BDBM50049387 5,4'-Dihydroxy-7-o-methoxyflavanone::5-Hydroxy-2-(4-hydroxy-phenyl)-7-methoxy-chroman-4-one::5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychroman-4-one::CHEMBL74852::NSC-407228

SMILES: COc1cc(O)c2C(=O)CC(Oc2c1)c1ccc(O)cc1

InChI Key: InChIKey=DJOJDHGQRNZXQQ-UHFFFAOYSA-N

Data: 8 KI

PDB links: 1 PDB ID matches this monomer.

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 8 hits for monomerid = 50049387   

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 A3 (Homo sapiens (Human))	BDBM50049387 (5,4'-Dihydroxy-7-o-methoxyflavanone | 5-Hydroxy-2-...) Show SMILES COc1cc(O)c2C(=O)CC(Oc2c1)c1ccc(O)cc1 Show InChI InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.39E+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 Ability to displace [125I]-AB-MECA binding from adenosine A3 receptor.				J Med Chem 41: 46-52 (1998) Checked by Author Article DOI: 10.1021/jm970446z BindingDB Entry DOI: 10.7270/Q2NC62QT
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50049387 (5,4'-Dihydroxy-7-o-methoxyflavanone | 5-Hydroxy-2-...) Show SMILES COc1cc(O)c2C(=O)CC(Oc2c1)c1ccc(O)cc1 Show InChI InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.40E+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 binding to human Adenosine A3 receptor expressed in HEK-293 cells				J Med Chem 39: 781-8 (1996) Article DOI: 10.1021/jm950661k BindingDB Entry DOI: 10.7270/Q2M32TV4
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50049387 (5,4'-Dihydroxy-7-o-methoxyflavanone | 5-Hydroxy-2-...) Show SMILES COc1cc(O)c2C(=O)CC(Oc2c1)c1ccc(O)cc1 Show InChI InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.40E+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 Binding affinity against human adenosine A3 receptor in HEK293 cells using [125I]-AB-MECA 21680 radioligand.				J Med Chem 39: 2293-301 (1996) Article DOI: 10.1021/jm950923i BindingDB Entry DOI: 10.7270/Q2D799J2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50049387 (5,4'-Dihydroxy-7-o-methoxyflavanone | 5-Hydroxy-2-...) Show SMILES COc1cc(O)c2C(=O)CC(Oc2c1)c1ccc(O)cc1 Show InChI InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.13E+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 Ability to displace [3H]N6-phenylisopropyladenosine binding from adenosine A1 receptor.				J Med Chem 41: 46-52 (1998) Checked by Author Article DOI: 10.1021/jm970446z BindingDB Entry DOI: 10.7270/Q2NC62QT
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50049387 (5,4'-Dihydroxy-7-o-methoxyflavanone | 5-Hydroxy-2-...) Show SMILES COc1cc(O)c2C(=O)CC(Oc2c1)c1ccc(O)cc1 Show InChI InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.18E+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 Binding affinity at Adenosine A1 receptor in rat brain membranes by [3H]-PIA displacement.				J Med Chem 39: 2293-301 (1996) Article DOI: 10.1021/jm950923i BindingDB Entry DOI: 10.7270/Q2D799J2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50049387 (5,4'-Dihydroxy-7-o-methoxyflavanone | 5-Hydroxy-2-...) Show SMILES COc1cc(O)c2C(=O)CC(Oc2c1)c1ccc(O)cc1 Show InChI InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.18E+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 specific [3H]-PIA binding from adenosine A1 receptor in rat brain membranes.				J Med Chem 39: 781-8 (1996) Article DOI: 10.1021/jm950661k BindingDB Entry DOI: 10.7270/Q2M32TV4
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50049387 (5,4'-Dihydroxy-7-o-methoxyflavanone | 5-Hydroxy-2-...) Show SMILES COc1cc(O)c2C(=O)CC(Oc2c1)c1ccc(O)cc1 Show InChI InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.55E+4	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 Ability to displace [3H]-CGS- 21680 binding from adenosine A2A receptor.				J Med Chem 41: 46-52 (1998) Checked by Author Article DOI: 10.1021/jm970446z BindingDB Entry DOI: 10.7270/Q2NC62QT
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50049387 (5,4'-Dihydroxy-7-o-methoxyflavanone | 5-Hydroxy-2-...) Show SMILES COc1cc(O)c2C(=O)CC(Oc2c1)c1ccc(O)cc1 Show InChI InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.56E+4	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 Affinity at Adenosine A2A receptor in rat striatal membranes by [3H]- CGS 21680 displacement.				J Med Chem 39: 781-8 (1996) Article DOI: 10.1021/jm950661k BindingDB Entry DOI: 10.7270/Q2M32TV4
					More data for this Ligand-Target Pair