Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for assayid = 8 entry = 50012701   

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 2 (Homo sapiens (Human))	BDBM50200170 (5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...) Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)N[C@H]2[C@@]3(C)CC[C@H](C3)C2(C)C)cc1 |r| Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22-,27-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at cannabinoid CB2 receptor in human U2OS cells assessed as induction of beta-arrestin recruitment using CCF4/AM as substrat...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116035 BindingDB Entry DOI: 10.7270/Q2K077Z0
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50248604 ((3',5'-dichloro-2,6-dihydroxybiphenyl-4-yl)(phenyl...) Show SMILES Oc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1ccccc1 Show InChI InChI=1S/C19H12Cl2O3/c20-14-6-12(7-15(21)10-14)18-16(22)8-13(9-17(18)23)19(24)11-4-2-1-3-5-11/h1-10,22-23H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	155	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at cannabinoid CB2 receptor in human U2OS cells assessed as induction of beta-arrestin recruitment using CCF4/AM as substrat...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116035 BindingDB Entry DOI: 10.7270/Q2K077Z0
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50559492 (CHEMBL4776518) Show SMILES Oc1cc(cc(O)c1-c1cc(Cl)ccc1Cl)C(=O)c1cccs1 |(54.9,-46.87,;54.9,-48.41,;56.23,-49.19,;56.22,-50.73,;54.9,-51.49,;53.56,-50.73,;52.23,-51.5,;53.56,-49.19,;52.23,-48.41,;50.9,-49.19,;49.57,-48.42,;48.24,-49.2,;49.56,-46.87,;50.89,-46.1,;52.23,-46.87,;53.56,-46.1,;57.55,-51.5,;57.55,-53.04,;58.89,-50.72,;60.3,-51.35,;61.32,-50.2,;60.56,-48.87,;59.05,-49.19,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at cannabinoid CB2 receptor in human U2OS cells assessed as induction of beta-arrestin recruitment using CCF4/AM as substrat...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116035 BindingDB Entry DOI: 10.7270/Q2K077Z0
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50559493 (CHEMBL4793741) Show SMILES Oc1cc(cc(O)c1-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1cccs1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.29E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at cannabinoid CB2 receptor in human U2OS cells assessed as induction of beta-arrestin recruitment using CCF4/AM as substrat...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116035 BindingDB Entry DOI: 10.7270/Q2K077Z0
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50559494 (CHEMBL4759054) Show SMILES Cc1cccc(c1)-c1c(O)cc(cc1O)C(=O)c1cccs1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.17E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at cannabinoid CB2 receptor in human U2OS cells assessed as induction of beta-arrestin recruitment using CCF4/AM as substrat...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116035 BindingDB Entry DOI: 10.7270/Q2K077Z0
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50559508 (CHEMBL4749825) Show SMILES Oc1cc(cc(O)c1-c1cccc(c1)C(F)(F)F)C(=O)c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.47E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at cannabinoid CB2 receptor in human U2OS cells assessed as induction of beta-arrestin recruitment using CCF4/AM as substrat...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116035 BindingDB Entry DOI: 10.7270/Q2K077Z0
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM181239 (US9139546, 26) Show SMILES Cc1cccc(c1)-c1c(O)cc(cc1O)C(=O)c1ccccc1 Show InChI InChI=1S/C20H16O3/c1-13-6-5-9-15(10-13)19-17(21)11-16(12-18(19)22)20(23)14-7-3-2-4-8-14/h2-12,21-22H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at cannabinoid CB2 receptor in human U2OS cells assessed as induction of beta-arrestin recruitment using CCF4/AM as substrat...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116035 BindingDB Entry DOI: 10.7270/Q2K077Z0
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50559505 (CHEMBL4777102) Show SMILES Oc1cc(cc(O)c1-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at cannabinoid CB2 receptor in human U2OS cells assessed as induction of beta-arrestin recruitment using CCF4/AM as substrat...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116035 BindingDB Entry DOI: 10.7270/Q2K077Z0
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50559506 (CHEMBL4756251) Show SMILES Oc1cc(cc(O)c1-c1cc(Cl)ccc1Cl)C(=O)c1ccccc1 |(39.69,-4.74,;39.69,-6.28,;41.02,-7.05,;41.01,-8.59,;39.69,-9.36,;38.35,-8.6,;37.02,-9.37,;38.35,-7.05,;37.02,-6.28,;35.69,-7.05,;34.36,-6.29,;33.03,-7.06,;34.35,-4.74,;35.69,-3.97,;37.02,-4.74,;38.36,-3.97,;42.34,-9.36,;42.34,-10.9,;43.67,-8.59,;45.01,-9.36,;46.35,-8.59,;46.34,-7.04,;45.01,-6.28,;43.68,-7.05,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.03E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at cannabinoid CB2 receptor in human U2OS cells assessed as induction of beta-arrestin recruitment using CCF4/AM as substrat...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116035 BindingDB Entry DOI: 10.7270/Q2K077Z0
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50559507 (CHEMBL4764314) Show SMILES Oc1cc(cc(O)c1-c1cc(F)cc(F)c1)C(=O)c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	8.91E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at cannabinoid CB2 receptor in human U2OS cells assessed as induction of beta-arrestin recruitment using CCF4/AM as substrat...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116035 BindingDB Entry DOI: 10.7270/Q2K077Z0
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50559495 (CHEMBL4796513) Show SMILES Oc1cc(cc(O)c1-c1cccc(c1)C(F)(F)F)C(=O)c1cccs1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	8.51E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at cannabinoid CB2 receptor in human U2OS cells assessed as induction of beta-arrestin recruitment using CCF4/AM as substrat...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116035 BindingDB Entry DOI: 10.7270/Q2K077Z0
					More data for this Ligand-Target Pair