BDBM50169953 (6aR,10aR)-3-Adamantan-2-yl-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol::AM-744::CHEMBL371167

SMILES: CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1C2CC3CC(C2)CC1C3

InChI Key: InChIKey=MONBOUGJEZMTMC-UXODFTBXSA-N

Data: 4 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 4 hits for monomerid = 50169953   

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))	BDBM50169953 ((6aR,10aR)-3-Adamantan-2-yl-6,6,9-trimethyl-6a,7,1...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1C2CC3CC(C2)CC1C3 |r,wU:5.5,wD:4.3,t:1,TLB:11:18:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.27:18,25:23:20:27.26.18,25:26:20:24.22.23,(23.06,6.7,;23.06,5.15,;21.72,4.37,;21.72,2.82,;23.06,2.06,;24.39,2.82,;24.39,4.37,;25.72,2.06,;27.05,2.82,;27.06,4.36,;28.38,2.04,;28.37,.5,;27.03,-.26,;25.71,.52,;24.38,-.25,;23.05,.52,;21.55,.13,;22.64,-.97,;29.71,-.28,;29.72,-1.77,;28.51,-3.06,;30.02,-2.63,;31.43,-3.2,;32.45,-1.92,;31.05,-2.27,;32.47,-.38,;31.06,.2,;30.01,-1.04,)| Show InChI InChI=1S/C26H34O2/c1-14-4-5-21-20(6-14)25-22(27)12-19(13-23(25)28-26(21,2)3)24-17-8-15-7-16(10-17)11-18(24)9-15/h4,12-13,15-18,20-21,24,27H,5-11H2,1-3H3/t15?,16?,17?,18?,20-,21-,24?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor (unknown origin)				Bioorg Med Chem 17: 2598-606 (2009) Article DOI: 10.1016/j.bmc.2008.11.059 BindingDB Entry DOI: 10.7270/Q2DJ5FHV
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50169953 ((6aR,10aR)-3-Adamantan-2-yl-6,6,9-trimethyl-6a,7,1...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1C2CC3CC(C2)CC1C3 |r,wU:5.5,wD:4.3,t:1,TLB:11:18:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.27:18,25:23:20:27.26.18,25:26:20:24.22.23,(23.06,6.7,;23.06,5.15,;21.72,4.37,;21.72,2.82,;23.06,2.06,;24.39,2.82,;24.39,4.37,;25.72,2.06,;27.05,2.82,;27.06,4.36,;28.38,2.04,;28.37,.5,;27.03,-.26,;25.71,.52,;24.38,-.25,;23.05,.52,;21.55,.13,;22.64,-.97,;29.71,-.28,;29.72,-1.77,;28.51,-3.06,;30.02,-2.63,;31.43,-3.2,;32.45,-1.92,;31.05,-2.27,;32.47,-.38,;31.06,.2,;30.01,-1.04,)| Show InChI InChI=1S/C26H34O2/c1-14-4-5-21-20(6-14)25-22(27)12-19(13-23(25)28-26(21,2)3)24-17-8-15-7-16(10-17)11-18(24)9-15/h4,12-13,15-18,20-21,24,27H,5-11H2,1-3H3/t15?,16?,17?,18?,20-,21-,24?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of [3H]CP-55,940 binding to cannabinoid receptor 2 of mouse spleen membranes				J Med Chem 48: 4576-85 (2005) Article DOI: 10.1021/jm058175c BindingDB Entry DOI: 10.7270/Q20K283W
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50169953 ((6aR,10aR)-3-Adamantan-2-yl-6,6,9-trimethyl-6a,7,1...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1C2CC3CC(C2)CC1C3 |r,wU:5.5,wD:4.3,t:1,TLB:11:18:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.27:18,25:23:20:27.26.18,25:26:20:24.22.23,(23.06,6.7,;23.06,5.15,;21.72,4.37,;21.72,2.82,;23.06,2.06,;24.39,2.82,;24.39,4.37,;25.72,2.06,;27.05,2.82,;27.06,4.36,;28.38,2.04,;28.37,.5,;27.03,-.26,;25.71,.52,;24.38,-.25,;23.05,.52,;21.55,.13,;22.64,-.97,;29.71,-.28,;29.72,-1.77,;28.51,-3.06,;30.02,-2.63,;31.43,-3.2,;32.45,-1.92,;31.05,-2.27,;32.47,-.38,;31.06,.2,;30.01,-1.04,)| Show InChI InChI=1S/C26H34O2/c1-14-4-5-21-20(6-14)25-22(27)12-19(13-23(25)28-26(21,2)3)24-17-8-15-7-16(10-17)11-18(24)9-15/h4,12-13,15-18,20-21,24,27H,5-11H2,1-3H3/t15?,16?,17?,18?,20-,21-,24?/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	34.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Binding affinity to CB1 receptor (unknown origin)				Bioorg Med Chem 17: 2598-606 (2009) Article DOI: 10.1016/j.bmc.2008.11.059 BindingDB Entry DOI: 10.7270/Q2DJ5FHV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50169953 ((6aR,10aR)-3-Adamantan-2-yl-6,6,9-trimethyl-6a,7,1...) Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1C2CC3CC(C2)CC1C3 |r,wU:5.5,wD:4.3,t:1,TLB:11:18:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.27:18,25:23:20:27.26.18,25:26:20:24.22.23,(23.06,6.7,;23.06,5.15,;21.72,4.37,;21.72,2.82,;23.06,2.06,;24.39,2.82,;24.39,4.37,;25.72,2.06,;27.05,2.82,;27.06,4.36,;28.38,2.04,;28.37,.5,;27.03,-.26,;25.71,.52,;24.38,-.25,;23.05,.52,;21.55,.13,;22.64,-.97,;29.71,-.28,;29.72,-1.77,;28.51,-3.06,;30.02,-2.63,;31.43,-3.2,;32.45,-1.92,;31.05,-2.27,;32.47,-.38,;31.06,.2,;30.01,-1.04,)| Show InChI InChI=1S/C26H34O2/c1-14-4-5-21-20(6-14)25-22(27)12-19(13-23(25)28-26(21,2)3)24-17-8-15-7-16(10-17)11-18(24)9-15/h4,12-13,15-18,20-21,24,27H,5-11H2,1-3H3/t15?,16?,17?,18?,20-,21-,24?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of [3H]CP-55,940 binding to cannabinoid receptor 1 of rat brain				J Med Chem 48: 4576-85 (2005) Article DOI: 10.1021/jm058175c BindingDB Entry DOI: 10.7270/Q20K283W
					More data for this Ligand-Target Pair