BDBM50238381 CHEMBL4064795

SMILES: CCOc1ccc(cc1)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1

InChI Key: InChIKey=SHMHGBZUFQHAIL-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 = 50238381   

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))	BDBM50238381 (CHEMBL4064795) Show SMILES CCOc1ccc(cc1)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1 Show InChI InChI=1S/C19H17N5O2/c1-2-26-15-10-8-13(9-11-15)16-12-23-18(17(20)21-16)22-24(19(23)25)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H2,20,21)	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	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine receptor A2A expressed in CHO cell membranes after 3 hrs by microbeta scintillation counting method				J Med Chem 60: 5772-5790 (2017) Article DOI: 10.1021/acs.jmedchem.7b00457 BindingDB Entry DOI: 10.7270/Q21V5H87
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50238381 (CHEMBL4064795) Show SMILES CCOc1ccc(cc1)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1 Show InChI InChI=1S/C19H17N5O2/c1-2-26-15-10-8-13(9-11-15)16-12-23-18(17(20)21-16)22-24(19(23)25)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H2,20,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description The binding affinity was evaluated against [3H]dalamid binding to neuroblastoma X glioma hybrid cell NG108-15 (Opioid receptor delta 1)membranes				J Med Chem 60: 5772-5790 (2017) Article DOI: 10.1021/acs.jmedchem.7b00457 BindingDB Entry DOI: 10.7270/Q21V5H87
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50238381 (CHEMBL4064795) Show SMILES CCOc1ccc(cc1)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1 Show InChI InChI=1S/C19H17N5O2/c1-2-26-15-10-8-13(9-11-15)16-12-23-18(17(20)21-16)22-24(19(23)25)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H2,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes after 3 hrs by microbeta scintillation counting method				J Med Chem 60: 5772-5790 (2017) Article DOI: 10.1021/acs.jmedchem.7b00457 BindingDB Entry DOI: 10.7270/Q21V5H87
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50238381 (CHEMBL4064795) Show SMILES CCOc1ccc(cc1)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1 Show InChI InChI=1S/C19H17N5O2/c1-2-26-15-10-8-13(9-11-15)16-12-23-18(17(20)21-16)22-24(19(23)25)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H2,20,21)	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	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Antagonist activity at human adenosine receptor A2A expressed in CHO cell membranes assessed as inhibition of NECA-induced increase of cAMP accumulat...				J Med Chem 60: 5772-5790 (2017) Article DOI: 10.1021/acs.jmedchem.7b00457 BindingDB Entry DOI: 10.7270/Q21V5H87
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50238381 (CHEMBL4064795) Show SMILES CCOc1ccc(cc1)-c1cn2c(nn(-c3ccccc3)c2=O)c(N)n1 Show InChI InChI=1S/C19H17N5O2/c1-2-26-15-10-8-13(9-11-15)16-12-23-18(17(20)21-16)22-24(19(23)25)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H2,20,21)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of dopamine uptake in synaptosomal preparation in rat corpus striatum, using [3H]dopamine				J Med Chem 60: 5772-5790 (2017) Article DOI: 10.1021/acs.jmedchem.7b00457 BindingDB Entry DOI: 10.7270/Q21V5H87
					More data for this Ligand-Target Pair