Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50010626   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM20462 ((5Z,8Z,11Z,14Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]ic...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C28H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)29-23-22-25-20-21-26(30)27(31)24-25/h6-7,9-10,12-13,15-16,20-21,24,30-31H,2-5,8,11,14,17-19,22-23H2,1H3,(H,29,32)/b7-6-,10-9-,13-12-,16-15-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Bioorganic Chemistry RAS Curated by ChEMBL					Assay Description Concentration required to displace 0.4 nM [3H]-SR-141,716A from CB1 receptor in rat brain preparations in the presence of 0.1 mM phenylmethyl sulphon...				Bioorg Med Chem Lett 11: 447-9 (2001) BindingDB Entry DOI: 10.7270/Q2VT1RBM
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50096883 ((5Z,8Z,11Z,14Z,17Z)-Icosa-5,8,11,14,17-pentaenoic ...) Show SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C28H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)29-23-22-25-20-21-26(30)27(31)24-25/h3-4,6-7,9-10,12-13,15-16,20-21,24,30-31H,2,5,8,11,14,17-19,22-23H2,1H3,(H,29,32)/b4-3-,7-6-,10-9-,13-12-,16-15-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Bioorganic Chemistry RAS Curated by ChEMBL					Assay Description Concentration required to displace 0.4 nM [3H]-SR-141,716A from CB1 receptor in rat brain preparations in the presence of 0.1 mM phenylmethyl sulphon...				Bioorg Med Chem Lett 11: 447-9 (2001) BindingDB Entry DOI: 10.7270/Q2VT1RBM
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM22988 ((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Bioorganic Chemistry RAS Curated by ChEMBL					Assay Description Concentration required to displace 0.4 nM [3H]-SR-141,716A from CB1 receptor in rat brain preparations in the presence of 0.1 mM phenylmethyl sulphon...				Bioorg Med Chem Lett 11: 447-9 (2001) BindingDB Entry DOI: 10.7270/Q2VT1RBM
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50096881 ((10Z,13Z,16Z,19Z)-Docosa-7,10,13,16,19-pentaenoic ...) Show SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C30H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30(34)31-25-24-27-22-23-28(32)29(33)26-27/h3-4,6-7,9-10,12-13,15-16,22-23,26,32-33H,2,5,8,11,14,17-21,24-25H2,1H3,(H,31,34)/b4-3-,7-6-,10-9-,13-12-,16-15-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Bioorganic Chemistry RAS Curated by ChEMBL					Assay Description Concentration required to displace 0.4 nM [3H]-SR-141,716A from CB1 receptor in rat brain preparations in the presence of 0.1 mM phenylmethyl sulphon...				Bioorg Med Chem Lett 11: 447-9 (2001) BindingDB Entry DOI: 10.7270/Q2VT1RBM
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50096882 ((5Z,9Z,12Z)-Octadeca-5,9,12-trienoic acid [2-(3,4-...) Show SMILES CCCCC\C=C/C\C=C/CC\C=C/CCCC(=O)NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C26H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h6-7,9-10,13-14,18-19,22,28-29H,2-5,8,11-12,15-17,20-21H2,1H3,(H,27,30)/b7-6-,10-9-,14-13-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Bioorganic Chemistry RAS Curated by ChEMBL					Assay Description Concentration required to displace 0.4 nM [3H]-SR-141,716A from CB1 receptor in rat brain preparations in the presence of 0.1 mM phenylmethyl sulphon...				Bioorg Med Chem Lett 11: 447-9 (2001) BindingDB Entry DOI: 10.7270/Q2VT1RBM
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50096885 ((6Z,9Z,12Z,15Z)-Octadeca-6,9,12,15-tetraenoic acid...) Show SMILES CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C26H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h3-4,6-7,9-10,12-13,18-19,22,28-29H,2,5,8,11,14-17,20-21H2,1H3,(H,27,30)/b4-3-,7-6-,10-9-,13-12-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Bioorganic Chemistry RAS Curated by ChEMBL					Assay Description Concentration required to displace 0.4 nM [3H]-SR-141,716A from CB1 receptor in rat brain preparations in the presence of 0.1 mM phenylmethyl sulphon...				Bioorg Med Chem Lett 11: 447-9 (2001) BindingDB Entry DOI: 10.7270/Q2VT1RBM
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50096884 ((9Z,12Z,15Z)-Octadeca-9,12,15-trienoic acid [2-(3,...) Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C26H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h3-4,6-7,9-10,18-19,22,28-29H,2,5,8,11-17,20-21H2,1H3,(H,27,30)/b4-3-,7-6-,10-9-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Bioorganic Chemistry RAS Curated by ChEMBL					Assay Description Concentration required to displace 0.4 nM [3H]-SR-141,716A from CB1 receptor in rat brain preparations in the presence of 0.1 mM phenylmethyl sulphon...				Bioorg Med Chem Lett 11: 447-9 (2001) BindingDB Entry DOI: 10.7270/Q2VT1RBM
					More data for this Ligand-Target Pair