BDBM50454227 CHEMBL2112340

SMILES: CCOC(=O)C1=C(C)NC(C)=C(C1C#Cc1ccccc1)C(=O)OC

InChI Key: InChIKey=BFWIGOWQBVQBSF-UHFFFAOYSA-N

Data: 6 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 = 50454227   

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 A3 (Homo sapiens (Human))	BDBM50454227 (CHEMBL2112340) Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1C#Cc1ccccc1)C(=O)OC |c:5,10| Show InChI InChI=1S/C20H21NO4/c1-5-25-20(23)18-14(3)21-13(2)17(19(22)24-4)16(18)12-11-15-9-7-6-8-10-15/h6-10,16,21H,5H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [125]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells				J Med Chem 39: 2980-9 (1996) Article DOI: 10.1021/jm9600205 BindingDB Entry DOI: 10.7270/Q2833SQ6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50454227 (CHEMBL2112340) Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1C#Cc1ccccc1)C(=O)OC |c:5,10| Show InChI InChI=1S/C20H21NO4/c1-5-25-20(23)18-14(3)21-13(2)17(19(22)24-4)16(18)12-11-15-9-7-6-8-10-15/h6-10,16,21H,5H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor.				J Med Chem 40: 2596-608 (1997) Article DOI: 10.1021/jm970091j BindingDB Entry DOI: 10.7270/Q21V5D29
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50454227 (CHEMBL2112340) Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1C#Cc1ccccc1)C(=O)OC |c:5,10| Show InChI InChI=1S/C20H21NO4/c1-5-25-20(23)18-14(3)21-13(2)17(19(22)24-4)16(18)12-11-15-9-7-6-8-10-15/h6-10,16,21H,5H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.39E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of specific [3H]-(R)-PIA binding at adenosine A1 receptor from rat brain membranes.				J Med Chem 40: 2596-608 (1997) Article DOI: 10.1021/jm970091j BindingDB Entry DOI: 10.7270/Q21V5D29
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50454227 (CHEMBL2112340) Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1C#Cc1ccccc1)C(=O)OC |c:5,10| Show InChI InChI=1S/C20H21NO4/c1-5-25-20(23)18-14(3)21-13(2)17(19(22)24-4)16(18)12-11-15-9-7-6-8-10-15/h6-10,16,21H,5H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.39E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [3H](R)-PIA binding to Adenosine A1 receptor in rat brain membranes				J Med Chem 39: 2980-9 (1996) Article DOI: 10.1021/jm9600205 BindingDB Entry DOI: 10.7270/Q2833SQ6
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50454227 (CHEMBL2112340) Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1C#Cc1ccccc1)C(=O)OC |c:5,10| Show InChI InChI=1S/C20H21NO4/c1-5-25-20(23)18-14(3)21-13(2)17(19(22)24-4)16(18)12-11-15-9-7-6-8-10-15/h6-10,16,21H,5H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.83E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of specific [3H]-CGS- 21680 binding at Adenosine A2A receptor in rat striatal membranes.				J Med Chem 40: 2596-608 (1997) Article DOI: 10.1021/jm970091j BindingDB Entry DOI: 10.7270/Q21V5D29
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50454227 (CHEMBL2112340) Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1C#Cc1ccccc1)C(=O)OC |c:5,10| Show InChI InChI=1S/C20H21NO4/c1-5-25-20(23)18-14(3)21-13(2)17(19(22)24-4)16(18)12-11-15-9-7-6-8-10-15/h6-10,16,21H,5H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.83E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal membranes				J Med Chem 39: 2980-9 (1996) Article DOI: 10.1021/jm9600205 BindingDB Entry DOI: 10.7270/Q2833SQ6
					More data for this Ligand-Target Pair