BDBM31010 4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-oxobutanoic acid methyl ester::4-[4-amino-6-(3,4-dimethylanilino)-s-triazin-2-yl]-3-keto-butyric acid methyl ester::MLS000036338::SMR000057972::cid_661099::methyl 4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2-yl]-3-oxobutanoate::methyl 4-[4-azanyl-6-[(3,4-dimethylphenyl)amino]-1,3,5-triazin-2-yl]-3-oxidanylidene-butanoate

SMILES: COC(=O)CC(=O)Cc1nc(N)nc(Nc2ccc(C)c(C)c2)n1

InChI Key: InChIKey=ODELWMUHUHJXGM-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 31010   

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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM31010 (4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2...) Show SMILES COC(=O)CC(=O)Cc1nc(N)nc(Nc2ccc(C)c(C)c2)n1 Show InChI InChI=1S/C16H19N5O3/c1-9-4-5-11(6-10(9)2)18-16-20-13(19-15(17)21-16)7-12(22)8-14(23)24-3/h4-6H,7-8H2,1-3H3,(H3,17,18,19,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	5.00E+4	n/a	n/a	7.4	23
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2WW7G03
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM31010 (4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2...) Show SMILES COC(=O)CC(=O)Cc1nc(N)nc(Nc2ccc(C)c(C)c2)n1 Show InChI InChI=1S/C16H19N5O3/c1-9-4-5-11(6-10(9)2)18-16-20-13(19-15(17)21-16)7-12(22)8-14(23)24-3/h4-6H,7-8H2,1-3H3,(H3,17,18,19,20,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description External Assay ID: S1P3_EC50_CS_5HT1e_Agonist Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2PN941W
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM31010 (4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2...) Show SMILES COC(=O)CC(=O)Cc1nc(N)nc(Nc2ccc(C)c(C)c2)n1 Show InChI InChI=1S/C16H19N5O3/c1-9-4-5-11(6-10(9)2)18-16-20-13(19-15(17)21-16)7-12(22)8-14(23)24-3/h4-6H,7-8H2,1-3H3,(H3,17,18,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	5.00E+4	n/a	n/a	7.4	23
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2Q52MZM
					More data for this Ligand-Target Pair