BDBM51786 3-[((2Z)-5-[(acetyloxy)methyl]-3-{[(2,4-dimethoxyphenyl)amino]carbonyl}-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene)amino]benzoic acid::3-[[5-(acetoxymethyl)-3-[(2,4-dimethoxyphenyl)carbamoyl]-8-methyl-pyrano[2,3-c]pyridin-2-ylidene]amino]benzoic acid::3-[[5-(acetyloxymethyl)-3-[(2,4-dimethoxyanilino)-oxomethyl]-8-methyl-2-pyrano[2,3-c]pyridinylidene]amino]benzoic acid::3-[[5-(acetyloxymethyl)-3-[(2,4-dimethoxyphenyl)carbamoyl]-8-methyl-pyrano[2,3-c]pyridin-2-ylidene]amino]benzoic acid::3-[[5-(acetyloxymethyl)-3-[(2,4-dimethoxyphenyl)carbamoyl]-8-methylpyrano[2,3-c]pyridin-2-ylidene]amino]benzoic acid::MLS001201165::SMR000564168::cid_4413344

SMILES: COc1ccc(NC(=O)c2cc3c(COC(C)=O)cnc(C)c3o\c2=N/c2cccc(c2)C(O)=O)c(OC)c1

InChI Key: InChIKey=CILJAWYPIOKZCS-IKPAITLHSA-N

Data: 4 IC50

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 4 hits for monomerid = 51786   

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
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM51786 (3-[((2Z)-5-[(acetyloxy)methyl]-3-{[(2,4-dimethoxyp...) Show SMILES COc1ccc(NC(=O)c2cc3c(COC(C)=O)cnc(C)c3o\c2=N/c2cccc(c2)C(O)=O)c(OC)c1 Show InChI InChI=1S/C28H25N3O8/c1-15-25-21(18(13-29-15)14-38-16(2)32)12-22(26(33)31-23-9-8-20(36-3)11-24(23)37-4)27(39-25)30-19-7-5-6-17(10-19)28(34)35/h5-13H,14H2,1-4H3,(H,31,33)(H,34,35)/b30-27-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q29G5K79
					More data for this Ligand-Target Pair
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1 (Homo sapiens (Human))	BDBM51786 (3-[((2Z)-5-[(acetyloxy)methyl]-3-{[(2,4-dimethoxyp...) Show SMILES COc1ccc(NC(=O)c2cc3c(COC(C)=O)cnc(C)c3o\c2=N/c2cccc(c2)C(O)=O)c(OC)c1 Show InChI InChI=1S/C28H25N3O8/c1-15-25-21(18(13-29-15)14-38-16(2)32)12-22(26(33)31-23-9-8-20(36-3)11-24(23)37-4)27(39-25)30-19-7-5-6-17(10-19)28(34)35/h5-13H,14H2,1-4H3,(H,31,33)(H,34,35)/b30-27-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	737	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2V986KM
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM51786 (3-[((2Z)-5-[(acetyloxy)methyl]-3-{[(2,4-dimethoxyp...) Show SMILES COc1ccc(NC(=O)c2cc3c(COC(C)=O)cnc(C)c3o\c2=N/c2cccc(c2)C(O)=O)c(OC)c1 Show InChI InChI=1S/C28H25N3O8/c1-15-25-21(18(13-29-15)14-38-16(2)32)12-22(26(33)31-23-9-8-20(36-3)11-24(23)37-4)27(39-25)30-19-7-5-6-17(10-19)28(34)35/h5-13H,14H2,1-4H3,(H,31,33)(H,34,35)/b30-27-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2445JXV
					More data for this Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2 (Homo sapiens (Human))	BDBM51786 (3-[((2Z)-5-[(acetyloxy)methyl]-3-{[(2,4-dimethoxyp...) Show SMILES COc1ccc(NC(=O)c2cc3c(COC(C)=O)cnc(C)c3o\c2=N/c2cccc(c2)C(O)=O)c(OC)c1 Show InChI InChI=1S/C28H25N3O8/c1-15-25-21(18(13-29-15)14-38-16(2)32)12-22(26(33)31-23-9-8-20(36-3)11-24(23)37-4)27(39-25)30-19-7-5-6-17(10-19)28(34)35/h5-13H,14H2,1-4H3,(H,31,33)(H,34,35)/b30-27-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2PZ578V
					More data for this Ligand-Target Pair