BDBM50042912 CHEMBL3354553

SMILES: CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCS(=O)(=O)CC2)no1

InChI Key: InChIKey=VBVSLBXYPFYZIR-ZDUSSCGKSA-N

Data: 4 IC50  4 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 8 hits for monomerid = 50042912   

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))	BDBM50042912 (CHEMBL3354553) Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCS(=O)(=O)CC2)no1 |r| Show InChI InChI=1S/C18H28N4O5S/c1-18(2,3)14-12-15(20-27-14)19-16(23)13-6-4-5-7-22(13)17(24)21-8-10-28(25,26)11-9-21/h12-13H,4-11H2,1-3H3,(H,19,20,23)/t13-/m0/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	11	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...				Bioorg Med Chem Lett 25: 587-92 (2015) Article DOI: 10.1016/j.bmcl.2014.12.031 BindingDB Entry DOI: 10.7270/Q2QZ2CM5
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50042912 (CHEMBL3354553) Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCS(=O)(=O)CC2)no1 |r| Show InChI InChI=1S/C18H28N4O5S/c1-18(2,3)14-12-15(20-27-14)19-16(23)13-6-4-5-7-22(13)17(24)21-8-10-28(25,26)11-9-21/h12-13H,4-11H2,1-3H3,(H,19,20,23)/t13-/m0/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	>2.00E+4	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...				Bioorg Med Chem Lett 25: 587-92 (2015) Article DOI: 10.1016/j.bmcl.2014.12.031 BindingDB Entry DOI: 10.7270/Q2QZ2CM5
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50042912 (CHEMBL3354553) Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCS(=O)(=O)CC2)no1 |r| Show InChI InChI=1S/C18H28N4O5S/c1-18(2,3)14-12-15(20-27-14)19-16(23)13-6-4-5-7-22(13)17(24)21-8-10-28(25,26)11-9-21/h12-13H,4-11H2,1-3H3,(H,19,20,23)/t13-/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at rat CB2 receptor assessed as inhibition of forskolin-induced cAMP accumulation				Bioorg Med Chem Lett 25: 587-92 (2015) Article DOI: 10.1016/j.bmcl.2014.12.031 BindingDB Entry DOI: 10.7270/Q2QZ2CM5
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50042912 (CHEMBL3354553) Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCS(=O)(=O)CC2)no1 |r| Show InChI InChI=1S/C18H28N4O5S/c1-18(2,3)14-12-15(20-27-14)19-16(23)13-6-4-5-7-22(13)17(24)21-8-10-28(25,26)11-9-21/h12-13H,4-11H2,1-3H3,(H,19,20,23)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human CYP2C19				Bioorg Med Chem Lett 25: 587-92 (2015) Article DOI: 10.1016/j.bmcl.2014.12.031 BindingDB Entry DOI: 10.7270/Q2QZ2CM5
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50042912 (CHEMBL3354553) Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCS(=O)(=O)CC2)no1 |r| Show InChI InChI=1S/C18H28N4O5S/c1-18(2,3)14-12-15(20-27-14)19-16(23)13-6-4-5-7-22(13)17(24)21-8-10-28(25,26)11-9-21/h12-13H,4-11H2,1-3H3,(H,19,20,23)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem Lett 25: 587-92 (2015) Article DOI: 10.1016/j.bmcl.2014.12.031 BindingDB Entry DOI: 10.7270/Q2QZ2CM5
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50042912 (CHEMBL3354553) Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCS(=O)(=O)CC2)no1 |r| Show InChI InChI=1S/C18H28N4O5S/c1-18(2,3)14-12-15(20-27-14)19-16(23)13-6-4-5-7-22(13)17(24)21-8-10-28(25,26)11-9-21/h12-13H,4-11H2,1-3H3,(H,19,20,23)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				Bioorg Med Chem Lett 25: 587-92 (2015) Article DOI: 10.1016/j.bmcl.2014.12.031 BindingDB Entry DOI: 10.7270/Q2QZ2CM5
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50042912 (CHEMBL3354553) Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCS(=O)(=O)CC2)no1 |r| Show InChI InChI=1S/C18H28N4O5S/c1-18(2,3)14-12-15(20-27-14)19-16(23)13-6-4-5-7-22(13)17(24)21-8-10-28(25,26)11-9-21/h12-13H,4-11H2,1-3H3,(H,19,20,23)/t13-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				Bioorg Med Chem Lett 25: 587-92 (2015) Article DOI: 10.1016/j.bmcl.2014.12.031 BindingDB Entry DOI: 10.7270/Q2QZ2CM5
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50042912 (CHEMBL3354553) Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCS(=O)(=O)CC2)no1 |r| Show InChI InChI=1S/C18H28N4O5S/c1-18(2,3)14-12-15(20-27-14)19-16(23)13-6-4-5-7-22(13)17(24)21-8-10-28(25,26)11-9-21/h12-13H,4-11H2,1-3H3,(H,19,20,23)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at rat CB1 receptor assessed as inhibition of forskolin-induced cAMP accumulation				Bioorg Med Chem Lett 25: 587-92 (2015) Article DOI: 10.1016/j.bmcl.2014.12.031 BindingDB Entry DOI: 10.7270/Q2QZ2CM5
					More data for this Ligand-Target Pair