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

Data: 1 KI  9 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 23402   

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...) 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)	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...) 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 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...) 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 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...) 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 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...) 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 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...) 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 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...) 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 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...) 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)	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...) 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 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...) 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 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