BindingDB PrimarySearch

BDBM82558 CAS_163889::CHEMBL355370::I-ABOPX::NSC_163889

SMILES: CCCn1c(=O)n(Cc2ccc(N)c(I)c2)c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1

InChI Key: InChIKey=DKJMGIXWGPEEFF-UHFFFAOYSA-N

Data: 10 KI 2 IC50 2 Kd

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 82558
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Adenosine receptor A3 (Homo sapiens (Human))	BDBM82558 (CAS_163889 \| CHEMBL355370 \| I-ABOPX \| NSC_163889) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by PDSP K_i Database									Mol Pharmacol 56: 705-13 (1999) Article DOI: 10.1016/j.bioorg.2015.09.009 BindingDB Entry DOI: 10.7270/Q2M9077B
University of Virginia Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM82558 (CAS_163889 \| CHEMBL355370 \| I-ABOPX \| NSC_163889) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by PDSP K_i Database									Proc Natl Acad Sci U S A 90: 10365-9 (1993) Article DOI: 10.1073/pnas.90.21.10365 BindingDB Entry DOI: 10.7270/Q24Q7SH0
Merck Research Laboratories Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM82558 (CAS_163889 \| CHEMBL355370 \| I-ABOPX \| NSC_163889) Show SMILES Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by PDSP K_i Database									Mol Pharmacol 56: 705-13 (1999) Article DOI: 10.1016/j.bioorg.2015.09.009 BindingDB Entry DOI: 10.7270/Q2M9077B
University of Virginia Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM82558 (CAS_163889 \| CHEMBL355370 \| I-ABOPX \| NSC_163889) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [3H]-PIA from adenosine A1 receptors of rat brain membrane				J Med Chem 37: 3373-82 (1994) BindingDB Entry DOI: 10.7270/Q28914WW
National Institute of Diabetes Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM82558 (CAS_163889 \| CHEMBL355370 \| I-ABOPX \| NSC_163889) Show SMILES Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by PDSP K_i Database									Mol Pharmacol 56: 705-13 (1999) Article DOI: 10.1016/j.bioorg.2015.09.009 BindingDB Entry DOI: 10.7270/Q2M9077B
University of Virginia Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM82558 (CAS_163889 \| CHEMBL355370 \| I-ABOPX \| NSC_163889) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by PDSP K_i Database									Mol Pharmacol 56: 705-13 (1999) Article DOI: 10.1016/j.bioorg.2015.09.009 BindingDB Entry DOI: 10.7270/Q2M9077B
University of Virginia Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM82558 (CAS_163889 \| CHEMBL355370 \| I-ABOPX \| NSC_163889) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by PDSP K_i Database									Mol Pharmacol 56: 705-13 (1999) Article DOI: 10.1016/j.bioorg.2015.09.009 BindingDB Entry DOI: 10.7270/Q2M9077B
University of Virginia Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM82558 (CAS_163889 \| CHEMBL355370 \| I-ABOPX \| NSC_163889) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [3H]-CGS- 21680 from adenosine A2a receptors of rat striatal membrane				J Med Chem 37: 3373-82 (1994) BindingDB Entry DOI: 10.7270/Q28914WW
National Institute of Diabetes Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine A2 receptor (Homo sapiens (Human))	BDBM82558 (CAS_163889 \| CHEMBL355370 \| I-ABOPX \| NSC_163889) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia School of Medicine Curated by ChEMBL					Assay Description Binding affinity to adenosine A1 receptor of rat brain membranes without NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding				J Med Chem 31: 745-51 (1988) BindingDB Entry DOI: 10.7270/Q2D21Z57
					More data for this Ligand-Target Pair
Adenosine receptor A2a and A3 (Rattus norvegicus)	BDBM82558 (CAS_163889 \| CHEMBL355370 \| I-ABOPX \| NSC_163889) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [125I]-AB-MECA from membranes of CHO cells stably transfected with the rat adenosine A3 receptor cDNA				J Med Chem 37: 3373-82 (1994) BindingDB Entry DOI: 10.7270/Q28914WW
National Institute of Diabetes Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM82558 (CAS_163889 \| CHEMBL355370 \| I-ABOPX \| NSC_163889) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a
University of Virginia School of Medicine Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor in rat brain membrane(KD)				J Med Chem 31: 752-6 (1988) BindingDB Entry DOI: 10.7270/Q28916FW
					More data for this Ligand-Target Pair
Adenosine A1 receptor (BOVINE)	BDBM82558 (CAS_163889 \| CHEMBL355370 \| I-ABOPX \| NSC_163889) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a
University of Virginia School of Medicine Curated by ChEMBL					Assay Description Displacement of [125-I]-labeled aminobenzyl adenosine binding to adenosine A1 receptor of bovine brain membranes				J Med Chem 31: 745-51 (1988) BindingDB Entry DOI: 10.7270/Q2D21Z57
					More data for this Ligand-Target Pair
Adenosine receptor (Rattus norvegicus (rat))	BDBM82558 (CAS_163889 \| CHEMBL355370 \| I-ABOPX \| NSC_163889) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia School of Medicine Curated by ChEMBL					Assay Description Binding affinity to adenosine A1 receptor of rat brain membranes with 1 M NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding				J Med Chem 31: 745-51 (1988) BindingDB Entry DOI: 10.7270/Q2D21Z57
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM82558 (CAS_163889 \| CHEMBL355370 \| I-ABOPX \| NSC_163889) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia School of Medicine Curated by ChEMBL					Assay Description Binding affinity to adenosine A1 receptor of rat brain membranes with 1 M NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding				J Med Chem 31: 745-51 (1988) BindingDB Entry DOI: 10.7270/Q2D21Z57
					More data for this Ligand-Target Pair