BDBM49829 (2-fluorophenyl)(5-(2-(methylamino)thiazol-4-yl)indolin-1-yl)methanone (Compound 1)::(2-fluorophenyl)-[5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone::(2-fluorophenyl)-[5-[2-(methylamino)-4-thiazolyl]-2,3-dihydroindol-1-yl]methanone::(2-fluorophenyl)-[5-[2-(methylamino)thiazol-4-yl]indolin-1-yl]methanone::MLS000718316::SMR000290584::cid_1450294
SMILES: CNc1nc(cs1)-c1ccc2N(CCc2c1)C(=O)c1ccccc1F
InChI Key: InChIKey=DAKHCIUKYFQQEU-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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Nuclear factor NF-kappa-B (Homo sapiens (Human)) | BDBM49829![]() ((2-fluorophenyl)(5-(2-(methylamino)thiazol-4-yl)in...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 2.66E+3 | n/a | n/a | n/a | n/a |
SRMLSC Curated by PubChem BioAssay | Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q27P8WT7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
With-No-Lysine kinase 1 (WNK1) (Homo sapiens (Human)) | BDBM49829![]() ((2-fluorophenyl)(5-(2-(methylamino)thiazol-4-yl)in...) | GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | 8.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research, Inc. | Assay Description For hit validation, eight compound replicates were made from the original stock dilution plates. The Cybi-WellTM dispenser was used to prepare 1.5 ... | ACS Chem Biol 11: 3338-3346 (2016) Article DOI: 10.1021/acschembio.6b00511 BindingDB Entry DOI: 10.7270/Q2FB51SQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
With-No-Lysine kinase 1 (WNK1) (Homo sapiens (Human)) | BDBM49829![]() ((2-fluorophenyl)(5-(2-(methylamino)thiazol-4-yl)in...) | GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research, Inc. | Assay Description For hit validation, eight compound replicates were made from the original stock dilution plates. The Cybi-WellTM dispenser was used to prepare 1.5 ... | ACS Chem Biol 11: 3338-3346 (2016) Article DOI: 10.1021/acschembio.6b00511 BindingDB Entry DOI: 10.7270/Q2FB51SQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1 (Homo sapiens (Human)) | BDBM49829![]() ((2-fluorophenyl)(5-(2-(methylamino)thiazol-4-yl)in...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | >9.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2HM5725 | ||||||||||||
More data for this Ligand-Target Pair |