Found 11 hits in this display Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM23402
(5-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(4-fluoropheny...)Show SMILES Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C20H19FN4O4S/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29/h3-9,26H,1-2,10-12H2,(H,23,27) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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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 | |
Integrase
(Human immunodeficiency virus 1) | BDBM23402
(5-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(4-fluoropheny...)Show SMILES Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C20H19FN4O4S/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29/h3-9,26H,1-2,10-12H2,(H,23,27) | PDB MMDB
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL MCE 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 | |
Integrase
(Human immunodeficiency virus 1) | BDBM23402
(5-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(4-fluoropheny...)Show SMILES Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C20H19FN4O4S/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29/h3-9,26H,1-2,10-12H2,(H,23,27) | PDB MMDB
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL MCE 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 | |
Integrase
(Human immunodeficiency virus 1) | BDBM50410310
(CHEMBL2079773)Show SMILES [O-]c1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)[N-]Cc1ccc(F)cc1 Show InChI InChI=1S/C20H19FN4O4S/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29/h3-9H,1-2,10-12H2,(H2,23,26,27)/p-2 | PDB MMDB
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Tibotec BVBA
Curated by ChEMBL
| Assay Description Inhibitory concentration against human immunodeficiency virus type 1 integrase |
J Med Chem 48: 1930-40 (2005)
Article DOI: 10.1021/jm049559q BindingDB Entry DOI: 10.7270/Q29Z94FZ |
More data for this Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM23402
(5-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(4-fluoropheny...)Show SMILES Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C20H19FN4O4S/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29/h3-9,26H,1-2,10-12H2,(H,23,27) | PDB MMDB
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL MCE 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 | |
Gag-Pol polyprotein [1148-1435]
(Human immunodeficiency virus type 1) | BDBM23402
(5-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(4-fluoropheny...)Show SMILES Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C20H19FN4O4S/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29/h3-9,26H,1-2,10-12H2,(H,23,27) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL MCE 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 | |
Integrase
(Human immunodeficiency virus 1) | BDBM23402
(5-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(4-fluoropheny...)Show SMILES Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C20H19FN4O4S/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29/h3-9,26H,1-2,10-12H2,(H,23,27) | PDB MMDB
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL MCE 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 | |
Gag-Pol polyprotein [1148-1435]
(Human immunodeficiency virus type 1) | BDBM23402
(5-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(4-fluoropheny...)Show SMILES Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C20H19FN4O4S/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29/h3-9,26H,1-2,10-12H2,(H,23,27) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE 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 | |
Integrase
(Human immunodeficiency virus 1) | BDBM23402
(5-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(4-fluoropheny...)Show SMILES Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C20H19FN4O4S/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29/h3-9,26H,1-2,10-12H2,(H,23,27) | PDB MMDB
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE 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 | |
Integrase
(Human immunodeficiency virus 1) | BDBM23402
(5-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(4-fluoropheny...)Show SMILES Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C20H19FN4O4S/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29/h3-9,26H,1-2,10-12H2,(H,23,27) | PDB MMDB
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE 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 | |
Calcitonin gene-related peptide 1
(Homo sapiens (Human)) | BDBM23402
(5-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(4-fluoropheny...)Show SMILES Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C20H19FN4O4S/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29/h3-9,26H,1-2,10-12H2,(H,23,27) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE 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 | |