BDBM50233612 CHEMBL4102348::US10882838, Example 1.7

SMILES: [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCBr

InChI Key: InChIKey=KLFIJAPNCYROCE-IAGOWNOFSA-N

Data: 6 KI

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 6 hits for monomerid = 50233612   

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))	BDBM50233612 (CHEMBL4102348 | US10882838, Example 1.7) Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCBr |r,c:4| Show InChI InChI=1S/C23H31BrO4/c1-14-7-8-17-16(11-14)20-18(25)12-15(13-19(20)28-23(17,4)5)22(2,3)21(26)27-10-6-9-24/h7,12-13,16-17,25H,6,8-11H2,1-5H3/t16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NORTHEASTERN UNIVERSITY US Patent					Assay Description All the cannabinoids discussed in this invention are tested for their ability to bind to CB1 and CB2 receptors using membranes from rat brain or HEK2...				US Patent US10882838 (2021)
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50233612 (CHEMBL4102348 | US10882838, Example 1.7) Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCBr |r,c:4| Show InChI InChI=1S/C23H31BrO4/c1-14-7-8-17-16(11-14)20-18(25)12-15(13-19(20)28-23(17,4)5)22(2,3)21(26)27-10-6-9-24/h7,12-13,16-17,25H,6,8-11H2,1-5H3/t16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human CB2 receptor expressed in HEK293 cells by scintillation counting method				J Med Chem 58: 665-81 (2015) BindingDB Entry DOI: 10.7270/Q2K076HR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50233612 (CHEMBL4102348 | US10882838, Example 1.7) Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCBr |r,c:4| Show InChI InChI=1S/C23H31BrO4/c1-14-7-8-17-16(11-14)20-18(25)12-15(13-19(20)28-23(17,4)5)22(2,3)21(26)27-10-6-9-24/h7,12-13,16-17,25H,6,8-11H2,1-5H3/t16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes by scintillation counting method				J Med Chem 58: 665-81 (2015) BindingDB Entry DOI: 10.7270/Q2K076HR
					More data for this Ligand-Target Pair
Cannabinoid receptor (Rattus norvegicus (rat))	BDBM50233612 (CHEMBL4102348 | US10882838, Example 1.7) Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCBr |r,c:4| Show InChI InChI=1S/C23H31BrO4/c1-14-7-8-17-16(11-14)20-18(25)12-15(13-19(20)28-23(17,4)5)22(2,3)21(26)27-10-6-9-24/h7,12-13,16-17,25H,6,8-11H2,1-5H3/t16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NORTHEASTERN UNIVERSITY US Patent					Assay Description All the cannabinoids discussed in this invention are tested for their ability to bind to CB1 and CB2 receptors using membranes from rat brain or HEK2...				US Patent US10882838 (2021)
					More data for this Ligand-Target Pair
Cannabinoid receptor (MOUSE)	BDBM50233612 (CHEMBL4102348 | US10882838, Example 1.7) Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCBr |r,c:4| Show InChI InChI=1S/C23H31BrO4/c1-14-7-8-17-16(11-14)20-18(25)12-15(13-19(20)28-23(17,4)5)22(2,3)21(26)27-10-6-9-24/h7,12-13,16-17,25H,6,8-11H2,1-5H3/t16-,17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NORTHEASTERN UNIVERSITY US Patent					Assay Description All the cannabinoids discussed in this invention are tested for their ability to bind to CB1 and CB2 receptors using membranes from rat brain or HEK2...				US Patent US10882838 (2021)
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50233612 (CHEMBL4102348 | US10882838, Example 1.7) Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCBr |r,c:4| Show InChI InChI=1S/C23H31BrO4/c1-14-7-8-17-16(11-14)20-18(25)12-15(13-19(20)28-23(17,4)5)22(2,3)21(26)27-10-6-9-24/h7,12-13,16-17,25H,6,8-11H2,1-5H3/t16-,17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cells by scintillation counting method				J Med Chem 58: 665-81 (2015) BindingDB Entry DOI: 10.7270/Q2K076HR
					More data for this Ligand-Target Pair