BDBM50368212 CHEMBL2235590::CHEMBL604147

SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCc4ccccc4C3)ncnc12

InChI Key: InChIKey=WZOCITDKIJDZHG-RXHHNXKZSA-N

Data: 2 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 2 hits for monomerid = 50368212   

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))	BDBM50368212 (CHEMBL2235590 | CHEMBL604147) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCc4ccccc4C3)ncnc12 |r| Show InChI InChI=1S/C21H25N5O4/c27-9-15-17(28)18(29)21(30-15)26-11-24-16-19(22-10-23-20(16)26)25-14-7-3-6-12-4-1-2-5-13(12)8-14/h1-2,4-5,10-11,14-15,17-18,21,27-29H,3,6-9H2,(H,22,23,25)/t14?,15-,17-,18-,21?/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
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor				J Med Chem 34: 1043-9 (1991) BindingDB Entry DOI: 10.7270/Q2HT2PW7
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50368212 (CHEMBL2235590 | CHEMBL604147) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCc4ccccc4C3)ncnc12 |r| Show InChI InChI=1S/C21H25N5O4/c27-9-15-17(28)18(29)21(30-15)26-11-24-16-19(22-10-23-20(16)26)25-14-7-3-6-12-4-1-2-5-13(12)8-14/h1-2,4-5,10-11,14-15,17-18,21,27-29H,3,6-9H2,(H,22,23,25)/t14?,15-,17-,18-,21?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity towards adenosine A2 receptor				J Med Chem 34: 1043-9 (1991) BindingDB Entry DOI: 10.7270/Q2HT2PW7
					More data for this Ligand-Target Pair