BDBM113766 (E)-N-(2-Chloroethyl)-6-((1R,2R)-3,3-dimethyl-2-(3-methylbut-3-enyl)cyclobutyl)hepta-2,6-dienamide (11c)

SMILES: CC(=C)CC[C@@H]1[C@@H](CC1(C)C)C(=C)CC\C=C\C(=O)NCCCl

InChI Key: InChIKey=YBLJJAWMZRMZDW-XJMNNFRSSA-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 = 113766   

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))	BDBM113766 ((E)-N-(2-Chloroethyl)-6-((1R,2R)-3,3-dimethyl-2-(3...) Show SMILES CC(=C)CC[C@@H]1[C@@H](CC1(C)C)C(=C)CC\C=C\C(=O)NCCCl Show InChI InChI=1S/C20H32ClNO/c1-15(2)10-11-18-17(14-20(18,4)5)16(3)8-6-7-9-19(23)22-13-12-21/h7,9,17-18H,1,3,6,8,10-14H2,2,4-5H3,(H,22,23)/b9-7+/t17-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.43E+3	-8.10	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))	BDBM113766 ((E)-N-(2-Chloroethyl)-6-((1R,2R)-3,3-dimethyl-2-(3...) Show SMILES CC(=C)CC[C@@H]1[C@@H](CC1(C)C)C(=C)CC\C=C\C(=O)NCCCl Show InChI InChI=1S/C20H32ClNO/c1-15(2)10-11-18-17(14-20(18,4)5)16(3)8-6-7-9-19(23)22-13-12-21/h7,9,17-18H,1,3,6,8,10-14H2,2,4-5H3,(H,22,23)/b9-7+/t17-,18+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.83E+3	-7.51	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))	BDBM113766 ((E)-N-(2-Chloroethyl)-6-((1R,2R)-3,3-dimethyl-2-(3...) Show SMILES CC(=C)CC[C@@H]1[C@@H](CC1(C)C)C(=C)CC\C=C\C(=O)NCCCl Show InChI InChI=1S/C20H32ClNO/c1-15(2)10-11-18-17(14-20(18,4)5)16(3)8-6-7-9-19(23)22-13-12-21/h7,9,17-18H,1,3,6,8,10-14H2,2,4-5H3,(H,22,23)/b9-7+/t17-,18+/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	>5.00E+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))	BDBM113766 ((E)-N-(2-Chloroethyl)-6-((1R,2R)-3,3-dimethyl-2-(3...) Show SMILES CC(=C)CC[C@@H]1[C@@H](CC1(C)C)C(=C)CC\C=C\C(=O)NCCCl Show InChI InChI=1S/C20H32ClNO/c1-15(2)10-11-18-17(14-20(18,4)5)16(3)8-6-7-9-19(23)22-13-12-21/h7,9,17-18H,1,3,6,8,10-14H2,2,4-5H3,(H,22,23)/b9-7+/t17-,18+/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	>5.00E+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
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM113766 ((E)-N-(2-Chloroethyl)-6-((1R,2R)-3,3-dimethyl-2-(3...) Show SMILES CC(=C)CC[C@@H]1[C@@H](CC1(C)C)C(=C)CC\C=C\C(=O)NCCCl Show InChI InChI=1S/C20H32ClNO/c1-15(2)10-11-18-17(14-20(18,4)5)16(3)8-6-7-9-19(23)22-13-12-21/h7,9,17-18H,1,3,6,8,10-14H2,2,4-5H3,(H,22,23)/b9-7+/t17-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	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