BDBM50092807 CHEMBL3586411
SMILES: [H][C@@]12CCC=C(COC(=O)c3cc(Br)c[nH]3)[C@]1(C)CC[C@H](C)[C@@]2(C)CC\C(C)=C\C[n+]1cn(C)c2ncnc(N)c12
InChI Key:
Data: 5 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Protein-tyrosine phosphatase 1B (Homo sapiens (Human)) | BDBM50092807 (CHEMBL3586411) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of human recombinant PTP1B using pNPP as substrate assessed as rate of hydrolysis incubated for 10 mins prior to substrate addition measur... | J Nat Prod 78: 1428-33 (2015) Article DOI: 10.1021/acs.jnatprod.5b00375 BindingDB Entry DOI: 10.7270/Q2VH5QM6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human)) | BDBM50092807 (CHEMBL3586411) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Natural Product Chemistry, Faculty of Pharmaceutical Sciences, Tohoku Medical and Pharmaceutical University, Aoba-ku, Sendai 981-8558, Japan. Electronic address: yamazaki@tohoku-mpu.ac. Curated by ChEMBL | Assay Description Inhibition of human recombinant TCPTP (1 to 317 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by ... | Bioorg Med Chem Lett 27: 2207-2209 (2017) Article DOI: 10.1016/j.bmcl.2017.03.033 BindingDB Entry DOI: 10.7270/Q2XP77DT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein-tyrosine phosphatase 1B (Homo sapiens (Human)) | BDBM50092807 (CHEMBL3586411) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Natural Product Chemistry, Faculty of Pharmaceutical Sciences, Tohoku Medical and Pharmaceutical University, Aoba-ku, Sendai 981-8558, Japan. Electronic address: yamazaki@tohoku-mpu.ac. Curated by ChEMBL | Assay Description Inhibition of human recombinant PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by ... | Bioorg Med Chem Lett 27: 2207-2209 (2017) Article DOI: 10.1016/j.bmcl.2017.03.033 BindingDB Entry DOI: 10.7270/Q2XP77DT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte common antigen (Homo sapiens (Human)) | BDBM50092807 (CHEMBL3586411) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Natural Product Chemistry, Faculty of Pharmaceutical Sciences, Tohoku Medical and Pharmaceutical University, Aoba-ku, Sendai 981-8558, Japan. Electronic address: yamazaki@tohoku-mpu.ac. Curated by ChEMBL | Assay Description Inhibition of human recombinant CD45 using pNPP as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins | Bioorg Med Chem Lett 27: 2207-2209 (2017) Article DOI: 10.1016/j.bmcl.2017.03.033 BindingDB Entry DOI: 10.7270/Q2XP77DT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dual specificity protein phosphatase 3 (Homo sapiens (Human)) | BDBM50092807 (CHEMBL3586411) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Natural Product Chemistry, Faculty of Pharmaceutical Sciences, Tohoku Medical and Pharmaceutical University, Aoba-ku, Sendai 981-8558, Japan. Electronic address: yamazaki@tohoku-mpu.ac. Curated by ChEMBL | Assay Description Inhibition of human recombinant VHR expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by substrate addition mea... | Bioorg Med Chem Lett 27: 2207-2209 (2017) Article DOI: 10.1016/j.bmcl.2017.03.033 BindingDB Entry DOI: 10.7270/Q2XP77DT | |||||||||||
More data for this Ligand-Target Pair |