BDBM50454204 CHEMBL2114186

SMILES: C[C@@H](Cc1ccccc1)n1c2ccccc2c2c(N)nc(nc12)-c1ccccc1

InChI Key: InChIKey=ZLDAYRVAIQOCCR-KRWDZBQOSA-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 = 50454204   

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))	BDBM50454204 (CHEMBL2114186) Show SMILES C[C@@H](Cc1ccccc1)n1c2ccccc2c2c(N)nc(nc12)-c1ccccc1 |r| Show InChI InChI=1S/C25H22N4/c1-17(16-18-10-4-2-5-11-18)29-21-15-9-8-14-20(21)22-23(26)27-24(28-25(22)29)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3,(H2,26,27,28)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Radioligand binding assay for [3H]-PIA affinity towards Adenosine A1 receptor of rat cerebral cortical membrane				J Med Chem 39: 2482-91 (1996) Article DOI: 10.1021/jm960011w BindingDB Entry DOI: 10.7270/Q27H1HPH
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50454204 (CHEMBL2114186) Show SMILES C[C@@H](Cc1ccccc1)n1c2ccccc2c2c(N)nc(nc12)-c1ccccc1 |r| Show InChI InChI=1S/C25H22N4/c1-17(16-18-10-4-2-5-11-18)29-21-15-9-8-14-20(21)22-23(26)27-24(28-25(22)29)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3,(H2,26,27,28)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Radioligand binding assay for [3H]-NECA affinity towards adenosine A2A receptor of rat striatum				J Med Chem 39: 2482-91 (1996) Article DOI: 10.1021/jm960011w BindingDB Entry DOI: 10.7270/Q27H1HPH
					More data for this Ligand-Target Pair