BDBM34513 MLS000118887::N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(3-keto-4,6-dimethyl-isothiazolo[5,4-b]pyridin-2-yl)acetamide::N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(4,6-dimethyl-3-oxidanylidene-[1,2]thiazolo[5,4-b]pyridin-2-yl)ethanamide::N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(4,6-dimethyl-3-oxo-2-isothiazolo[5,4-b]pyridinyl)acetamide::N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide::SMR000095827::US9011882, Table 1, Compound 15::cid_5309169

SMILES: COc1ccc(OC)c(CCNC(=O)Cn2sc3nc(C)cc(C)c3c2=O)c1

InChI Key: InChIKey=RYJAPIBOQYMFQJ-UHFFFAOYSA-N

Data: 4 IC50  5 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 9 hits for monomerid = 34513   

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
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM34513 (MLS000118887 | N-[2-(2,5-dimethoxyphenyl)ethyl]-2-...) Show SMILES COc1ccc(OC)c(CCNC(=O)Cn2sc3nc(C)cc(C)c3c2=O)c1 Show InChI InChI=1S/C20H23N3O4S/c1-12-9-13(2)22-19-18(12)20(25)23(28-19)11-17(24)21-8-7-14-10-15(26-3)5-6-16(14)27-4/h5-6,9-10H,7-8,11H2,1-4H3,(H,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.08E+3	n/a	n/a	n/a	n/a	8.0	23
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description A fluorescence resonance energy transfer assay is developed in 96-well and 384-well microplate formats with robotic manipulation to enable high-throu...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2H70D5W
					More data for this Ligand-Target Pair
RGS7 (Homo sapiens (Human))	BDBM34513 (MLS000118887 | N-[2-(2,5-dimethoxyphenyl)ethyl]-2-...) Show SMILES COc1ccc(OC)c(CCNC(=O)Cn2sc3nc(C)cc(C)c3c2=O)c1 Show InChI InChI=1S/C20H23N3O4S/c1-12-9-13(2)22-19-18(12)20(25)23(28-19)11-17(24)21-8-7-14-10-15(26-3)5-6-16(14)27-4/h5-6,9-10H,7-8,11H2,1-4H3,(H,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.06E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2PV6HS7
					More data for this Ligand-Target Pair
G protein signalling regulator 19 (Homo sapiens (Human))	BDBM34513 (MLS000118887 | N-[2-(2,5-dimethoxyphenyl)ethyl]-2-...) Show SMILES COc1ccc(OC)c(CCNC(=O)Cn2sc3nc(C)cc(C)c3c2=O)c1 Show InChI InChI=1S/C20H23N3O4S/c1-12-9-13(2)22-19-18(12)20(25)23(28-19)11-17(24)21-8-7-14-10-15(26-3)5-6-16(14)27-4/h5-6,9-10H,7-8,11H2,1-4H3,(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2K35S27
					More data for this Ligand-Target Pair
regulator of G-protein signalling 16 (Homo sapiens (Human))	BDBM34513 (MLS000118887 | N-[2-(2,5-dimethoxyphenyl)ethyl]-2-...) Show SMILES COc1ccc(OC)c(CCNC(=O)Cn2sc3nc(C)cc(C)c3c2=O)c1 Show InChI InChI=1S/C20H23N3O4S/c1-12-9-13(2)22-19-18(12)20(25)23(28-19)11-17(24)21-8-7-14-10-15(26-3)5-6-16(14)27-4/h5-6,9-10H,7-8,11H2,1-4H3,(H,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.76E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2FB51BW
					More data for this Ligand-Target Pair
Dimethylarginine dimethylaminohydrolase 1 (DDAH) (Homo sapiens (Human))	BDBM34513 (MLS000118887 | N-[2-(2,5-dimethoxyphenyl)ethyl]-2-...) Show SMILES COc1ccc(OC)c(CCNC(=O)Cn2sc3nc(C)cc(C)c3c2=O)c1 Show InChI InChI=1S/C20H23N3O4S/c1-12-9-13(2)22-19-18(12)20(25)23(28-19)11-17(24)21-8-7-14-10-15(26-3)5-6-16(14)27-4/h5-6,9-10H,7-8,11H2,1-4H3,(H,21,24)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Board of Trustees of the Leland Stanford Junior University US Patent					Assay Description The L-citrulline assay was based upon an original test-tube method developed by Prescott and Jones in 1969 (Prescott, L. M. & Jones, M. E. Modified m...				US Patent US9011882 (2015) BindingDB Entry DOI: 10.7270/Q2W957XP
					More data for this Ligand-Target Pair
regulator of G-protein signaling 4 (Homo sapiens (Human))	BDBM34513 (MLS000118887 | N-[2-(2,5-dimethoxyphenyl)ethyl]-2-...) Show SMILES COc1ccc(OC)c(CCNC(=O)Cn2sc3nc(C)cc(C)c3c2=O)c1 Show InChI InChI=1S/C20H23N3O4S/c1-12-9-13(2)22-19-18(12)20(25)23(28-19)11-17(24)21-8-7-14-10-15(26-3)5-6-16(14)27-4/h5-6,9-10H,7-8,11H2,1-4H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.58E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2F76B0G
					More data for this Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2 (Homo sapiens (Human))	BDBM34513 (MLS000118887 | N-[2-(2,5-dimethoxyphenyl)ethyl]-2-...) Show SMILES COc1ccc(OC)c(CCNC(=O)Cn2sc3nc(C)cc(C)c3c2=O)c1 Show InChI InChI=1S/C20H23N3O4S/c1-12-9-13(2)22-19-18(12)20(25)23(28-19)11-17(24)21-8-7-14-10-15(26-3)5-6-16(14)27-4/h5-6,9-10H,7-8,11H2,1-4H3,(H,21,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.66E+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
large T antigen (Simian virus 40)	BDBM34513 (MLS000118887 | N-[2-(2,5-dimethoxyphenyl)ethyl]-2-...) Show SMILES COc1ccc(OC)c(CCNC(=O)Cn2sc3nc(C)cc(C)c3c2=O)c1 Show InChI InChI=1S/C20H23N3O4S/c1-12-9-13(2)22-19-18(12)20(25)23(28-19)11-17(24)21-8-7-14-10-15(26-3)5-6-16(14)27-4/h5-6,9-10H,7-8,11H2,1-4H3,(H,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Specialized Biocontainment Screening Center Curated by PubChem BioAssay					Assay Description A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2M61HQ8
					More data for this Ligand-Target Pair
Regulator of G-protein signaling 8 (Homo sapiens (Human))	BDBM34513 (MLS000118887 | N-[2-(2,5-dimethoxyphenyl)ethyl]-2-...) Show SMILES COc1ccc(OC)c(CCNC(=O)Cn2sc3nc(C)cc(C)c3c2=O)c1 Show InChI InChI=1S/C20H23N3O4S/c1-12-9-13(2)22-19-18(12)20(25)23(28-19)11-17(24)21-8-7-14-10-15(26-3)5-6-16(14)27-4/h5-6,9-10H,7-8,11H2,1-4H3,(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.65E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2TM78JD
					More data for this Ligand-Target Pair