BDBM50367694 CHEMBL603366

SMILES: OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3cccc(Cl)c3)c3cccc(Cl)c3)ncnc12

InChI Key: InChIKey=IGIQTLNTMYPXFO-BPOYXTRHSA-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 = 50367694   

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))	BDBM50367694 (CHEMBL603366) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3cccc(Cl)c3)c3cccc(Cl)c3)ncnc12 |r| Show InChI InChI=1S/C24H23Cl2N5O4/c25-15-5-1-3-13(7-15)17(14-4-2-6-16(26)8-14)9-27-22-19-23(29-11-28-22)31(12-30-19)24-21(34)20(33)18(10-32)35-24/h1-8,11-12,17-18,20-21,24,32-34H,9-10H2,(H,27,28,29)/t18-,20-,21-,24?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60	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 at adenosine A1 receptor from rat brain membranes by [3H]N6-cyclohexyladenosine displacement.				J Med Chem 31: 1282-5 (1988) BindingDB Entry DOI: 10.7270/Q2KK9CCN
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50367694 (CHEMBL603366) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3cccc(Cl)c3)c3cccc(Cl)c3)ncnc12 |r| Show InChI InChI=1S/C24H23Cl2N5O4/c25-15-5-1-3-13(7-15)17(14-4-2-6-16(26)8-14)9-27-22-19-23(29-11-28-22)31(12-30-19)24-21(34)20(33)18(10-32)35-24/h1-8,11-12,17-18,20-21,24,32-34H,9-10H2,(H,27,28,29)/t18-,20-,21-,24?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	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 at adenosine A2 receptor from rat striatal membranes by [3H]NECA displacement.				J Med Chem 31: 1282-5 (1988) BindingDB Entry DOI: 10.7270/Q2KK9CCN
					More data for this Ligand-Target Pair