BDBM50079451 (S)-2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-((R)-2,2-dimethyl-[1,3]dioxolan-4-ylmethyl) ester 5-ethyl ester::CHEMBL104198

SMILES: CCOC(=O)C1=C(N=C(C)C([C@@H]1C#Cc1ccccc1)C(=O)OC[C@H]1COC(C)(C)O1)c1ccccc1

InChI Key: InChIKey=IDTBWKBSTIZTHN-JWDFLIAJSA-N

Data: 2 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 2 hits for monomerid = 50079451   

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))	BDBM50079451 ((S)-2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-...) Show SMILES CCOC(=O)C1=C(N=C(C)C([C@@H]1C#Cc1ccccc1)C(=O)OC[C@H]1COC(C)(C)O1)c1ccccc1 |t:5,7| Show InChI InChI=1S/C30H31NO6/c1-5-34-29(33)26-24(17-16-21-12-8-6-9-13-21)25(20(2)31-27(26)22-14-10-7-11-15-22)28(32)35-18-23-19-36-30(3,4)37-23/h6-15,23-25H,5,18-19H2,1-4H3/t23-,24-,25?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.31E+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 [125 I]AB-MECA from Adenosine A3 receptor expressed in HEK cells				J Med Chem 42: 3055-65 (1999) Article DOI: 10.1021/jm980688e BindingDB Entry DOI: 10.7270/Q27W6BC3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50079451 ((S)-2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-...) Show SMILES CCOC(=O)C1=C(N=C(C)C([C@@H]1C#Cc1ccccc1)C(=O)OC[C@H]1COC(C)(C)O1)c1ccccc1 |t:5,7| Show InChI InChI=1S/C30H31NO6/c1-5-34-29(33)26-24(17-16-21-12-8-6-9-13-21)25(20(2)31-27(26)22-14-10-7-11-15-22)28(32)35-18-23-19-36-30(3,4)37-23/h6-15,23-25H,5,18-19H2,1-4H3/t23-,24-,25?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20E+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]-R-PIA from adenosine A1 receptor of rat brain membrane				J Med Chem 42: 3055-65 (1999) Article DOI: 10.1021/jm980688e BindingDB Entry DOI: 10.7270/Q27W6BC3
					More data for this Ligand-Target Pair