BDBM50102295 4-(4-Formyl-5-hydroxy-6-methyl-3-phosphonooxymethyl-pyridin-2-ylazo)-benzoic acid::CHEMBL119235

SMILES: Cc1nc(N=Nc2ccc(cc2)C(O)=O)c(COP(O)(O)=O)c(C=O)c1O

InChI Key: InChIKey=NPBWMMRUXMTIRC-UHFFFAOYSA-N

Data: 10 IC50

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 10 hits for monomerid = 50102295   

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
P2Y purinoceptor 1 (Meleagris gallopavo)	BDBM50102295 (4-(4-Formyl-5-hydroxy-6-methyl-3-phosphonooxymethy...) Show SMILES Cc1nc(N=Nc2ccc(cc2)C(O)=O)c(COP(O)(O)=O)c(C=O)c1O |w:5.5| Show InChI InChI=1S/C15H14N3O8P/c1-8-13(20)11(6-19)12(7-26-27(23,24)25)14(16-8)18-17-10-4-2-9(3-5-10)15(21)22/h2-6,20H,7H2,1H3,(H,21,22)(H2,23,24,25)	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of 10 nM 2-MeSADP-stimulated phospholipase C in turkey erythrocyte membranes using [3H]-inositol				J Med Chem 44: 340-9 (2001) BindingDB Entry DOI: 10.7270/Q2FN15HC
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (RAT)	BDBM50102295 (4-(4-Formyl-5-hydroxy-6-methyl-3-phosphonooxymethy...) Show SMILES Cc1nc(N=Nc2ccc(cc2)C(O)=O)c(COP(O)(O)=O)c(C=O)c1O |w:5.5| Show InChI InChI=1S/C15H14N3O8P/c1-8-13(20)11(6-19)12(7-26-27(23,24)25)14(16-8)18-17-10-4-2-9(3-5-10)15(21)22/h2-6,20H,7H2,1H3,(H,21,22)(H2,23,24,25)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of inward ion current elicited by ATP at P2X1 receptor expressed in Xenopus oocytes				J Med Chem 44: 340-9 (2001) BindingDB Entry DOI: 10.7270/Q2FN15HC
					More data for this Ligand-Target Pair
Purinergic, P2X2 (RAT)	BDBM50102295 (4-(4-Formyl-5-hydroxy-6-methyl-3-phosphonooxymethy...) Show SMILES Cc1nc(N=Nc2ccc(cc2)C(O)=O)c(COP(O)(O)=O)c(C=O)c1O |w:5.5| Show InChI InChI=1S/C15H14N3O8P/c1-8-13(20)11(6-19)12(7-26-27(23,24)25)14(16-8)18-17-10-4-2-9(3-5-10)15(21)22/h2-6,20H,7H2,1H3,(H,21,22)(H2,23,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of inward ion current elicited by ATP at P2X2 receptor expressed in Xenopus oocytes				J Med Chem 44: 340-9 (2001) BindingDB Entry DOI: 10.7270/Q2FN15HC
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM50102295 (4-(4-Formyl-5-hydroxy-6-methyl-3-phosphonooxymethy...) Show SMILES Cc1nc(N=Nc2ccc(cc2)C(O)=O)c(COP(O)(O)=O)c(C=O)c1O |w:5.5| Show InChI InChI=1S/C15H14N3O8P/c1-8-13(20)11(6-19)12(7-26-27(23,24)25)14(16-8)18-17-10-4-2-9(3-5-10)15(21)22/h2-6,20H,7H2,1H3,(H,21,22)(H2,23,24,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of inward ion current elicited by ATP was determined at recombinant P2X3 receptor expressed in Xenopus oocytes				J Med Chem 44: 340-9 (2001) BindingDB Entry DOI: 10.7270/Q2FN15HC
					More data for this Ligand-Target Pair
14-3-3 protein zeta/delta (Homo sapiens)	BDBM50102295 (4-(4-Formyl-5-hydroxy-6-methyl-3-phosphonooxymethy...) Show SMILES Cc1nc(N=Nc2ccc(cc2)C(O)=O)c(COP(O)(O)=O)c(C=O)c1O |w:5.5| Show InChI InChI=1S/C15H14N3O8P/c1-8-13(20)11(6-19)12(7-26-27(23,24)25)14(16-8)18-17-10-4-2-9(3-5-10)15(21)22/h2-6,20H,7H2,1H3,(H,21,22)(H2,23,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eindhoven University of Technology Curated by ChEMBL					Assay Description Binding affinity to GST-tagged 14-3-3-zeta (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of interaction with PRAS40...				J Med Chem 61: 3755-3778 (2018) Article DOI: 10.1021/acs.jmedchem.7b00574 BindingDB Entry DOI: 10.7270/Q2RB7781
