BDBM50395137 CHEMBL2163929

SMILES: O=C(NC12CC3CC(CC(C3)C1)C2)c1cn2[C@H](Cc3ccccc3)COc3cccc(c23)c1=O

InChI Key: InChIKey=XKPYPFGENRUJRY-KNMWRUGTSA-N

Data: 4 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 5 hits for monomerid = 50395137   

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))	BDBM50395137 (CHEMBL2163929) Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cn2[C@H](Cc3ccccc3)COc3cccc(c23)c1=O |r,THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9| Show InChI InChI=1S/C29H30N2O3/c32-27-23-7-4-8-25-26(23)31(22(17-34-25)12-18-5-2-1-3-6-18)16-24(27)28(33)30-29-13-19-9-20(14-29)11-21(10-19)15-29/h1-8,16,19-22H,9-15,17H2,(H,30,33)/t19?,20?,21?,22-,29?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cell membranes incubated for 60 mins by scintillation counting				J Med Chem 55: 6608-23 (2012) Article DOI: 10.1021/jm300763w BindingDB Entry DOI: 10.7270/Q2WS8VCX
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50395137 (CHEMBL2163929) Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cn2[C@H](Cc3ccccc3)COc3cccc(c23)c1=O |r,THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9| Show InChI InChI=1S/C29H30N2O3/c32-27-23-7-4-8-25-26(23)31(22(17-34-25)12-18-5-2-1-3-6-18)16-24(27)28(33)30-29-13-19-9-20(14-29)11-21(10-19)15-29/h1-8,16,19-22H,9-15,17H2,(H,30,33)/t19?,20?,21?,22-,29?/m1/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CB2 receptor in Sprague-Dawley rat spleen by scintillation counting				J Med Chem 55: 6608-23 (2012) Article DOI: 10.1021/jm300763w BindingDB Entry DOI: 10.7270/Q2WS8VCX
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50395137 (CHEMBL2163929) Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cn2[C@H](Cc3ccccc3)COc3cccc(c23)c1=O |r,THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9| Show InChI InChI=1S/C29H30N2O3/c32-27-23-7-4-8-25-26(23)31(22(17-34-25)12-18-5-2-1-3-6-18)16-24(27)28(33)30-29-13-19-9-20(14-29)11-21(10-19)15-29/h1-8,16,19-22H,9-15,17H2,(H,30,33)/t19?,20?,21?,22-,29?/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	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cell membranes incubated for 90 mins by scintillation counting				J Med Chem 55: 6608-23 (2012) Article DOI: 10.1021/jm300763w BindingDB Entry DOI: 10.7270/Q2WS8VCX
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50395137 (CHEMBL2163929) Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cn2[C@H](Cc3ccccc3)COc3cccc(c23)c1=O |r,THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9| Show InChI InChI=1S/C29H30N2O3/c32-27-23-7-4-8-25-26(23)31(22(17-34-25)12-18-5-2-1-3-6-18)16-24(27)28(33)30-29-13-19-9-20(14-29)11-21(10-19)15-29/h1-8,16,19-22H,9-15,17H2,(H,30,33)/t19?,20?,21?,22-,29?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	121	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain by scintillation counting				J Med Chem 55: 6608-23 (2012) Article DOI: 10.1021/jm300763w BindingDB Entry DOI: 10.7270/Q2WS8VCX
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50395137 (CHEMBL2163929) Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cn2[C@H](Cc3ccccc3)COc3cccc(c23)c1=O |r,THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9| Show InChI InChI=1S/C29H30N2O3/c32-27-23-7-4-8-25-26(23)31(22(17-34-25)12-18-5-2-1-3-6-18)16-24(27)28(33)30-29-13-19-9-20(14-29)11-21(10-19)15-29/h1-8,16,19-22H,9-15,17H2,(H,30,33)/t19?,20?,21?,22-,29?/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	17.5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Agonist activity at human recombinant CB2 receptor expressed in CHO cell membranes assessed as inhibition of forskolin-induced cAMP accumulation				J Med Chem 55: 6608-23 (2012) Article DOI: 10.1021/jm300763w BindingDB Entry DOI: 10.7270/Q2WS8VCX
					More data for this Ligand-Target Pair