BDBM50097423 4-Methoxy-N-(3-phenyl-[1,2,4]thiadiazol-5-yl)-benzamide::4-Methoxy-N-(3-phenyl-[1,2,4]thiadiazol-5-yl)-benzamide(LUF5417)::4-methoxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide::CHEMBL305322::LUF-5417

SMILES: COc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1

InChI Key: InChIKey=RGVXOHBJCGPTQH-UHFFFAOYSA-N

Data: 8 KI

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 = 50097423   

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
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50097423 (4-Methoxy-N-(3-phenyl-[1,2,4]thiadiazol-5-yl)-benz...) Show SMILES COc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1 Show InChI InChI=1S/C16H13N3O2S/c1-21-13-9-7-12(8-10-13)15(20)18-16-17-14(19-22-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from Adenosine A1 receptor of rat cortical membrane				Bioorg Med Chem Lett 11: 2017-9 (2001) BindingDB Entry DOI: 10.7270/Q2HM57QP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50097423 (4-Methoxy-N-(3-phenyl-[1,2,4]thiadiazol-5-yl)-benz...) Show SMILES COc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1 Show InChI InChI=1S/C16H13N3O2S/c1-21-13-9-7-12(8-10-13)15(20)18-16-17-14(19-22-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine A1 receptor in rat brain cortical membrane in presence of 100 uM GTP				Bioorg Med Chem 18: 2195-203 (2010) Article DOI: 10.1016/j.bmc.2010.01.072 BindingDB Entry DOI: 10.7270/Q2BZ670J
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50097423 (4-Methoxy-N-(3-phenyl-[1,2,4]thiadiazol-5-yl)-benz...) Show SMILES COc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1 Show InChI InChI=1S/C16H13N3O2S/c1-21-13-9-7-12(8-10-13)15(20)18-16-17-14(19-22-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX binding to adenosine A1 receptor of rat brain cortical membrane				J Med Chem 44: 749-62 (2001) BindingDB Entry DOI: 10.7270/Q2H132Q0
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50097423 (4-Methoxy-N-(3-phenyl-[1,2,4]thiadiazol-5-yl)-benz...) Show SMILES COc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1 Show InChI InChI=1S/C16H13N3O2S/c1-21-13-9-7-12(8-10-13)15(20)18-16-17-14(19-22-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [125I]-AB MECA from human Adenosine A3 receptor expressed in HEK 293 cells				Bioorg Med Chem Lett 11: 2017-9 (2001) BindingDB Entry DOI: 10.7270/Q2HM57QP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50097423 (4-Methoxy-N-(3-phenyl-[1,2,4]thiadiazol-5-yl)-benz...) Show SMILES COc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1 Show InChI InChI=1S/C16H13N3O2S/c1-21-13-9-7-12(8-10-13)15(20)18-16-17-14(19-22-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells				J Med Chem 44: 749-62 (2001) BindingDB Entry DOI: 10.7270/Q2H132Q0
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50097423 (4-Methoxy-N-(3-phenyl-[1,2,4]thiadiazol-5-yl)-benz...) Show SMILES COc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1 Show InChI InChI=1S/C16H13N3O2S/c1-21-13-9-7-12(8-10-13)15(20)18-16-17-14(19-22-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Binding affinity to human adenosine A3 receptor				Bioorg Med Chem 18: 2195-203 (2010) Article DOI: 10.1016/j.bmc.2010.01.072 BindingDB Entry DOI: 10.7270/Q2BZ670J
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50097423 (4-Methoxy-N-(3-phenyl-[1,2,4]thiadiazol-5-yl)-benz...) Show SMILES COc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1 Show InChI InChI=1S/C16H13N3O2S/c1-21-13-9-7-12(8-10-13)15(20)18-16-17-14(19-22-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Displacement of [3H]-CGS-21,680 or [3H]ZM-241385 binding in adenosine A2A receptor of rat striatal membrane was determined				J Med Chem 44: 749-62 (2001) BindingDB Entry DOI: 10.7270/Q2H132Q0
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50097423 (4-Methoxy-N-(3-phenyl-[1,2,4]thiadiazol-5-yl)-benz...) Show SMILES COc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1 Show InChI InChI=1S/C16H13N3O2S/c1-21-13-9-7-12(8-10-13)15(20)18-16-17-14(19-22-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatum membrane				Bioorg Med Chem 18: 2195-203 (2010) Article DOI: 10.1016/j.bmc.2010.01.072 BindingDB Entry DOI: 10.7270/Q2BZ670J
					More data for this Ligand-Target Pair