BDBM50394724 CHEMBL2165805

SMILES: CC1CC[C@@H](C)N1Cc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1

InChI Key: InChIKey=GQNKLNZBZDEAMD-GICMACPYSA-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 = 50394724   

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 A2a (Homo sapiens (Human))	BDBM50394724 (CHEMBL2165805) Show SMILES CC1CC[C@@H](C)N1Cc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 |r| Show InChI InChI=1S/C24H24N4O/c1-14-8-9-15(2)28(14)13-16-10-11-18-19(12-16)22-20(23(18)29)21(26-24(25)27-22)17-6-4-3-5-7-17/h3-7,10-12,14-15H,8-9,13H2,1-2H3,(H2,25,26,27)/t14-,15?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50394724 (CHEMBL2165805) Show SMILES CC1CC[C@@H](C)N1Cc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1 |r| Show InChI InChI=1S/C24H24N4O/c1-14-8-9-15(2)28(14)13-16-10-11-18-19(12-16)22-20(23(18)29)21(26-24(25)27-22)17-6-4-3-5-7-17/h3-7,10-12,14-15H,8-9,13H2,1-2H3,(H2,25,26,27)/t14-,15?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAMP production				J Med Chem 55: 1402-17 (2012) Article DOI: 10.1021/jm201640m BindingDB Entry DOI: 10.7270/Q2CZ388Q
					More data for this Ligand-Target Pair