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SMILES: Fc1ccc(cc1)C(=O)Nc1ccc2c(C#N)c3nc4ccccc4nc3n2c1

InChI Key: InChIKey=SGKCULACOSUZRC-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 47597   

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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM47597 (MLS000591719 | N-(12-Cyano-indolizino[2,3-b]quinox...) Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2c(C#N)c3nc4ccccc4nc3n2c1 Show InChI InChI=1S/C22H12FN5O/c23-14-7-5-13(6-8-14)22(29)25-15-9-10-19-16(11-24)20-21(28(19)12-15)27-18-4-2-1-3-17(18)26-20/h1-10,12H,(H,25,29)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q23X8539
					More data for this Ligand-Target Pair
Glutathione S-transferase Mu 1 (Homo sapiens (Human))	BDBM47597 (MLS000591719 | N-(12-Cyano-indolizino[2,3-b]quinox...) Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2c(C#N)c3nc4ccccc4nc3n2c1 Show InChI InChI=1S/C22H12FN5O/c23-14-7-5-13(6-8-14)22(29)25-15-9-10-19-16(11-24)20-21(28(19)12-15)27-18-4-2-1-3-17(18)26-20/h1-10,12H,(H,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	950	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-re...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZC8184
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1 (Homo sapiens (Human))	BDBM47597 (MLS000591719 | N-(12-Cyano-indolizino[2,3-b]quinox...) Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2c(C#N)c3nc4ccccc4nc3n2c1 Show InChI InChI=1S/C22H12FN5O/c23-14-7-5-13(6-8-14)22(29)25-15-9-10-19-16(11-24)20-21(28(19)12-15)27-18-4-2-1-3-17(18)26-20/h1-10,12H,(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.96E+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 (2010) BindingDB Entry DOI: 10.7270/Q2BP0175
					More data for this Ligand-Target Pair
SUMO-conjugating enzyme UBC9 (Homo sapiens (Human))	BDBM47597 (MLS000591719 | N-(12-Cyano-indolizino[2,3-b]quinox...) Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2c(C#N)c3nc4ccccc4nc3n2c1 Show InChI InChI=1S/C22H12FN5O/c23-14-7-5-13(6-8-14)22(29)25-15-9-10-19-16(11-24)20-21(28(19)12-15)27-18-4-2-1-3-17(18)26-20/h1-10,12H,(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.80E+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 (2010) BindingDB Entry DOI: 10.7270/Q2V986G8
					More data for this Ligand-Target Pair
Neutrophil cytosol factor 1 [S99G] (Homo sapiens (Human))	BDBM47597 (MLS000591719 | N-(12-Cyano-indolizino[2,3-b]quinox...) Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2c(C#N)c3nc4ccccc4nc3n2c1 Show InChI InChI=1S/C22H12FN5O/c23-14-7-5-13(6-8-14)22(29)25-15-9-10-19-16(11-24)20-21(28(19)12-15)27-18-4-2-1-3-17(18)26-20/h1-10,12H,(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2M90723
					More data for this Ligand-Target Pair
Glycoprotein 42 (Human herpesvirus 4 type 2)	BDBM47597 (MLS000591719 | N-(12-Cyano-indolizino[2,3-b]quinox...) Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2c(C#N)c3nc4ccccc4nc3n2c1 Show InChI InChI=1S/C22H12FN5O/c23-14-7-5-13(6-8-14)22(29)25-15-9-10-19-16(11-24)20-21(28(19)12-15)27-18-4-2-1-3-17(18)26-20/h1-10,12H,(H,25,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2057DCW
					More data for this Ligand-Target Pair