BDBM50369629 CHEMBL1790733

SMILES: OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12

InChI Key: InChIKey=VBGZTYNASPQLSI-QJPTWQEYSA-N

Data: 4 KI  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 5 hits for monomerid = 50369629   

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))	BDBM50369629 (CHEMBL1790733) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O3/c21-6-11-10(22)5-12(23-11)20-8-18-13-14(16-7-17-15(13)20)19-9-3-1-2-4-9/h7-12,21-22H,1-6H2,(H,16,17,19)/t10-,11+,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	212	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))	BDBM50369629 (CHEMBL1790733) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O3/c21-6-11-10(22)5-12(23-11)20-8-18-13-14(16-7-17-15(13)20)19-9-3-1-2-4-9/h7-12,21-22H,1-6H2,(H,16,17,19)/t10-,11+,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.87E+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 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))	BDBM50369629 (CHEMBL1790733) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O3/c21-6-11-10(22)5-12(23-11)20-8-18-13-14(16-7-17-15(13)20)19-9-3-1-2-4-9/h7-12,21-22H,1-6H2,(H,16,17,19)/t10-,11+,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.60E+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 receptor A1 (Rattus norvegicus (rat))	BDBM50369629 (CHEMBL1790733) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O3/c21-6-11-10(22)5-12(23-11)20-8-18-13-14(16-7-17-15(13)20)19-9-3-1-2-4-9/h7-12,21-22H,1-6H2,(H,16,17,19)/t10-,11+,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.02E+4	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
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50369629 (CHEMBL1790733) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O3/c21-6-11-10(22)5-12(23-11)20-8-18-13-14(16-7-17-15(13)20)19-9-3-1-2-4-9/h7-12,21-22H,1-6H2,(H,16,17,19)/t10-,11+,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	5.76E+3	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Stimulation of [35S]GTP-gamma-S, binding to rat brain membranes by adenosine A1 receptor activation				J Med Chem 43: 250-60 (2000) BindingDB Entry DOI: 10.7270/Q2930TW1
					More data for this Ligand-Target Pair