BDBM50377710 CHEMBL256753

SMILES: CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NC(=O)c1ccc(Br)c(c1)S(=O)(=O)N1CCCC1

InChI Key: InChIKey=DARUPYPUJIPCQB-NYSBEXSLSA-N

Data: 2 KI  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 4 hits for monomerid = 50377710   

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))	BDBM50377710 (CHEMBL256753) Show SMILES CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NC(=O)c1ccc(Br)c(c1)S(=O)(=O)N1CCCC1 |THB:10:9:4.5:8| Show InChI InChI=1S/C21H29BrN2O3S/c1-20(2)15-8-9-21(3,13-15)19(20)23-18(25)14-6-7-16(22)17(12-14)28(26,27)24-10-4-5-11-24/h6-7,12,15,19H,4-5,8-11,13H2,1-3H3,(H,23,25)/t15-,19+,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human cloned CB2 receptor				Bioorg Med Chem Lett 18: 2830-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.006 BindingDB Entry DOI: 10.7270/Q2P2701M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50377710 (CHEMBL256753) Show SMILES CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NC(=O)c1ccc(Br)c(c1)S(=O)(=O)N1CCCC1 |THB:10:9:4.5:8| Show InChI InChI=1S/C21H29BrN2O3S/c1-20(2)15-8-9-21(3,13-15)19(20)23-18(25)14-6-7-16(22)17(12-14)28(26,27)24-10-4-5-11-24/h6-7,12,15,19H,4-5,8-11,13H2,1-3H3,(H,23,25)/t15-,19+,21+/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	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human cloned CB1 receptor				Bioorg Med Chem Lett 18: 2830-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.006 BindingDB Entry DOI: 10.7270/Q2P2701M
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50377710 (CHEMBL256753) Show SMILES CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NC(=O)c1ccc(Br)c(c1)S(=O)(=O)N1CCCC1 |THB:10:9:4.5:8| Show InChI InChI=1S/C21H29BrN2O3S/c1-20(2)15-8-9-21(3,13-15)19(20)23-18(25)14-6-7-16(22)17(12-14)28(26,27)24-10-4-5-11-24/h6-7,12,15,19H,4-5,8-11,13H2,1-3H3,(H,23,25)/t15-,19+,21+/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	220	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonist activity at human cloned CB1 receptor by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 18: 2830-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.006 BindingDB Entry DOI: 10.7270/Q2P2701M
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50377710 (CHEMBL256753) Show SMILES CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NC(=O)c1ccc(Br)c(c1)S(=O)(=O)N1CCCC1 |THB:10:9:4.5:8| Show InChI InChI=1S/C21H29BrN2O3S/c1-20(2)15-8-9-21(3,13-15)19(20)23-18(25)14-6-7-16(22)17(12-14)28(26,27)24-10-4-5-11-24/h6-7,12,15,19H,4-5,8-11,13H2,1-3H3,(H,23,25)/t15-,19+,21+/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	4.30	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonist activity at human cloned CB2 receptor by [35S]GTP-gamma-S binding assay				Bioorg Med Chem Lett 18: 2830-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.006 BindingDB Entry DOI: 10.7270/Q2P2701M
					More data for this Ligand-Target Pair