BDBM50179980 1-((6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-3-yl)-cyclopentanecarbonitrile::1-((6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-3-yl)cyclopentanecarbonitrile::CHEMBL206859

SMILES: CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1(CCCC1)C#N

InChI Key: InChIKey=BLDAGALCKFMKQM-IAGOWNOFSA-N

Data: 5 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 5 hits for monomerid = 50179980   

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))	BDBM50179980 (1-((6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1(CCCC1)C#N |t:1| Show InChI InChI=1S/C22H27NO2/c1-14-6-7-17-16(10-14)20-18(24)11-15(12-19(20)25-21(17,2)3)22(13-23)8-4-5-9-22/h6,11-12,16-17,24H,4-5,7-10H2,1-3H3/t16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor				J Med Chem 50: 2875-85 (2007) Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50179980 (1-((6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1(CCCC1)C#N |t:1| Show InChI InChI=1S/C22H27NO2/c1-14-6-7-17-16(10-14)20-18(24)11-15(12-19(20)25-21(17,2)3)22(13-23)8-4-5-9-22/h6,11-12,16-17,24H,4-5,7-10H2,1-3H3/t16-,17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Hellenic Research Foundation Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from mouse spleen CB2 receptor				Bioorg Med Chem Lett 16: 1616-20 (2006) Article DOI: 10.1016/j.bmcl.2005.12.026 BindingDB Entry DOI: 10.7270/Q2833RMF
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50179980 (1-((6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1(CCCC1)C#N |t:1| Show InChI InChI=1S/C22H27NO2/c1-14-6-7-17-16(10-14)20-18(24)11-15(12-19(20)25-21(17,2)3)22(13-23)8-4-5-9-22/h6,11-12,16-17,24H,4-5,7-10H2,1-3H3/t16-,17-/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	27.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity to CB1 receptor				J Med Chem 50: 2875-85 (2007) Article DOI: 10.1021/jm0610705 BindingDB Entry DOI: 10.7270/Q2ST7PJ4
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50179980 (1-((6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1(CCCC1)C#N |t:1| Show InChI InChI=1S/C22H27NO2/c1-14-6-7-17-16(10-14)20-18(24)11-15(12-19(20)25-21(17,2)3)22(13-23)8-4-5-9-22/h6,11-12,16-17,24H,4-5,7-10H2,1-3H3/t16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Hellenic Research Foundation Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from rat brain CB1 receptor				Bioorg Med Chem Lett 16: 1616-20 (2006) Article DOI: 10.1016/j.bmcl.2005.12.026 BindingDB Entry DOI: 10.7270/Q2833RMF
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50179980 (1-((6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1(CCCC1)C#N |t:1| Show InChI InChI=1S/C22H27NO2/c1-14-6-7-17-16(10-14)20-18(24)11-15(12-19(20)25-21(17,2)3)22(13-23)8-4-5-9-22/h6,11-12,16-17,24H,4-5,7-10H2,1-3H3/t16-,17-/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	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The National Hellenic Research Foundation Curated by ChEMBL					Assay Description Binding affinity at CB1 receptor				Bioorg Med Chem Lett 17: 6754-63 (2007) Article DOI: 10.1016/j.bmcl.2007.10.044 BindingDB Entry DOI: 10.7270/Q2QV3Q9M
					More data for this Ligand-Target Pair