BDBM50308030 5-chloro-7-((4-ethoxyphenyl)(pyridin-3-ylamino)methyl)quinolin-8-ol::CHEMBL599255::cid_2977478
SMILES: CCOc1ccc(cc1)C(Nc1cccnc1)c1cc(Cl)c2cccnc2c1O
InChI Key: InChIKey=RDJCCPWITAIICC-UHFFFAOYSA-N
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 |
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Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human)) | BDBM50308030 (5-chloro-7-((4-ethoxyphenyl)(pyridin-3-ylamino)met...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 3.35E+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 | |||||||||||||
neutrophil cytosolic factor 1 (Homo sapiens (Human)) | BDBM50308030 (5-chloro-7-((4-ethoxyphenyl)(pyridin-3-ylamino)met...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 5.00E+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: Susan Smith, Emory Univers... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2M90723 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
LAP4 (Saccharomyces cerevisiae) | BDBM50308030 (5-chloro-7-((4-ethoxyphenyl)(pyridin-3-ylamino)met...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q21R6P02 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10) (Homo sapiens (Human)) | BDBM50308030 (5-chloro-7-((4-ethoxyphenyl)(pyridin-3-ylamino)met...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 5.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul... | PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2930RT9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
botulinum neurotoxin type A (Clostridium botulinum (strain Hall / ATCC 3502 / N...) | BDBM50308030 (5-chloro-7-((4-ethoxyphenyl)(pyridin-3-ylamino)met...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of Clostridium botulinum Hall BoNT/A protease activity using Ac-SNKTRIDEANQRATKML-NH2 as substrate after 5 mins by RP-HPLC analysis | ACS Med Chem Lett 3: 387-391 (2012) Article DOI: 10.1021/ml200312s BindingDB Entry DOI: 10.7270/Q2KK9CVX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Botulinum neurotoxin type A (Clostridium botulinum) | BDBM50308030 (5-chloro-7-((4-ethoxyphenyl)(pyridin-3-ylamino)met...) | PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL | Assay Description Inhibition of protease activity of recombinant full-length Clostridium botulinum BoNT/A light chain after 5 mins by HPLC-based assay | Antimicrob Agents Chemother 53: 3478-86 (2009) Article DOI: 10.1128/AAC.00141-09 BindingDB Entry DOI: 10.7270/Q2N29X7X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Botulinum neurotoxin type A (Clostridium botulinum) | BDBM50308030 (5-chloro-7-((4-ethoxyphenyl)(pyridin-3-ylamino)met...) | PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL | Assay Description Inhibition of protease activity of recombinant Clostridium botulinum BoNT/A (1 to 425) light chain after 5 mins by HPLC-based assay | Antimicrob Agents Chemother 53: 3478-86 (2009) Article DOI: 10.1128/AAC.00141-09 BindingDB Entry DOI: 10.7270/Q2N29X7X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Botulinum neurotoxin type A (Clostridium botulinum) | BDBM50308030 (5-chloro-7-((4-ethoxyphenyl)(pyridin-3-ylamino)met...) | PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Microbiotix Inc Curated by ChEMBL | Assay Description Inhibition of Clostridium botulinum toxin BoNT/A light chain | J Med Chem 53: 2264-76 (2010) Article DOI: 10.1021/jm901852f BindingDB Entry DOI: 10.7270/Q2HQ40V7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human)) | BDBM50308030 (5-chloro-7-((4-ethoxyphenyl)(pyridin-3-ylamino)met...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 9.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul... | PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2DV1HJQ | |||||||||||
More data for this Ligand-Target Pair |