Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 425.4 BDBM67914

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67914 (1-(6-Fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)...) Show SMILES CC1CCc2cc(F)ccc2N1C(=O)CSc1nnc2c(n1)[nH]c1ccc(F)cc21 Show InChI InChI=1S/C21H17F2N5OS/c1-11-2-3-12-8-13(22)5-7-17(12)28(11)18(29)10-30-21-25-20-19(26-27-21)15-9-14(23)4-6-16(15)24-20/h4-9,11H,2-3,10H2,1H3,(H,24,25,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	9.53E+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: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67914 (1-(6-Fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)...) Show SMILES CC1CCc2cc(F)ccc2N1C(=O)CSc1nnc2c(n1)[nH]c1ccc(F)cc21 Show InChI InChI=1S/C21H17F2N5OS/c1-11-2-3-12-8-13(22)5-7-17(12)28(11)18(29)10-30-21-25-20-19(26-27-21)15-9-14(23)4-6-16(15)24-20/h4-9,11H,2-3,10H2,1H3,(H,24,25,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	9.53E+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: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TQN
					More data for this Ligand-Target Pair
X-box-binding protein 1 (Homo sapiens (Human))	BDBM67914 (1-(6-Fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)...) Show SMILES CC1CCc2cc(F)ccc2N1C(=O)CSc1nnc2c(n1)[nH]c1ccc(F)cc21 Show InChI InChI=1S/C21H17F2N5OS/c1-11-2-3-12-8-13(22)5-7-17(12)28(11)18(29)10-30-21-25-20-19(26-27-21)15-9-14(23)4-6-16(15)24-20/h4-9,11H,2-3,10H2,1H3,(H,24,25,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.00E+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: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CGB
					More data for this Ligand-Target Pair