BDBM50244253 CHEMBL4074747

SMILES: CCN(CC)C(=O)c1ccc2n(CCN3CCCCC3)c(Nc3ccc(Oc4ccccc4)cc3)nc2c1

InChI Key: InChIKey=QPWJQTNNGLQOSP-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 = 50244253   

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))	BDBM50244253 (CHEMBL4074747) Show SMILES CCN(CC)C(=O)c1ccc2n(CCN3CCCCC3)c(Nc3ccc(Oc4ccccc4)cc3)nc2c1 Show InChI InChI=1S/C31H37N5O2/c1-3-35(4-2)30(37)24-13-18-29-28(23-24)33-31(36(29)22-21-34-19-9-6-10-20-34)32-25-14-16-27(17-15-25)38-26-11-7-5-8-12-26/h5,7-8,11-18,23H,3-4,6,9-10,19-22H2,1-2H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius Maximilian University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-CP55950 from human CB2 receptor expressed in HEK cell membranes after 3 hrs by scintillation counting method				J Med Chem 61: 1646-1663 (2018) Article DOI: 10.1021/acs.jmedchem.7b01760 BindingDB Entry DOI: 10.7270/Q2RJ4MWK
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50244253 (CHEMBL4074747) Show SMILES CCN(CC)C(=O)c1ccc2n(CCN3CCCCC3)c(Nc3ccc(Oc4ccccc4)cc3)nc2c1 Show InChI InChI=1S/C31H37N5O2/c1-3-35(4-2)30(37)24-13-18-29-28(23-24)33-31(36(29)22-21-34-19-9-6-10-20-34)32-25-14-16-27(17-15-25)38-26-11-7-5-8-12-26/h5,7-8,11-18,23H,3-4,6,9-10,19-22H2,1-2H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Julius Maximilian University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-CP55950 from human CB2 receptor expressed in HEK cell membranes after 3 hrs by scintillation counting method				J Med Chem 61: 1646-1663 (2018) Article DOI: 10.1021/acs.jmedchem.7b01760 BindingDB Entry DOI: 10.7270/Q2RJ4MWK
					More data for this Ligand-Target Pair