BindingDB PrimarySearch

BDBM50266539 (4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide::CHEMBL456066::CHLORTETRACYCLINE::chlorotetracycline

SMILES: CN(C)[C@H]1[C@@H]2C[C@H]3C(C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O

InChI Key: InChIKey=RNPLSXLZRGPQCU-WYOUFOJNSA-N

Data: 3 KI 2 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50266539
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Purinergic receptor P2Y12 (Homo sapiens (Human))	BDBM50266539 ((4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB0413 from human platelet P2Y12 receptor				J Med Chem 52: 3784-93 (2009) Article DOI: 10.1021/jm9003297 BindingDB Entry DOI: 10.7270/Q2NK3FZF
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50266539 ((4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Inhibition of PAD4 measured by intercept plot of Lineweaver-Burke analyses				Bioorg Med Chem 16: 739-45 (2008) Article DOI: 10.1016/j.bmc.2007.10.021 BindingDB Entry DOI: 10.7270/Q24F1RKF
University of South Carolina Curated by ChEMBL					More data for this Ligand-Target Pair
protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50266539 ((4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	5.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Inhibition of PAD4 measured by slope plot of Lineweaver-Burke analyses				Bioorg Med Chem 16: 739-45 (2008) Article DOI: 10.1016/j.bmc.2007.10.021 BindingDB Entry DOI: 10.7270/Q24F1RKF
University of South Carolina Curated by ChEMBL					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A (Homo sapiens (Human))	BDBM50266539 ((4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University Health Network Curated by ChEMBL					Assay Description Inhibition of PAD4 (unknown origin)				J Med Chem 56: 1715-22 (2013) Article DOI: 10.1021/jm301755q BindingDB Entry DOI: 10.7270/Q2ZS2XTX
University Health Network Curated by ChEMBL					More data for this Ligand-Target Pair
protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM50266539 ((4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Inhibition of PAD4 by ABPP-based assay				Bioorg Med Chem 16: 739-45 (2008) Article DOI: 10.1016/j.bmc.2007.10.021 BindingDB Entry DOI: 10.7270/Q24F1RKF
University of South Carolina Curated by ChEMBL					More data for this Ligand-Target Pair