BDBM81199 (Z)-but-2-enedioate;ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-3-yl]carbamate::(Z)-but-2-enedioate;ethyl N-[2-azanyl-6-[(4-fluorophenyl)methylamino]pyridin-3-yl]carbamate::Flupirtine maleate::MLS002153180::N-[2-amino-6-[(4-fluorobenzyl)amino]-3-pyridyl]carbamic acid ethyl ester;maleate::N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamic acid ethyl ester;(Z)-2-butenedioate::SMR001230672::cid_25162978

SMILES: CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N

InChI Key: InChIKey=JUUFBMODXQKSTD-UHFFFAOYSA-N

Data: 8 IC50  1 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 = 81199   

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
Caspase-9 (Homo sapiens (Human))	BDBM81199 ((Z)-but-2-enedioate;ethyl N-[2-amino-6-[(4-fluorop...) Show SMILES CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N Show InChI InChI=1S/C15H17FN4O2/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem	PCBioAssay	n/a	n/a	7.57E+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 (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q25M647F
					More data for this Ligand-Target Pair
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM81199 ((Z)-but-2-enedioate;ethyl N-[2-amino-6-[(4-fluorop...) Show SMILES CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N Show InChI InChI=1S/C15H17FN4O2/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.66E+4	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 (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2JS9NZB
					More data for this Ligand-Target Pair
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM81199 ((Z)-but-2-enedioate;ethyl N-[2-amino-6-[(4-fluorop...) Show SMILES CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N Show InChI InChI=1S/C15H17FN4O2/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>1.00E+5	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 (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2F18X8S
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM81199 ((Z)-but-2-enedioate;ethyl N-[2-amino-6-[(4-fluorop...) Show SMILES CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N Show InChI InChI=1S/C15H17FN4O2/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...				Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN
					More data for this Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2/Kv7.3 (Homo sapiens (Human))	BDBM81199 ((Z)-but-2-enedioate;ethyl N-[2-amino-6-[(4-fluorop...) Show SMILES CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N Show InChI InChI=1S/C15H17FN4O2/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	560	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Agonist activity at human KCNQ2/3 expressed in HEK293 cells by FLIPR based thallium influx assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.007
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM81199 ((Z)-but-2-enedioate;ethyl N-[2-amino-6-[(4-fluorop...) Show SMILES CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N Show InChI InChI=1S/C15H17FN4O2/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem	PubMed	n/a	n/a	3.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human))	BDBM81199 ((Z)-but-2-enedioate;ethyl N-[2-amino-6-[(4-fluorop...) Show SMILES CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N Show InChI InChI=1S/C15H17FN4O2/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 4 (Homo sapiens (Human))	BDBM81199 ((Z)-but-2-enedioate;ethyl N-[2-amino-6-[(4-fluorop...) Show SMILES CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N Show InChI InChI=1S/C15H17FN4O2/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human))	BDBM81199 ((Z)-but-2-enedioate;ethyl N-[2-amino-6-[(4-fluorop...) Show SMILES CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N Show InChI InChI=1S/C15H17FN4O2/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair