BindingDB PrimarySearch

BDBM50080550 (2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluoromethyl-phenyl)-methanone::(2-amino-4,5-dimethyl-3-thienyl)-[3-(trifluoromethyl)phenyl]methanone::(2-amino-4,5-dimethylthien-3-yl)-[3-(trifluoromethyl)phenyl]-methanone::(2-amino-4,5-dimethylthiophen-3-yl)(3-(trifluoromethyl)phenyl)methanone::CHEMBL59532::PD-81723

SMILES: Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C

InChI Key: InChIKey=KKDKAWKYGCUOGR-UHFFFAOYSA-N

Data: 6 KI 3 Kd 6 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50080550
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50080550 ((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...) Show SMILES Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in rat membrane				J Med Chem 55: 7719-35 (2012) Article DOI: 10.1021/jm3007504 BindingDB Entry DOI: 10.7270/Q2H41SK5
Universit£ di Ferrara Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50080550 ((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...) Show SMILES Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in rat membranes				Eur J Med Chem 101: 185-204 (2015) BindingDB Entry DOI: 10.7270/Q2F47QXG
Universit£ di Ferrara Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50080550 ((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...) Show SMILES Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from A1 adenosine receptor in rat membranes				Bioorg Med Chem 20: 996-1007 (2012) Article DOI: 10.1016/j.bmc.2011.11.044 BindingDB Entry DOI: 10.7270/Q2028S19
Universit£ di Ferrara Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor (Rattus norvegicus (rat))	BDBM50080550 ((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...) Show SMILES Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from rat brain membrane adenosine A1 receptor				Bioorg Med Chem 22: 148-66 (2014) Article DOI: 10.1016/j.bmc.2013.11.043 BindingDB Entry DOI: 10.7270/Q2DF6V5P
Universit£ di Ferrara Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50080550 ((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...) Show SMILES Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in rat membranes				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50080550 ((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...) Show SMILES Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.10E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in rat membranes				J Med Chem 57: 7673-86 (2014) Article DOI: 10.1021/jm5008853 BindingDB Entry DOI: 10.7270/Q2SQ91ZC
Universit£ di Ferrara Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50080550 ((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...) Show SMILES Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	1.74E+3	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells by scintillation counting				J Med Chem 53: 3028-37 (2010) Article DOI: 10.1021/jm901252a BindingDB Entry DOI: 10.7270/Q20K28RD
Leiden University Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50080550 ((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...) Show SMILES Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Antagonist activity against adenosine A1 receptor				J Med Chem 48: 5131-9 (2005) Article DOI: 10.1021/jm049132j BindingDB Entry DOI: 10.7270/Q28W3F3X
University of Virginia Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50080550 ((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...) Show SMILES Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	1.36E+4	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Allosteric modulatory activity at human adenosine A1 receptor expressed in CHOk1 cells assessed as drug level causing half maximal allosteric effect ...				Bioorg Med Chem 17: 7353-61 (2009) Article DOI: 10.1016/j.bmc.2009.08.024 BindingDB Entry DOI: 10.7270/Q2H9959W
Monash University (Parkville Campus) Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50080550 ((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...) Show SMILES Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50080550 ((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...) Show SMILES Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50080550 ((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...) Show SMILES Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	1.36E+4	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Modulation of human adenosine A1 receptor expressed in CHO-K1 cells assessed as allosteric effect on [125I]ABA dissociation				J Med Chem 51: 6165-72 (2008) Article DOI: 10.1021/jm800557d BindingDB Entry DOI: 10.7270/Q2930T0C
Monash University Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50080550 ((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...) Show SMILES Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Allosteric enhancer activity at human adenosine A1 receptor expressed in CHO cell membranes assessed as [3H]NECA affinity constant at 1 uM (Kd = 0.87...				J Med Chem 57: 7673-86 (2014) Article DOI: 10.1021/jm5008853 BindingDB Entry DOI: 10.7270/Q2SQ91ZC
Universit£ di Ferrara Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50080550 ((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...) Show SMILES Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	1.47E+4	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Enhanced 0.5 nM [3H]-CCPA dissociation from adenosine A1 receptor of rat brain cortex membranes compared to 100 uM CPA				J Med Chem 42: 3629-35 (1999) Article DOI: 10.1021/jm991051d BindingDB Entry DOI: 10.7270/Q28K789Z
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50080550 ((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...) Show SMILES Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a
Deakin University Curated by ChEMBL					Assay Description Effective dose as dissociation of [3H]-N6-cyclohexyladenosine ([3H]-CHA) from CHO-K1 membrane after treatment with allosteric enhancer and (R)-PIA				J Med Chem 46: 1870-7 (2003) Article DOI: 10.1021/jm020295m BindingDB Entry DOI: 10.7270/Q2FJ2G5Z
Deakin University Curated by ChEMBL					More data for this Ligand-Target Pair