BDBM50230396 CHEMBL4089263

SMILES: N\C(=N\C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)c1ccccn1

InChI Key: InChIKey=URBDEESKRCZDQU-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 50230396   

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 1 (Mus musculus (Mouse))	BDBM50230396 (CHEMBL4089263) Show SMILES N\C(=N\C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)c1ccccn1 |c:19| Show InChI InChI=1S/C28H22Cl2N6O2S/c29-21-11-9-20(10-12-21)26-24(19-6-2-1-3-7-19)18-36(34-26)28(33-27(31)25-8-4-5-17-32-25)35-39(37,38)23-15-13-22(30)14-16-23/h1-17,24H,18H2,(H2,31,33,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Alcohol Abuse and Alcoholism Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from mouse brain CB1R expressed in CHOK1 cell membranes				J Med Chem 60: 1126-1141 (2017) BindingDB Entry DOI: 10.7270/Q2WW7KXF
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50230396 (CHEMBL4089263) Show SMILES N\C(=N\C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)c1ccccn1 |c:19| Show InChI InChI=1S/C28H22Cl2N6O2S/c29-21-11-9-20(10-12-21)26-24(19-6-2-1-3-7-19)18-36(34-26)28(33-27(31)25-8-4-5-17-32-25)35-39(37,38)23-15-13-22(30)14-16-23/h1-17,24H,18H2,(H2,31,33,35)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Alcohol Abuse and Alcoholism Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from mouse CB2R expressed in CHOK1 cell membranes				J Med Chem 60: 1126-1141 (2017) BindingDB Entry DOI: 10.7270/Q2WW7KXF
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50230396 (CHEMBL4089263) Show SMILES N\C(=N\C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)c1ccccn1 |c:19| Show InChI InChI=1S/C28H22Cl2N6O2S/c29-21-11-9-20(10-12-21)26-24(19-6-2-1-3-7-19)18-36(34-26)28(33-27(31)25-8-4-5-17-32-25)35-39(37,38)23-15-13-22(30)14-16-23/h1-17,24H,18H2,(H2,31,33,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Alcohol Abuse and Alcoholism Curated by ChEMBL					Assay Description Inverse agonist at mouse brain CB1R expressed in CHOK1 cell membranes assessed as inhibition of CP55940-stimulated [35S]GTP-gammaS binding measured a...				J Med Chem 60: 1126-1141 (2017) BindingDB Entry DOI: 10.7270/Q2WW7KXF
					More data for this Ligand-Target Pair