BDBM32026 6-quinolinamine::6-quinolylamine::MLS000080747::SMR000036663::cid_11373::quinolin-6-amine

SMILES: Nc1ccc2ncccc2c1

InChI Key: InChIKey=RJSRSRITMWVIQT-UHFFFAOYSA-N

Data: 1 KI  3 IC50  2 EC50

PDB links: 1 PDB ID matches this monomer. 12 PDB IDs contain this monomer as substructures. 12 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 6 hits for monomerid = 32026   

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
Neutrophil cytosol factor 1 (Homo sapiens)	BDBM32026 (6-quinolinamine | 6-quinolylamine | MLS000080747 |...) Show SMILES Nc1ccc2ncccc2c1 Show InChI InChI=1S/C9H8N2/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Covalent inhibition of recombinant human His-tagged p47phox SH3A-B domain (151 to 285 residues) expressed in Escherichia coli BL21 (DE3) cells intera...				J Med Chem 63: 1156-1177 (2020) Article DOI: 10.1021/acs.jmedchem.9b01492
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32026 (6-quinolinamine | 6-quinolylamine | MLS000080747 |...) Show SMILES Nc1ccc2ncccc2c1 Show InChI InChI=1S/C9H8N2/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H,10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	7.4	23
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2Q23XM6
					More data for this Ligand-Target Pair
DNA recombination protein RecA (Mycobacterium tuberculosis H37Rv)	BDBM32026 (6-quinolinamine | 6-quinolylamine | MLS000080747 |...) Show SMILES Nc1ccc2ncccc2c1 Show InChI InChI=1S/C9H8N2/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H,10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2FN14NR
					More data for this Ligand-Target Pair
DNA recombination protein RecA (Mycobacterium tuberculosis H37Rv)	BDBM32026 (6-quinolinamine | 6-quinolylamine | MLS000080747 |...) Show SMILES Nc1ccc2ncccc2c1 Show InChI InChI=1S/C9H8N2/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H,10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.95E+3	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2DR2SX9
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32026 (6-quinolinamine | 6-quinolylamine | MLS000080747 |...) Show SMILES Nc1ccc2ncccc2c1 Show InChI InChI=1S/C9H8N2/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H,10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	3.81E+4	n/a	n/a	n/a	n/a	7.4	23
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2Q23XM6
					More data for this Ligand-Target Pair
MPI protein (Homo sapiens (Human))	BDBM32026 (6-quinolinamine | 6-quinolylamine | MLS000080747 |...) Show SMILES Nc1ccc2ncccc2c1 Show InChI InChI=1S/C9H8N2/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H,10H2	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	7.4	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2CF9NFM
					More data for this Ligand-Target Pair