BDBM50040948 CHEMBL3354399

SMILES: [O-][N+](=O)c1ccccc1CSc1nnc2c(n1)n(C(=O)c1ccccc1)c1ccccc21

InChI Key: InChIKey=XRNVPANNLDYYFO-UHFFFAOYSA-N

Data: 2 KI  1 EC50

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 3 hits for monomerid = 50040948   

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))	BDBM50040948 (CHEMBL3354399) Show SMILES [O-][N+](=O)c1ccccc1CSc1nnc2c(n1)n(C(=O)c1ccccc1)c1ccccc21 Show InChI InChI=1S/C23H15N5O3S/c29-22(15-8-2-1-3-9-15)27-19-13-7-5-11-17(19)20-21(27)24-23(26-25-20)32-14-16-10-4-6-12-18(16)28(30)31/h1-13H,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	235	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of [3H]WIN-55212-2 from human CB2R expressed in CHO cells				Bioorg Med Chem 23: 241-63 (2014) Article DOI: 10.1016/j.bmc.2014.11.002 BindingDB Entry DOI: 10.7270/Q2930VS3
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50040948 (CHEMBL3354399) Show SMILES [O-][N+](=O)c1ccccc1CSc1nnc2c(n1)n(C(=O)c1ccccc1)c1ccccc21 Show InChI InChI=1S/C23H15N5O3S/c29-22(15-8-2-1-3-9-15)27-19-13-7-5-11-17(19)20-21(27)24-23(26-25-20)32-14-16-10-4-6-12-18(16)28(30)31/h1-13H,14H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1R expressed in CHO cells				Bioorg Med Chem 23: 241-63 (2014) Article DOI: 10.1016/j.bmc.2014.11.002 BindingDB Entry DOI: 10.7270/Q2930VS3
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50040948 (CHEMBL3354399) Show SMILES [O-][N+](=O)c1ccccc1CSc1nnc2c(n1)n(C(=O)c1ccccc1)c1ccccc21 Show InChI InChI=1S/C23H15N5O3S/c29-22(15-8-2-1-3-9-15)27-19-13-7-5-11-17(19)20-21(27)24-23(26-25-20)32-14-16-10-4-6-12-18(16)28(30)31/h1-13H,14H2	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	n/a	n/a	75	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Agonist activity at human CB2R expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation by beta-galactosidase based comple...				Bioorg Med Chem 23: 241-63 (2014) Article DOI: 10.1016/j.bmc.2014.11.002 BindingDB Entry DOI: 10.7270/Q2930VS3
					More data for this Ligand-Target Pair