BDBM50285554 3-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-ylsulfanyl)-propionamide::CHEMBL79201

SMILES: NC(=O)CCSc1nc(N)c2cnn(-c3ccccc3)c2n1

InChI Key: InChIKey=AFXKLUCTBPZBAJ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50285554   

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 Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50285554 (3-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...) Show SMILES NC(=O)CCSc1nc(N)c2cnn(-c3ccccc3)c2n1 Show InChI InChI=1S/C14H14N6OS/c15-11(21)6-7-22-14-18-12(16)10-8-17-20(13(10)19-14)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,15,21)(H2,16,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Adenosine A2a receptor by inhibition of [3H]-CGS-21,680 binding to rat brain striatum membranes				Bioorg Med Chem Lett 5: 2409-2412 (1995) Article DOI: 10.1016/0960-894X(95)00420-X BindingDB Entry DOI: 10.7270/Q2HT2P9M
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50285554 (3-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...) Show SMILES NC(=O)CCSc1nc(N)c2cnn(-c3ccccc3)c2n1 Show InChI InChI=1S/C14H14N6OS/c15-11(21)6-7-22-14-18-12(16)10-8-17-20(13(10)19-14)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,15,21)(H2,16,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of A2a agonist [3H]-CGS- 21680 binding to rat striatal membranes				Bioorg Med Chem Lett 6: 357-360 (1996) Article DOI: 10.1016/0960-894X(96)00027-3 BindingDB Entry DOI: 10.7270/Q2HQ3ZWW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50285554 (3-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...) Show SMILES NC(=O)CCSc1nc(N)c2cnn(-c3ccccc3)c2n1 Show InChI InChI=1S/C14H14N6OS/c15-11(21)6-7-22-14-18-12(16)10-8-17-20(13(10)19-14)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,15,21)(H2,16,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	428	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of A1 agonist (R)-[3H]-N 6-(phenylisopropyl) adenosine binding to membranes from rat whole brain				Bioorg Med Chem Lett 6: 357-360 (1996) Article DOI: 10.1016/0960-894X(96)00027-3 BindingDB Entry DOI: 10.7270/Q2HQ3ZWW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50285554 (3-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-...) Show SMILES NC(=O)CCSc1nc(N)c2cnn(-c3ccccc3)c2n1 Show InChI InChI=1S/C14H14N6OS/c15-11(21)6-7-22-14-18-12(16)10-8-17-20(13(10)19-14)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,15,21)(H2,16,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	428	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for Adenosine A1 receptor by inhibition of [3H]-PIA binding to whole rat brain membranes				Bioorg Med Chem Lett 5: 2409-2412 (1995) Article DOI: 10.1016/0960-894X(95)00420-X BindingDB Entry DOI: 10.7270/Q2HT2P9M
					More data for this Ligand-Target Pair