BDBM50470478 CHEMBL4287429

SMILES: CNc1ncc(C(=O)NCc2ccc(Cl)cc2)c2nc(nn12)-c1ccco1

InChI Key: InChIKey=KZBHIBZMAGPGET-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 = 50470478   

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))	BDBM50470478 (CHEMBL4287429) Show SMILES CNc1ncc(C(=O)NCc2ccc(Cl)cc2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H15ClN6O2/c1-20-18-22-10-13(17(26)21-9-11-4-6-12(19)7-5-11)16-23-15(24-25(16)18)14-3-2-8-27-14/h2-8,10H,9H2,1H3,(H,20,22)(H,21,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50470478 (CHEMBL4287429) Show SMILES CNc1ncc(C(=O)NCc2ccc(Cl)cc2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H15ClN6O2/c1-20-18-22-10-13(17(26)21-9-11-4-6-12(19)7-5-11)16-23-15(24-25(16)18)14-3-2-8-27-14/h2-8,10H,9H2,1H3,(H,20,22)(H,21,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50470478 (CHEMBL4287429) Show SMILES CNc1ncc(C(=O)NCc2ccc(Cl)cc2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H15ClN6O2/c1-20-18-22-10-13(17(26)21-9-11-4-6-12(19)7-5-11)16-23-15(24-25(16)18)14-3-2-8-27-14/h2-8,10H,9H2,1H3,(H,20,22)(H,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	137	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cell membranes after 3 hrs by micro beta scintillation counting method				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair
Adenosine receptors; A2a & A2b (Homo sapiens (Human))	BDBM50470478 (CHEMBL4287429) Show SMILES CNc1ncc(C(=O)NCc2ccc(Cl)cc2)c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H15ClN6O2/c1-20-18-22-10-13(17(26)21-9-11-4-6-12(19)7-5-11)16-23-15(24-25(16)18)14-3-2-8-27-14/h2-8,10H,9H2,1H3,(H,20,22)(H,21,26)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Trieste Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2B receptor expressed in CHO cell membranes assessed as inhibition of NECA-stimulated adenylyl cyclase activi...				Eur J Med Chem 157: 837-851 (2018) Article DOI: 10.1016/j.ejmech.2018.08.042 BindingDB Entry DOI: 10.7270/Q2H41V45
					More data for this Ligand-Target Pair