null

SMILES: CCCn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(CCC)c1=O

InChI Key: InChIKey=ZIDPBCDCDVIDRH-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50187674   

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))	BDBM50187674 (CHEMBL3828658) Show SMILES CCCn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C22H29N5O3/c1-3-11-26-19-18(20(29)27(12-4-2)22(26)30)25-14-5-13-24(21(25)23-19)15-10-16-6-8-17(28)9-7-16/h6-9,28H,3-5,10-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortical membranes				Bioorg Med Chem 24: 4347-4362 (2016) BindingDB Entry DOI: 10.7270/Q2R49SQ5
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50187674 (CHEMBL3828658) Show SMILES CCCn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C22H29N5O3/c1-3-11-26-19-18(20(29)27(12-4-2)22(26)30)25-14-5-13-24(21(25)23-19)15-10-16-6-8-17(28)9-7-16/h6-9,28H,3-5,10-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	464	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from adenosine receptor A2a in rat brain striatal membranes				Bioorg Med Chem 24: 4347-4362 (2016) BindingDB Entry DOI: 10.7270/Q2R49SQ5
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50187674 (CHEMBL3828658) Show SMILES CCCn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C22H29N5O3/c1-3-11-26-19-18(20(29)27(12-4-2)22(26)30)25-14-5-13-24(21(25)23-19)15-10-16-6-8-17(28)9-7-16/h6-9,28H,3-5,10-15H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	663	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human adenosine receptor A2b expressed in CHO cell membranes				Bioorg Med Chem 24: 4347-4362 (2016) BindingDB Entry DOI: 10.7270/Q2R49SQ5
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50187674 (CHEMBL3828658) Show SMILES CCCn1c2nc3N(CCc4ccc(O)cc4)CCCn3c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C22H29N5O3/c1-3-11-26-19-18(20(29)27(12-4-2)22(26)30)25-14-5-13-24(21(25)23-19)15-10-16-6-8-17(28)9-7-16/h6-9,28H,3-5,10-15H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from recombinant human adenosine receptor A3 expressed in CHO cell membranes				Bioorg Med Chem 24: 4347-4362 (2016) BindingDB Entry DOI: 10.7270/Q2R49SQ5
					More data for this Ligand-Target Pair