BDBM23402 5-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide::CHEMBL414850::L-870,810
SMILES: Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)NCc1ccc(F)cc1
InChI Key: InChIKey=DIDKWCOCQJWMDJ-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Calcitonin gene-related peptide (CGRP alpha) (Homo sapiens (Human)) | BDBM23402 (5-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(4-fluoropheny...) | Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay | Bioorg Med Chem Lett 21: 6705-8 (2011) Article DOI: 10.1016/j.bmcl.2011.09.056 BindingDB Entry DOI: 10.7270/Q2ZK5H25 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Integrase (Human immunodeficiency virus type 1) | BDBM23402 (5-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(4-fluoropheny...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 13 | n/a | n/a | n/a | n/a | 7.2 | 37 |
GSK | Assay Description Purified recombinant integrase was first combined in a complex with biotinylated donor DNA- streptavidin-coated SPA beads. The complex was preincubat... | Bioorg Med Chem Lett 19: 1802-6 (2009) Article DOI: 10.1016/j.bmcl.2009.01.090 BindingDB Entry DOI: 10.7270/Q2Z899QM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM23402 (5-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(4-fluoropheny...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc. Curated by ChEMBL | Assay Description Inhibition of strand transfer activity of HIV integrase | Bioorg Med Chem Lett 16: 3989-92 (2006) Article DOI: 10.1016/j.bmcl.2006.05.016 BindingDB Entry DOI: 10.7270/Q29K49T8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM23402 (5-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(4-fluoropheny...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity | J Med Chem 49: 1506-8 (2006) Article DOI: 10.1021/jm0600139 BindingDB Entry DOI: 10.7270/Q2H131NP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM23402 (5-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(4-fluoropheny...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Messina Curated by ChEMBL | Assay Description In vitro concentration required to inhibit the overall HIV-1 integrase strand transfer | J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM23402 (5-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(4-fluoropheny...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Messina Curated by ChEMBL | Assay Description In vitro concentration required to inhibit the HIV-1 integrase strand transfer | J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM23402 (5-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(4-fluoropheny...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Messina Curated by ChEMBL | Assay Description Strand transfer inhibitory activity against HIV-1 integrase | J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calcitonin gene-related peptide (CGRP alpha) (Homo sapiens (Human)) | BDBM23402 (5-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(4-fluoropheny...) | Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production after 1 hr | Bioorg Med Chem Lett 21: 6705-8 (2011) Article DOI: 10.1016/j.bmcl.2011.09.056 BindingDB Entry DOI: 10.7270/Q2ZK5H25 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Integrase (Human immunodeficiency virus type 1) | BDBM23402 (5-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(4-fluoropheny...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 44 | n/a | n/a | n/a | n/a | 7.3 | 22 |
Gilead Sciences Inc. | Assay Description In the 3-end joining assay, the biotinylated donor DNA was bound to streptavidin-coated plates, and integrase was added to each well to allow process... | J Mol Biol 380: 504-19 (2008) Article DOI: 10.1016/j.jmb.2008.04.054 BindingDB Entry DOI: 10.7270/Q2707ZQF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM23402 (5-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(4-fluoropheny...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Messina Curated by ChEMBL | Assay Description In vitro concentration required to inhibit the HIV-1 integrase 3' strand transfer | J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1 | |||||||||||
More data for this Ligand-Target Pair |