BDBM50030076 CHEMBL3353433

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

InChI Key: InChIKey=YQUWHIAXYNZEAB-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 = 50030076   

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))	BDBM50030076 (CHEMBL3353433) Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(CCC(O)=O)c1=O |(38.26,1.98,;36.93,1.2,;36.93,-.34,;35.6,-1.12,;34.26,-.34,;34.25,1.19,;35.59,1.97,;32.93,-1.12,;31.6,-.36,;31.59,1.19,;30.27,-1.14,;28.93,-.38,;27.6,-1.15,;26.27,-.39,;24.94,-1.16,;24.94,-2.7,;26.27,-3.47,;27.61,-2.7,;28.94,-3.46,;28.94,-5,;30.28,-5.77,;30.28,-7.31,;28.95,-8.09,;31.62,-8.08,;30.28,-2.69,;31.61,-3.45,)| Show InChI InChI=1S/C19H23N3O4/c1-12-4-6-14(7-5-12)21-18(25)15-11-13-3-2-9-20-17(13)22(19(15)26)10-8-16(23)24/h2-3,9,11-12,14H,4-8,10H2,1H3,(H,21,25)(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.39E+3	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))	BDBM50030076 (CHEMBL3353433) Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(CCC(O)=O)c1=O |(38.26,1.98,;36.93,1.2,;36.93,-.34,;35.6,-1.12,;34.26,-.34,;34.25,1.19,;35.59,1.97,;32.93,-1.12,;31.6,-.36,;31.59,1.19,;30.27,-1.14,;28.93,-.38,;27.6,-1.15,;26.27,-.39,;24.94,-1.16,;24.94,-2.7,;26.27,-3.47,;27.61,-2.7,;28.94,-3.46,;28.94,-5,;30.28,-5.77,;30.28,-7.31,;28.95,-8.09,;31.62,-8.08,;30.28,-2.69,;31.61,-3.45,)| Show InChI InChI=1S/C19H23N3O4/c1-12-4-6-14(7-5-12)21-18(25)15-11-13-3-2-9-20-17(13)22(19(15)26)10-8-16(23)24/h2-3,9,11-12,14H,4-8,10H2,1H3,(H,21,25)(H,23,24)	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