BDBM50159233 CHEMBL3091704

SMILES: CC(C)OC(=O)C1=C(C)NC(=O)NC1c1ccsc1

InChI Key: InChIKey=OADIHGNGEIAUSB-UHFFFAOYSA-N

Data: 5 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 6 hits for monomerid = 50159233   

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 A2b (Homo sapiens (Human))	BDBM50159233 (CHEMBL3091704) Show SMILES CC(C)OC(=O)C1=C(C)NC(=O)NC1c1ccsc1 |c:6| Show InChI InChI=1S/C13H16N2O3S/c1-7(2)18-12(16)10-8(3)14-13(17)15-11(10)9-4-5-19-6-9/h4-7,11H,1-3H3,(H2,14,15,17)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells after 30 mins				J Med Chem 59: 1967-83 (2016) BindingDB Entry DOI: 10.7270/Q2QF8VS9
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50159233 (CHEMBL3091704) Show SMILES CC(C)OC(=O)C1=C(C)NC(=O)NC1c1ccsc1 |c:6| Show InChI InChI=1S/C13H16N2O3S/c1-7(2)18-12(16)10-8(3)14-13(17)15-11(10)9-4-5-19-6-9/h4-7,11H,1-3H3,(H2,14,15,17)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cell membranes after 30 mins				J Med Chem 60: 3372-3382 (2017) Article DOI: 10.1021/acs.jmedchem.7b00138 BindingDB Entry DOI: 10.7270/Q2TQ6407
					More data for this Ligand-Target Pair
Adenosine receptors; A2a & A2b (Homo sapiens (Human))	BDBM50159233 (CHEMBL3091704) Show SMILES CC(C)OC(=O)C1=C(C)NC(=O)NC1c1ccsc1 |c:6| Show InChI InChI=1S/C13H16N2O3S/c1-7(2)18-12(16)10-8(3)14-13(17)15-11(10)9-4-5-19-6-9/h4-7,11H,1-3H3,(H2,14,15,17)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenosine receptors; A2a & A2b (Homo sapiens (Human))	BDBM50159233 (CHEMBL3091704) Show SMILES CC(C)OC(=O)C1=C(C)NC(=O)NC1c1ccsc1 |c:6| Show InChI InChI=1S/C13H16N2O3S/c1-7(2)18-12(16)10-8(3)14-13(17)15-11(10)9-4-5-19-6-9/h4-7,11H,1-3H3,(H2,14,15,17)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant A2B receptor expressed in human HEK293 cell membranes incubated for 30 mins by radioligand binding c...				J Med Chem 62: 9315-9330 (2019) Article DOI: 10.1021/acs.jmedchem.9b01340
					More data for this Ligand-Target Pair
Adenosine receptors; A2a & A2b (Homo sapiens (Human))	BDBM50159233 (CHEMBL3091704) Show SMILES CC(C)OC(=O)C1=C(C)NC(=O)NC1c1ccsc1 |c:6| Show InChI InChI=1S/C13H16N2O3S/c1-7(2)18-12(16)10-8(3)14-13(17)15-11(10)9-4-5-19-6-9/h4-7,11H,1-3H3,(H2,14,15,17)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant A2B receptor expressed in human HEK293 cell membranes incubated for 30 mins by radioligand binding c...				J Med Chem 62: 9315-9330 (2019) Article DOI: 10.1021/acs.jmedchem.9b01340
					More data for this Ligand-Target Pair
Adenosine receptors; A2a & A2b (Homo sapiens (Human))	BDBM50159233 (CHEMBL3091704) Show SMILES CC(C)OC(=O)C1=C(C)NC(=O)NC1c1ccsc1 |c:6| Show InChI InChI=1S/C13H16N2O3S/c1-7(2)18-12(16)10-8(3)14-13(17)15-11(10)9-4-5-19-6-9/h4-7,11H,1-3H3,(H2,14,15,17)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 30 mins by Scatchard plot analysis				ACS Med Chem Lett 4: 1031-6 (2013) Article DOI: 10.1021/ml400185v BindingDB Entry DOI: 10.7270/Q24B348P
					More data for this Ligand-Target Pair