					More data for this Ligand-Target Pair				3D Structure (crystal)
P2X purinoceptor 1 (Mus musculus)	BDBM50102295 (4-(4-Formyl-5-hydroxy-6-methyl-3-phosphonooxymethy...) Show SMILES Cc1nc(N=Nc2ccc(cc2)C(O)=O)c(COP(O)(O)=O)c(C=O)c1O |w:5.5| Show InChI InChI=1S/C15H14N3O8P/c1-8-13(20)11(6-19)12(7-26-27(23,24)25)14(16-8)18-17-10-4-2-9(3-5-10)15(21)22/h2-6,20H,7H2,1H3,(H,21,22)(H2,23,24,25)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at recombinant mouse P2X1 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated fo...				Eur J Med Chem 70: 811-30 (2013) Article DOI: 10.1016/j.ejmech.2013.10.026 BindingDB Entry DOI: 10.7270/Q2M61MQH
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50102295 (4-(4-Formyl-5-hydroxy-6-methyl-3-phosphonooxymethy...) Show SMILES Cc1nc(N=Nc2ccc(cc2)C(O)=O)c(COP(O)(O)=O)c(C=O)c1O |w:5.5| Show InChI InChI=1S/C15H14N3O8P/c1-8-13(20)11(6-19)12(7-26-27(23,24)25)14(16-8)18-17-10-4-2-9(3-5-10)15(21)22/h2-6,20H,7H2,1H3,(H,21,22)(H2,23,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor (unknown origin)				Bioorg Med Chem 21: 2643-50 (2013) Article DOI: 10.1016/j.bmc.2013.01.073 BindingDB Entry DOI: 10.7270/Q2DF6SK7
					More data for this Ligand-Target Pair
14-3-3 protein zeta/delta (Homo sapiens)	BDBM50102295 (4-(4-Formyl-5-hydroxy-6-methyl-3-phosphonooxymethy...) Show SMILES Cc1nc(N=Nc2ccc(cc2)C(O)=O)c(COP(O)(O)=O)c(C=O)c1O |w:5.5| Show InChI InChI=1S/C15H14N3O8P/c1-8-13(20)11(6-19)12(7-26-27(23,24)25)14(16-8)18-17-10-4-2-9(3-5-10)15(21)22/h2-6,20H,7H2,1H3,(H,21,22)(H2,23,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universit£t Curated by ChEMBL					Assay Description Inhibition of PRAS40 binding to human GST-tagged 14-3-3 protein zeta/delta expressed in Escherichia coli BL21(DE3) by ELISA				J Med Chem 61: 1276-1284 (2018) BindingDB Entry DOI: 10.7270/Q2B27XQN
					More data for this Ligand-Target Pair				3D Structure (crystal)
tyrosine 3-monooxygenase/tryptophan 5-monooxygenase activation protein, gamma polypeptide (Homo sapiens (Human))	BDBM50102295 (4-(4-Formyl-5-hydroxy-6-methyl-3-phosphonooxymethy...) Show SMILES Cc1nc(N=Nc2ccc(cc2)C(O)=O)c(COP(O)(O)=O)c(C=O)c1O |w:5.5| Show InChI InChI=1S/C15H14N3O8P/c1-8-13(20)11(6-19)12(7-26-27(23,24)25)14(16-8)18-17-10-4-2-9(3-5-10)15(21)22/h2-6,20H,7H2,1H3,(H,21,22)(H2,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
Eindhoven University of Technology Curated by ChEMBL					Assay Description Binding affinity to GST-tagged 14-3-3-gamma (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of interaction with PRAS4...				J Med Chem 61: 3755-3778 (2018) Article DOI: 10.1021/acs.jmedchem.7b00574 BindingDB Entry DOI: 10.7270/Q2RB7781
					More data for this Ligand-Target Pair
P2X purinoceptor 1 (RAT)	BDBM50102295 (4-(4-Formyl-5-hydroxy-6-methyl-3-phosphonooxymethy...) Show SMILES Cc1nc(N=Nc2ccc(cc2)C(O)=O)c(COP(O)(O)=O)c(C=O)c1O |w:5.5| Show InChI InChI=1S/C15H14N3O8P/c1-8-13(20)11(6-19)12(7-26-27(23,24)25)14(16-8)18-17-10-4-2-9(3-5-10)15(21)22/h2-6,20H,7H2,1H3,(H,21,22)(H2,23,24,25)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at recombinant rat P2X1 receptor expressed in Xenopus oocytes assessed as ion flux stimulation				Eur J Med Chem 70: 811-30 (2013) Article DOI: 10.1016/j.ejmech.2013.10.026 BindingDB Entry DOI: 10.7270/Q2M61MQH
					More data for this Ligand-Target Pair