BDBM50543739 CHEMBL4647981

SMILES: CCCCCCC(C)(C)c1cc(OC)cc(OCCCCCCCC(=O)NC2CC2)c1

InChI Key: InChIKey=CWNFRGKJPKDJSQ-UHFFFAOYSA-N

Data: 2 KI  2 IC50  4 EC50

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 8 hits for monomerid = 50543739   

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 1 (Homo sapiens (Human))	BDBM50543739 (CHEMBL4647981) Show SMILES CCCCCCC(C)(C)c1cc(OC)cc(OCCCCCCCC(=O)NC2CC2)c1 Show InChI InChI=1S/C27H45NO3/c1-5-6-7-12-17-27(2,3)22-19-24(30-4)21-25(20-22)31-18-13-10-8-9-11-14-26(29)28-23-15-16-23/h19-21,23H,5-18H2,1-4H3,(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in HEK cell membrane				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50543739 (CHEMBL4647981) Show SMILES CCCCCCC(C)(C)c1cc(OC)cc(OCCCCCCCC(=O)NC2CC2)c1 Show InChI InChI=1S/C27H45NO3/c1-5-6-7-12-17-27(2,3)22-19-24(30-4)21-25(20-22)31-18-13-10-8-9-11-14-26(29)28-23-15-16-23/h19-21,23H,5-18H2,1-4H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in HEK cell membrane				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Vanilloid receptor (Homo sapiens (Human))	BDBM50543739 (CHEMBL4647981) Show SMILES CCCCCCC(C)(C)c1cc(OC)cc(OCCCCCCCC(=O)NC2CC2)c1 Show InChI InChI=1S/C27H45NO3/c1-5-6-7-12-17-27(2,3)22-19-24(30-4)21-25(20-22)31-18-13-10-8-9-11-14-26(29)28-23-15-16-23/h19-21,23H,5-18H2,1-4H3,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced increase of calcium influx preincubated for 5 mins by Fluo...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50543739 (CHEMBL4647981) Show SMILES CCCCCCC(C)(C)c1cc(OC)cc(OCCCCCCCC(=O)NC2CC2)c1 Show InChI InChI=1S/C27H45NO3/c1-5-6-7-12-17-27(2,3)22-19-24(30-4)21-25(20-22)31-18-13-10-8-9-11-14-26(29)28-23-15-16-23/h19-21,23H,5-18H2,1-4H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Antagonist activity at rat recombinant TRPA1 expressed in HEK293 cells assessed as AITC-induced increase of calcium influx preincubated for 5 mins by...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Rattus norvegicus)	BDBM50543739 (CHEMBL4647981) Show SMILES CCCCCCC(C)(C)c1cc(OC)cc(OCCCCCCCC(=O)NC2CC2)c1 Show InChI InChI=1S/C27H45NO3/c1-5-6-7-12-17-27(2,3)22-19-24(30-4)21-25(20-22)31-18-13-10-8-9-11-14-26(29)28-23-15-16-23/h19-21,23H,5-18H2,1-4H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Activation of rat recombinant TRPA1 expressed in HEK293 cells assessed as calcium influx preincubated for 5 mins by Fluo-4AM dye based fluorescence a...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50543739 (CHEMBL4647981) Show SMILES CCCCCCC(C)(C)c1cc(OC)cc(OCCCCCCCC(=O)NC2CC2)c1 Show InChI InChI=1S/C27H45NO3/c1-5-6-7-12-17-27(2,3)22-19-24(30-4)21-25(20-22)31-18-13-10-8-9-11-14-26(29)28-23-15-16-23/h19-21,23H,5-18H2,1-4H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Agonist activity at human CB2 receptor expressed in CHO cell membrane assessed as inhibition of [35S]-GTPgammaS binding incubated for 1 hr by by liqu...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50543739 (CHEMBL4647981) Show SMILES CCCCCCC(C)(C)c1cc(OC)cc(OCCCCCCCC(=O)NC2CC2)c1 Show InChI InChI=1S/C27H45NO3/c1-5-6-7-12-17-27(2,3)22-19-24(30-4)21-25(20-22)31-18-13-10-8-9-11-14-26(29)28-23-15-16-23/h19-21,23H,5-18H2,1-4H3,(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor expressed in CHO cell membrane assessed as stimulation of [35S]-GTPgammaS binding incubated for 1 hr by by liq...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Vanilloid receptor (Homo sapiens (Human))	BDBM50543739 (CHEMBL4647981) Show SMILES CCCCCCC(C)(C)c1cc(OC)cc(OCCCCCCCC(=O)NC2CC2)c1 Show InChI InChI=1S/C27H45NO3/c1-5-6-7-12-17-27(2,3)22-19-24(30-4)21-25(20-22)31-18-13-10-8-9-11-14-26(29)28-23-15-16-23/h19-21,23H,5-18H2,1-4H3,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Activation of human TRPV1 expressed in HEK293 cells assessed as calcium influx preincubated for 5 mins by Fluo-4AM dye based fluorescence assay				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair