BDBM50367311 CHEMBL607763

SMILES: C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1O[C@H](C)[C@@H](O)[C@H]1O

InChI Key: InChIKey=BOZPDAHEDOGGOU-SHQIVCLASA-N

Data: 5 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 5 hits for monomerid = 50367311   

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))	BDBM50367311 (CHEMBL607763) Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1O[C@H](C)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H23N5O3/c1-11(8-13-6-4-3-5-7-13)23-17-14-18(21-9-20-17)24(10-22-14)19-16(26)15(25)12(2)27-19/h3-7,9-12,15-16,19,25-26H,8H2,1-2H3,(H,20,21,23)/t11-,12-,15-,16-,19?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor in rat brain membranes using [3H]CHA as radioligand				J Med Chem 29: 346-53 (1986) BindingDB Entry DOI: 10.7270/Q28P612K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50367311 (CHEMBL607763) Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1O[C@H](C)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H23N5O3/c1-11(8-13-6-4-3-5-7-13)23-17-14-18(21-9-20-17)24(10-22-14)19-16(26)15(25)12(2)27-19/h3-7,9-12,15-16,19,25-26H,8H2,1-2H3,(H,20,21,23)/t11-,12-,15-,16-,19?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Affinity for the Adenosine A1 receptor in the absence of GTP (A1-GTP) by using [3H]DPCPX as radioligand				J Med Chem 38: 4000-6 (1995) BindingDB Entry DOI: 10.7270/Q2W37WZP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50367311 (CHEMBL607763) Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1O[C@H](C)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H23N5O3/c1-11(8-13-6-4-3-5-7-13)23-17-14-18(21-9-20-17)24(10-22-14)19-16(26)15(25)12(2)27-19/h3-7,9-12,15-16,19,25-26H,8H2,1-2H3,(H,20,21,23)/t11-,12-,15-,16-,19?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Affinity for the Adenosine A1 receptor in the presence of GTP (A1+GTP) by using [3H]-DPCPX as radioligand				J Med Chem 38: 4000-6 (1995) BindingDB Entry DOI: 10.7270/Q2W37WZP
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50367311 (CHEMBL607763) Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1O[C@H](C)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H23N5O3/c1-11(8-13-6-4-3-5-7-13)23-17-14-18(21-9-20-17)24(10-22-14)19-16(26)15(25)12(2)27-19/h3-7,9-12,15-16,19,25-26H,8H2,1-2H3,(H,20,21,23)/t11-,12-,15-,16-,19?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity for adenosine A2 receptor in rat striatal membranes using [3H]NECA as radioligand				J Med Chem 29: 346-53 (1986) BindingDB Entry DOI: 10.7270/Q28P612K
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50367311 (CHEMBL607763) Show SMILES C[C@H](Cc1ccccc1)Nc1ncnc2n(cnc12)C1O[C@H](C)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H23N5O3/c1-11(8-13-6-4-3-5-7-13)23-17-14-18(21-9-20-17)24(10-22-14)19-16(26)15(25)12(2)27-19/h3-7,9-12,15-16,19,25-26H,8H2,1-2H3,(H,20,21,23)/t11-,12-,15-,16-,19?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2A receptor by using [3H]CGS-21680 as radioligand				J Med Chem 38: 4000-6 (1995) BindingDB Entry DOI: 10.7270/Q2W37WZP
					More data for this Ligand-Target Pair