BDBM50453221 CHEMBL2113510

SMILES: CCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

InChI Key: InChIKey=LZDOYNUYPGJBBG-PMXXHBEXSA-N

Data: 7 KI  1 IC50  1 EC50

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 9 hits for monomerid = 50453221   

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 A2 receptor (Homo sapiens (Human))	BDBM50453221 (CHEMBL2113510) Show SMILES CCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C15H19N5O4/c1-2-3-4-5-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)24-15/h7-8,11-12,15,21-23H,2-3,6H2,1H3,(H2,16,18,19)/t8-,11-,12-,15-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity against adenosine A2 receptor from human platelet membranes using [3H]NECA				J Med Chem 35: 2363-8 (1992) BindingDB Entry DOI: 10.7270/Q2M9098M
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50453221 (CHEMBL2113510) Show SMILES CCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C15H19N5O4/c1-2-3-4-5-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)24-15/h7-8,11-12,15,21-23H,2-3,6H2,1H3,(H2,16,18,19)/t8-,11-,12-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Binding affinity against adenosine A2 receptor in rat striatal membranes using [3H]NECA as radioligand				J Med Chem 35: 241-52 (1992) BindingDB Entry DOI: 10.7270/Q20C4WD2
					More data for this Ligand-Target Pair
Adenosine receptor (Rattus norvegicus (rat))	BDBM50453221 (CHEMBL2113510) Show SMILES CCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C15H19N5O4/c1-2-3-4-5-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)24-15/h7-8,11-12,15,21-23H,2-3,6H2,1H3,(H2,16,18,19)/t8-,11-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity against high affinity component of adenosine A1 receptors from rat brain membranes using [3H]DPCPX				J Med Chem 35: 2363-8 (1992) BindingDB Entry DOI: 10.7270/Q2M9098M
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50453221 (CHEMBL2113510) Show SMILES CCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C15H19N5O4/c1-2-3-4-5-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)24-15/h7-8,11-12,15,21-23H,2-3,6H2,1H3,(H2,16,18,19)/t8-,11-,12-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity against low affinity component of Adenosine A1 receptor from rat brain membranes using [3H]DPCPX				J Med Chem 35: 2363-8 (1992) BindingDB Entry DOI: 10.7270/Q2M9098M
					More data for this Ligand-Target Pair
Adenosine receptor (Rattus norvegicus (rat))	BDBM50453221 (CHEMBL2113510) Show SMILES CCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C15H19N5O4/c1-2-3-4-5-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)24-15/h7-8,11-12,15,21-23H,2-3,6H2,1H3,(H2,16,18,19)/t8-,11-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptors from rat brain membranes using [3H]CCPA				J Med Chem 35: 2363-8 (1992) BindingDB Entry DOI: 10.7270/Q2M9098M
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50453221 (CHEMBL2113510) Show SMILES CCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C15H19N5O4/c1-2-3-4-5-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)24-15/h7-8,11-12,15,21-23H,2-3,6H2,1H3,(H2,16,18,19)/t8-,11-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	154	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor in rat brain membranes using [3H]CHA as radioligand				J Med Chem 35: 241-52 (1992) BindingDB Entry DOI: 10.7270/Q20C4WD2
					More data for this Ligand-Target Pair
Adenosine receptor (Rattus norvegicus (rat))	BDBM50453221 (CHEMBL2113510) Show SMILES CCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C15H19N5O4/c1-2-3-4-5-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)24-15/h7-8,11-12,15,21-23H,2-3,6H2,1H3,(H2,16,18,19)/t8-,11-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	849	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptors from rat brain membranes using [3H]CCPA				J Med Chem 35: 2363-8 (1992) BindingDB Entry DOI: 10.7270/Q2M9098M
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50453221 (CHEMBL2113510) Show SMILES CCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C15H19N5O4/c1-2-3-4-5-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)24-15/h7-8,11-12,15,21-23H,2-3,6H2,1H3,(H2,16,18,19)/t8-,11-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Inhibition of adenylate cyclase via adenosine A1 receptors in rat fat cell membranes				J Med Chem 35: 2363-8 (1992) BindingDB Entry DOI: 10.7270/Q2M9098M
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Homo sapiens (Human))	BDBM50453221 (CHEMBL2113510) Show SMILES CCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C15H19N5O4/c1-2-3-4-5-9-18-13(16)10-14(19-9)20(7-17-10)15-12(23)11(22)8(6-21)24-15/h7-8,11-12,15,21-23H,2-3,6H2,1H3,(H2,16,18,19)/t8-,11-,12-,15-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	127	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Maximal NECA stimulation of adenylate cyclase via adenosine A2 receptor in human platelet membranes				J Med Chem 35: 2363-8 (1992) BindingDB Entry DOI: 10.7270/Q2M9098M
					More data for this Ligand-Target Pair