(11-9-16)24-21(27)19-15-17-7-6-12-23-20(17)25(22(19)28)13-4-2-3-5-14-26/h6-7,12,15-16,18,26H,2-5,8-11,13-14H2,1H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	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))	BDBM50030093 (CHEMBL3353429) Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(CCCCCCO)c1=O |(10.21,-20.68,;8.88,-21.45,;8.88,-22.99,;7.56,-23.76,;6.22,-22.99,;6.21,-21.46,;7.54,-20.69,;4.89,-23.77,;3.55,-23.01,;3.54,-21.47,;2.22,-23.79,;.88,-23.03,;-.44,-23.8,;-1.78,-23.04,;-3.12,-23.81,;-3.11,-25.35,;-1.79,-26.12,;-.45,-25.34,;.89,-26.11,;.9,-27.65,;2.23,-28.42,;3.57,-27.64,;4.9,-28.41,;6.23,-27.64,;7.57,-28.41,;8.9,-27.63,;2.23,-25.34,;3.57,-26.1,)| Show InChI InChI=1S/C22H31N3O3/c1-16-8-10-18(11-9-16)24-21(27)19-15-17-7-6-12-23-20(17)25(22(19)28)13-4-2-3-5-14-26/h6-7,12,15-16,18,26H,2-5,8-11,13-14H2,1H3,(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