BDBM50369632 CHEMBL1790716

SMILES: OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCCCC3)nc(Cl)nc12

InChI Key: InChIKey=JOAYOCQYPAGDGT-YNEHKIRRSA-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 = 50369632   

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))	BDBM50369632 (CHEMBL1790716) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCCCC3)nc(Cl)nc12 Show InChI InChI=1S/C17H24ClN5O3/c18-17-21-15(20-10-5-3-1-2-4-6-10)14-16(22-17)23(9-19-14)13-7-11(25)12(8-24)26-13/h9-13,24-25H,1-8H2,(H,20,21,22)/t11-,12+,13+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	369	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 for adenosine A1 receptor, was assessed from the ability to displace [3H]-DPCPX (without GTP) from rat cortical membranes.				J Med Chem 43: 250-60 (2000) BindingDB Entry DOI: 10.7270/Q2930TW1
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50369632 (CHEMBL1790716) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCCCC3)nc(Cl)nc12 Show InChI InChI=1S/C17H24ClN5O3/c18-17-21-15(20-10-5-3-1-2-4-6-10)14-16(22-17)23(9-19-14)13-7-11(25)12(8-24)26-13/h9-13,24-25H,1-8H2,(H,20,21,22)/t11-,12+,13+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.09E+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 Binding affinity for adenosine A1 receptor, was assessed from the ability to displace [3H]DPCPX (with 1 mM GTP) from rat cortical membranes.				J Med Chem 43: 250-60 (2000) BindingDB Entry DOI: 10.7270/Q2930TW1
					More data for this Ligand-Target Pair