BDBM50230404 CHEMBL4081820

SMILES: N\C(=N\C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)c1cccc(Br)c1

InChI Key: InChIKey=QUCYFNBWYXSWAL-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 = 50230404   

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))	BDBM50230404 (CHEMBL4081820) Show SMILES N\C(=N\C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)c1cccc(Br)c1 |c:19| Show InChI InChI=1S/C29H22BrCl2N5O2S/c30-22-8-4-7-21(17-22)28(33)34-29(36-40(38,39)25-15-13-24(32)14-16-25)37-18-26(19-5-2-1-3-6-19)27(35-37)20-9-11-23(31)12-10-20/h1-17,26H,18H2,(H2,33,34,36)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	56	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)	BDBM50230404 (CHEMBL4081820) Show SMILES N\C(=N\C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)c1cccc(Br)c1 |c:19| Show InChI InChI=1S/C29H22BrCl2N5O2S/c30-22-8-4-7-21(17-22)28(33)34-29(36-40(38,39)25-15-13-24(32)14-16-25)37-18-26(19-5-2-1-3-6-19)27(35-37)20-9-11-23(31)12-10-20/h1-17,26H,18H2,(H2,33,34,36)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	250	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))	BDBM50230404 (CHEMBL4081820) Show SMILES N\C(=N\C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)c1cccc(Br)c1 |c:19| Show InChI InChI=1S/C29H22BrCl2N5O2S/c30-22-8-4-7-21(17-22)28(33)34-29(36-40(38,39)25-15-13-24(32)14-16-25)37-18-26(19-5-2-1-3-6-19)27(35-37)20-9-11-23(31)12-10-20/h1-17,26H,18H2,(H2,33,34,36)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	292	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