BDBM50348164 CHEMBL1800863

SMILES: COc1cc(on1)-c1nc2N(Cc3ccccc3)C(=O)N3CC(C)N=C3c2[nH]1

InChI Key: InChIKey=TZUCWLTXMJAOCP-UHFFFAOYSA-N

Data: 3 KI  2 IC50

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 5 hits for monomerid = 50348164   

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))	BDBM50348164 (CHEMBL1800863) Show SMILES COc1cc(on1)-c1nc2N(Cc3ccccc3)C(=O)N3CC(C)N=C3c2[nH]1 |c:26| Show InChI InChI=1S/C19H18N6O3/c1-11-9-24-17(20-11)15-18(22-16(21-15)13-8-14(27-2)23-28-13)25(19(24)26)10-12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H,21,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation spectrometry				J Med Chem 54: 5205-20 (2011) Article DOI: 10.1021/jm2004738 BindingDB Entry DOI: 10.7270/Q21N81G6
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50348164 (CHEMBL1800863) Show SMILES COc1cc(on1)-c1nc2N(Cc3ccccc3)C(=O)N3CC(C)N=C3c2[nH]1 |c:26| Show InChI InChI=1S/C19H18N6O3/c1-11-9-24-17(20-11)15-18(22-16(21-15)13-8-14(27-2)23-28-13)25(19(24)26)10-12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by scintillation spectrometry				J Med Chem 54: 5205-20 (2011) Article DOI: 10.1021/jm2004738 BindingDB Entry DOI: 10.7270/Q21N81G6
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50348164 (CHEMBL1800863) Show SMILES COc1cc(on1)-c1nc2N(Cc3ccccc3)C(=O)N3CC(C)N=C3c2[nH]1 |c:26| Show InChI InChI=1S/C19H18N6O3/c1-11-9-24-17(20-11)15-18(22-16(21-15)13-8-14(27-2)23-28-13)25(19(24)26)10-12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H,21,22)	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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by scintillation spectrometry				J Med Chem 54: 5205-20 (2011) Article DOI: 10.1021/jm2004738 BindingDB Entry DOI: 10.7270/Q21N81G6
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50348164 (CHEMBL1800863) Show SMILES COc1cc(on1)-c1nc2N(Cc3ccccc3)C(=O)N3CC(C)N=C3c2[nH]1 |c:26| Show InChI InChI=1S/C19H18N6O3/c1-11-9-24-17(20-11)15-18(22-16(21-15)13-8-14(27-2)23-28-13)25(19(24)26)10-12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H,21,22)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Antagonist activity human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-mediated [3H]cAMP accumulation after 150 mins ...				J Med Chem 54: 5205-20 (2011) Article DOI: 10.1021/jm2004738 BindingDB Entry DOI: 10.7270/Q21N81G6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50348164 (CHEMBL1800863) Show SMILES COc1cc(on1)-c1nc2N(Cc3ccccc3)C(=O)N3CC(C)N=C3c2[nH]1 |c:26| Show InChI InChI=1S/C19H18N6O3/c1-11-9-24-17(20-11)15-18(22-16(21-15)13-8-14(27-2)23-28-13)25(19(24)26)10-12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H,21,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20.4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Antagonist activity human adenosine A3 receptor expressed in CHO cells assessed as blockade of Cl-IB-MECA-mediated inhibition of forskolin-stimulated...				J Med Chem 54: 5205-20 (2011) Article DOI: 10.1021/jm2004738 BindingDB Entry DOI: 10.7270/Q21N81G6
					More data for this Ligand-Target Pair