BDBM50198693 CHEMBL3913457

SMILES: C[C@@H](NC(=O)c1nn(c2c1CCC\C2=C/c1ccc(Cl)s1)-c1ccc(cc1Cl)C(F)(F)F)c1ccccn1

InChI Key: InChIKey=BEJMVKMGIMTOQH-WTNDLDAUSA-N

Data: 2 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 2 hits for monomerid = 50198693   

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))	BDBM50198693 (CHEMBL3913457) Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCC\C2=C/c1ccc(Cl)s1)-c1ccc(cc1Cl)C(F)(F)F)c1ccccn1 |r| Show InChI InChI=1S/C27H21Cl2F3N4OS/c1-15(21-7-2-3-12-33-21)34-26(37)24-19-6-4-5-16(13-18-9-11-23(29)38-18)25(19)36(35-24)22-10-8-17(14-20(22)28)27(30,31)32/h2-3,7-15H,4-6H2,1H3,(H,34,37)/b16-13+/t15-/m1/s1	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	>1.00E+4	n/a	n/a	n/a	n/a
Janssen Research& Development, L.L.C. Curated by ChEMBL					Assay Description Inverse agonist activity at human cannabinoid receptor 2 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...				Bioorg Med Chem Lett 26: 5346-5349 (2016) Article DOI: 10.1016/j.bmcl.2016.09.025 BindingDB Entry DOI: 10.7270/Q2MC9207
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50198693 (CHEMBL3913457) Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCC\C2=C/c1ccc(Cl)s1)-c1ccc(cc1Cl)C(F)(F)F)c1ccccn1 |r| Show InChI InChI=1S/C27H21Cl2F3N4OS/c1-15(21-7-2-3-12-33-21)34-26(37)24-19-6-4-5-16(13-18-9-11-23(29)38-18)25(19)36(35-24)22-10-8-17(14-20(22)28)27(30,31)32/h2-3,7-15H,4-6H2,1H3,(H,34,37)/b16-13+/t15-/m1/s1	PDB NCI pathway 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	18	n/a	n/a	n/a	n/a
Janssen Research& Development, L.L.C. Curated by ChEMBL					Assay Description Inverse agonist activity at human cannabinoid receptor 1 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...				Bioorg Med Chem Lett 26: 5346-5349 (2016) Article DOI: 10.1016/j.bmcl.2016.09.025 BindingDB Entry DOI: 10.7270/Q2MC9207
					More data for this Ligand-Target Pair