BDBM50230386 CHEMBL4059902

SMILES: N\C(=N\C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)c1ccc(F)cc1F

InChI Key: InChIKey=YLVRDNAZJJAWJA-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 = 50230386   

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))	BDBM50230386 (CHEMBL4059902) Show SMILES N\C(=N\C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)c1ccc(F)cc1F |c:19| Show InChI InChI=1S/C29H21Cl2F2N5O2S/c30-20-8-6-19(7-9-20)27-25(18-4-2-1-3-5-18)17-38(36-27)29(35-28(34)24-15-12-22(32)16-26(24)33)37-41(39,40)23-13-10-21(31)11-14-23/h1-16,25H,17H2,(H2,34,35,37)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.70	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)	BDBM50230386 (CHEMBL4059902) Show SMILES N\C(=N\C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)c1ccc(F)cc1F |c:19| Show InChI InChI=1S/C29H21Cl2F2N5O2S/c30-20-8-6-19(7-9-20)27-25(18-4-2-1-3-5-18)17-38(36-27)29(35-28(34)24-15-12-22(32)16-26(24)33)37-41(39,40)23-13-10-21(31)11-14-23/h1-16,25H,17H2,(H2,34,35,37)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	106	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))	BDBM50230386 (CHEMBL4059902) Show SMILES N\C(=N\C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)c1ccc(F)cc1F |c:19| Show InChI InChI=1S/C29H21Cl2F2N5O2S/c30-20-8-6-19(7-9-20)27-25(18-4-2-1-3-5-18)17-38(36-27)29(35-28(34)24-15-12-22(32)16-26(24)33)37-41(39,40)23-13-10-21(31)11-14-23/h1-16,25H,17H2,(H2,34,35,37)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	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