BDBM113767 (E)-6-((1R,2R)-3,3-Dimethyl-2-(3-methylbut-3-enyl)cyclobutyl)-N-(4-hydroxy-3-methoxybenzyl)hepta-2,6-dienamide (11e)

SMILES: COc1cc(CNC(=O)\C=C\CCC(=C)[C@@H]2CC(C)(C)[C@@H]2CCC(C)=C)ccc1O

InChI Key: InChIKey=DZGJGFLRZPMFPG-PCBIHFGQSA-N

Data: 2 KI  3 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 = 113767   

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))	BDBM113767 ((E)-6-((1R,2R)-3,3-Dimethyl-2-(3-methylbut-3-enyl)...) Show SMILES COc1cc(CNC(=O)\C=C\CCC(=C)[C@@H]2CC(C)(C)[C@@H]2CCC(C)=C)ccc1O Show InChI InChI=1S/C26H37NO3/c1-18(2)11-13-22-21(16-26(22,4)5)19(3)9-7-8-10-25(29)27-17-20-12-14-23(28)24(15-20)30-6/h8,10,12,14-15,21-22,28H,1,3,7,9,11,13,16-17H2,2,4-6H3,(H,27,29)/b10-8+/t21-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	>-6.93	n/a	n/a	n/a	n/a	n/a	7.4	30
University of Bern , Bühlstrasse 28, CH-3012 Bern, Switzerland.					Assay Description In this assay, 18 ug of crude membrane expressing hCB1 or hCB2 receptors were re-suspended in 300 uL of binding buffer containing 50 mM Tris-HCl, 2.5...				ACS Chem Biol 9: 1499-507 (2014) Article DOI: 10.1021/cb500177c BindingDB Entry DOI: 10.7270/Q2T15295
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM113767 ((E)-6-((1R,2R)-3,3-Dimethyl-2-(3-methylbut-3-enyl)...) Show SMILES COc1cc(CNC(=O)\C=C\CCC(=C)[C@@H]2CC(C)(C)[C@@H]2CCC(C)=C)ccc1O Show InChI InChI=1S/C26H37NO3/c1-18(2)11-13-22-21(16-26(22,4)5)19(3)9-7-8-10-25(29)27-17-20-12-14-23(28)24(15-20)30-6/h8,10,12,14-15,21-22,28H,1,3,7,9,11,13,16-17H2,2,4-6H3,(H,27,29)/b10-8+/t21-,22+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	>-6.93	n/a	n/a	n/a	n/a	n/a	7.4	30
University of Bern , Bühlstrasse 28, CH-3012 Bern, Switzerland.					Assay Description In this assay, 18 ug of crude membrane expressing hCB1 or hCB2 receptors were re-suspended in 300 uL of binding buffer containing 50 mM Tris-HCl, 2.5...				ACS Chem Biol 9: 1499-507 (2014) Article DOI: 10.1021/cb500177c BindingDB Entry DOI: 10.7270/Q2T15295
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM113767 ((E)-6-((1R,2R)-3,3-Dimethyl-2-(3-methylbut-3-enyl)...) Show SMILES COc1cc(CNC(=O)\C=C\CCC(=C)[C@@H]2CC(C)(C)[C@@H]2CCC(C)=C)ccc1O Show InChI InChI=1S/C26H37NO3/c1-18(2)11-13-22-21(16-26(22,4)5)19(3)9-7-8-10-25(29)27-17-20-12-14-23(28)24(15-20)30-6/h8,10,12,14-15,21-22,28H,1,3,7,9,11,13,16-17H2,2,4-6H3,(H,27,29)/b10-8+/t21-,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a	8.0	25
University of Bern , Bühlstrasse 28, CH-3012 Bern, Switzerland.					Assay Description Tested compounds (50 uM), DuP-597 (0.5 uM; positive control), 11f and 11eie(1 nM - 200 uM ) or vehicle were pre-incubated with COX-FIS assay buffer (...				ACS Chem Biol 9: 1499-507 (2014) Article DOI: 10.1021/cb500177c BindingDB Entry DOI: 10.7270/Q2T15295
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM113767 ((E)-6-((1R,2R)-3,3-Dimethyl-2-(3-methylbut-3-enyl)...) Show SMILES COc1cc(CNC(=O)\C=C\CCC(=C)[C@@H]2CC(C)(C)[C@@H]2CCC(C)=C)ccc1O Show InChI InChI=1S/C26H37NO3/c1-18(2)11-13-22-21(16-26(22,4)5)19(3)9-7-8-10-25(29)27-17-20-12-14-23(28)24(15-20)30-6/h8,10,12,14-15,21-22,28H,1,3,7,9,11,13,16-17H2,2,4-6H3,(H,27,29)/b10-8+/t21-,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	8.0	25
University of Bern , Bühlstrasse 28, CH-3012 Bern, Switzerland.					Assay Description Tested compounds (50 uM), DuP-597 (0.5 uM; positive control), 11f and 11eie(1 nM - 200 uM ) or vehicle were pre-incubated with COX-FIS assay buffer (...				ACS Chem Biol 9: 1499-507 (2014) Article DOI: 10.1021/cb500177c BindingDB Entry DOI: 10.7270/Q2T15295
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM113767 ((E)-6-((1R,2R)-3,3-Dimethyl-2-(3-methylbut-3-enyl)...) Show SMILES COc1cc(CNC(=O)\C=C\CCC(=C)[C@@H]2CC(C)(C)[C@@H]2CCC(C)=C)ccc1O Show InChI InChI=1S/C26H37NO3/c1-18(2)11-13-22-21(16-26(22,4)5)19(3)9-7-8-10-25(29)27-17-20-12-14-23(28)24(15-20)30-6/h8,10,12,14-15,21-22,28H,1,3,7,9,11,13,16-17H2,2,4-6H3,(H,27,29)/b10-8+/t21-,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	7.6	37
University of Bern , Bühlstrasse 28, CH-3012 Bern, Switzerland.					Assay Description In this assay, 0.05 Units of hFAAH was pre-incubated for 30 min at 37 C with 2 uL of 11a, 11b, 11f at different concentrations (0.01 - 100 uM) or veh...				ACS Chem Biol 9: 1499-507 (2014) Article DOI: 10.1021/cb500177c BindingDB Entry DOI: 10.7270/Q2T15295
					More data for this Ligand-Target Pair