BDBM50367681 CHEMBL606016

SMILES: CC(Cc1ccccc1)Nc1ccnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O

InChI Key: InChIKey=VNLORGGVQXIXRL-PBAUSWOHSA-N

Data: 2 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 4 hits for monomerid = 50367681   

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 (Rattus norvegicus (rat))	BDBM50367681 (CHEMBL606016) Show SMILES CC(Cc1ccccc1)Nc1ccnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H24N4O4/c1-12(9-13-5-3-2-4-6-13)23-14-7-8-21-19-16(14)22-11-24(19)20-18(27)17(26)15(10-25)28-20/h2-8,11-12,15,17-18,20,25-27H,9-10H2,1H3,(H,21,23)/t12?,15-,17-,18-,20?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Inhibition of Adenylate cyclase activity in rat fat cell membrane at adenosine A1 receptor				J Med Chem 31: 1179-83 (1988) BindingDB Entry DOI: 10.7270/Q2QC042G
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50367681 (CHEMBL606016) Show SMILES CC(Cc1ccccc1)Nc1ccnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H24N4O4/c1-12(9-13-5-3-2-4-6-13)23-14-7-8-21-19-16(14)22-11-24(19)20-18(27)17(26)15(10-25)28-20/h2-8,11-12,15,17-18,20,25-27H,9-10H2,1H3,(H,21,23)/t12?,15-,17-,18-,20?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]PIA from adenosine A1 receptor of rat brain membranes				J Med Chem 31: 1179-83 (1988) BindingDB Entry DOI: 10.7270/Q2QC042G
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50367681 (CHEMBL606016) Show SMILES CC(Cc1ccccc1)Nc1ccnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H24N4O4/c1-12(9-13-5-3-2-4-6-13)23-14-7-8-21-19-16(14)22-11-24(19)20-18(27)17(26)15(10-25)28-20/h2-8,11-12,15,17-18,20,25-27H,9-10H2,1H3,(H,21,23)/t12?,15-,17-,18-,20?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Inhibition of Adenylate cyclase activity in rat fat cell membrane at adenosine A1 receptor				J Med Chem 31: 1179-83 (1988) BindingDB Entry DOI: 10.7270/Q2QC042G
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Homo sapiens (Human))	BDBM50367681 (CHEMBL606016) Show SMILES CC(Cc1ccccc1)Nc1ccnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H24N4O4/c1-12(9-13-5-3-2-4-6-13)23-14-7-8-21-19-16(14)22-11-24(19)20-18(27)17(26)15(10-25)28-20/h2-8,11-12,15,17-18,20,25-27H,9-10H2,1H3,(H,21,23)/t12?,15-,17-,18-,20?/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	6.60E+3	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Stimulation of adenylate cyclase activity in human platelet membrane at A2 receptor				J Med Chem 31: 1179-83 (1988) BindingDB Entry DOI: 10.7270/Q2QC042G
					More data for this Ligand-Target Pair