Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50014086   

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))	BDBM50572486 (CHEMBL4860950) Show SMILES CCCCCn1cc(C(=O)c2cccc3CC(C)(C)Cc23)c2ccccc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00442 BindingDB Entry DOI: 10.7270/Q2B56PHQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50572486 (CHEMBL4860950) Show SMILES CCCCCn1cc(C(=O)c2cccc3CC(C)(C)Cc23)c2ccccc12 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00442 BindingDB Entry DOI: 10.7270/Q2B56PHQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50353747 (CHEMBL561013 | JWH-018) Show SMILES CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C24H23NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-7,9-15,17H,2-3,8,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00442 BindingDB Entry DOI: 10.7270/Q2B56PHQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50572487 (CHEMBL4856192) Show SMILES CCCCCn1cc(C(=O)c2ccc3CC(C)(C)Cc3c2)c2ccccc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00442 BindingDB Entry DOI: 10.7270/Q2B56PHQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50353747 (CHEMBL561013 | JWH-018) Show SMILES CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C24H23NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-7,9-15,17H,2-3,8,16H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00442 BindingDB Entry DOI: 10.7270/Q2B56PHQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50572485 (CHEMBL4855206) Show SMILES CC1(C)Cc2ccc(cc2C1)C(=O)c1cn(CCCC=C)c2ccccc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00442 BindingDB Entry DOI: 10.7270/Q2B56PHQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50572489 (CHEMBL4877815) Show SMILES CC1(C)Cc2ccc(cc2C1)C(=O)c1cn(CCCC#C)c2ccccc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00442 BindingDB Entry DOI: 10.7270/Q2B56PHQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50572487 (CHEMBL4856192) Show SMILES CCCCCn1cc(C(=O)c2ccc3CC(C)(C)Cc3c2)c2ccccc12 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00442 BindingDB Entry DOI: 10.7270/Q2B56PHQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50572488 (CHEMBL4866238) Show SMILES Cc1c(C(=O)c2ccc3CC(C)(C)Cc3c2)c2ccccc2n1CCCC#C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00442 BindingDB Entry DOI: 10.7270/Q2B56PHQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50572490 (CHEMBL4872576) Show SMILES CCCn1cc(C(=O)c2ccc3CC(C)(C)Cc3c2)c2ccccc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00442 BindingDB Entry DOI: 10.7270/Q2B56PHQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50572485 (CHEMBL4855206) Show SMILES CC1(C)Cc2ccc(cc2C1)C(=O)c1cn(CCCC=C)c2ccccc12 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	152	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00442 BindingDB Entry DOI: 10.7270/Q2B56PHQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50572489 (CHEMBL4877815) Show SMILES CC1(C)Cc2ccc(cc2C1)C(=O)c1cn(CCCC#C)c2ccccc12 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	325	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00442 BindingDB Entry DOI: 10.7270/Q2B56PHQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50572488 (CHEMBL4866238) Show SMILES Cc1c(C(=O)c2ccc3CC(C)(C)Cc3c2)c2ccccc2n1CCCC#C Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00442 BindingDB Entry DOI: 10.7270/Q2B56PHQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50572490 (CHEMBL4872576) Show SMILES CCCn1cc(C(=O)c2ccc3CC(C)(C)Cc3c2)c2ccccc12 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.56E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cells incubated for 90 mins by liquid scintillation spectrophotometry relative ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00442 BindingDB Entry DOI: 10.7270/Q2B56PHQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50572487 (CHEMBL4856192) Show SMILES CCCCCn1cc(C(=O)c2ccc3CC(C)(C)Cc3c2)c2ccccc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human CB2 receptor expressed in CHO cell membrane assessed as reduction in CP55940-induced [35S]GTPgammaS binding by liquid sc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00442 BindingDB Entry DOI: 10.7270/Q2B56PHQ
					More data for this Ligand-Target Pair