BDBM30831 MLS000055622::N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]quinoxalinyl)-4-fluorobenzamide::N-(1-butyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)-4-fluoranyl-benzamide::N-(1-butyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)-4-fluoro-benzamide::N-(1-butyl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)-4-fluorobenzamide::SMR000060157::US9045483, 13::cid_2323827

SMILES: CCCCn1c(NC(=O)c2ccc(F)cc2)c(C#N)c2nc3ccccc3nc12

InChI Key: InChIKey=IDHVGLAGCDWRFN-UHFFFAOYSA-N

Data: 2 IC50  2 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 4 hits for monomerid = 30831   

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))	BDBM30831 (MLS000055622 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...) Show SMILES CCCCn1c(NC(=O)c2ccc(F)cc2)c(C#N)c2nc3ccccc3nc12 Show InChI InChI=1S/C22H18FN5O/c1-2-3-12-28-20(27-22(29)14-8-10-15(23)11-9-14)16(13-24)19-21(28)26-18-7-5-4-6-17(18)25-19/h4-11H,2-3,12H2,1H3,(H,27,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.15E+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/Q21N7ZG0
					More data for this Ligand-Target Pair
SUMO-activating enzyme (Homo sapiens (Human))	BDBM30831 (MLS000055622 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...) Show SMILES CCCCn1c(NC(=O)c2ccc(F)cc2)c(C#N)c2nc3ccccc3nc12 Show InChI InChI=1S/C22H18FN5O/c1-2-3-12-28-20(27-22(29)14-8-10-15(23)11-9-14)16(13-24)19-21(28)26-18-7-5-4-6-17(18)25-19/h4-11H,2-3,12H2,1H3,(H,27,29)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
City of Hope; Sanford-Burnham Medical Research Institute US Patent					Assay Description Through the Molecular Library Probe Production Center Network (MLPCN), at least 300,000 compounds were screened using a TR-FRET method, an ALPHASCREE...				US Patent US9045483 (2015) BindingDB Entry DOI: 10.7270/Q20R9N48
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM30831 (MLS000055622 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...) Show SMILES CCCCn1c(NC(=O)c2ccc(F)cc2)c(C#N)c2nc3ccccc3nc12 Show InChI InChI=1S/C22H18FN5O/c1-2-3-12-28-20(27-22(29)14-8-10-15(23)11-9-14)16(13-24)19-21(28)26-18-7-5-4-6-17(18)25-19/h4-11H,2-3,12H2,1H3,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description The Cdc25B Phosphatase HTS dose response confirmation has been developed to confirm actives identified in the Cdc25B HTS AID 368, screened at the Uni...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2BG2MCP
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM30831 (MLS000055622 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...) Show SMILES CCCCn1c(NC(=O)c2ccc(F)cc2)c(C#N)c2nc3ccccc3nc12 Show InChI InChI=1S/C22H18FN5O/c1-2-3-12-28-20(27-22(29)14-8-10-15(23)11-9-14)16(13-24)19-21(28)26-18-7-5-4-6-17(18)25-19/h4-11H,2-3,12H2,1H3,(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>4.50E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Networ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2PZ576Z
					More data for this Ligand-Target Pair