BindingDB PrimarySearch

Found 120 hits with Last Name = 'marini' and Initial = 'e'
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Caspase-1 (Homo sapiens (Human))	BDBM50033886 (CHEMBL2047937 \| Ethyl 2-((2-Chlorophenyl)(Hydroxy)...) Show SMILES CCOC(=O)C(=C)C(O)c1ccccc1Cl Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of caspase 1 (unknown origin) using N-acetyl-Tyr-Val-Ala-Asp-para-nitroanilide substrate assessed as rate of para-nitroanilide release by ...				J Med Chem 57: 10366-82 (2014) Article DOI: 10.1021/jm501072b BindingDB Entry DOI: 10.7270/Q29P337T
Universit£ degli Studi di Torino Curated by ChEMBL					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50433441 (PARTHENOLIDE) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of caspase 1 (unknown origin) using N-acetyl-Tyr-Val-Ala-Asp-para-nitroanilide substrate assessed as rate of para-nitroanilide release by ...				J Med Chem 57: 10366-82 (2014) Article DOI: 10.1021/jm501072b BindingDB Entry DOI: 10.7270/Q29P337T
Universit£ degli Studi di Torino Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50131622 (4-Chloro-5-(3-fluoro-4-methoxy-phenyl)-1-(4-methan...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Activity of COX2 in human heparinized blood assessed as inhibition of LPS-induced PGE2 production after 24 hrs				J Med Chem 50: 1449-57 (2007) Article DOI: 10.1021/jm0607247 BindingDB Entry DOI: 10.7270/Q2Q23ZW6
Università degli Studi di Torino Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Torino Curated by ChEMBL					Assay Description Antagonistic activity against TP-receptor by inhibition of U 46619-induced contraction of isolated guinea pig trachea				Eur J Med Chem 139: 936-946 (2017) Article DOI: 10.1016/j.ejmech.2017.08.046 BindingDB Entry DOI: 10.7270/Q2Q52S4X
University of Torino Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as reduction in PGF2alpha production by ELISA				ACS Med Chem Lett 10: 437-443 (2019) Article DOI: 10.1021/acsmedchemlett.8b00484 BindingDB Entry DOI: 10.7270/Q2HT2SPS
University of Turin Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50131593 (4-[4-Chloro-5-(3-fluoro-4-methoxy-phenyl)-imidazol...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Activity of COX2 in human heparinized blood assessed as inhibition of LPS-induced PGE2 production after 24 hrs				J Med Chem 50: 1449-57 (2007) Article DOI: 10.1021/jm0607247 BindingDB Entry DOI: 10.7270/Q2Q23ZW6
Università degli Studi di Torino Curated by ChEMBL					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50462392 (CHEMBL4248154) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
University of Torino Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat...				Eur J Med Chem 150: 930-945 (2018) Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT
University of Torino Curated by ChEMBL					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50462395 (CHEMBL4238437) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
University of Torino Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat...				Eur J Med Chem 150: 930-945 (2018) Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT
University of Torino Curated by ChEMBL					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50509974 (CHEMBL4434843) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human AKR1C3 His5Gln mutant expressed in Escherichia coli BL21 (DE) Codon Plus RP cells assessed as r...				ACS Med Chem Lett 10: 437-443 (2019) Article DOI: 10.1021/acsmedchemlett.8b00484 BindingDB Entry DOI: 10.7270/Q2HT2SPS
University of Turin Curated by ChEMBL					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50462394 (CHEMBL4249650) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
University of Torino Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat...				Eur J Med Chem 150: 930-945 (2018) Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT
University of Torino Curated by ChEMBL					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50277998 (CHEMBL4174786) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
University of Torino Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat...				Eur J Med Chem 150: 930-945 (2018) Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT
University of Torino Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50277998 (CHEMBL4174786) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
University of Torino Curated by ChEMBL					Assay Description Inhibition of AKR1C3 (unknown origin) using S-tetralol as substrate in presence of NADP+ by fluorimtery				Eur J Med Chem 139: 936-946 (2017) Article DOI: 10.1016/j.ejmech.2017.08.046 BindingDB Entry DOI: 10.7270/Q2Q52S4X
University of Torino Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50464816 (CHEMBL4285001) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Curated by ChEMBL					Assay Description Inhibition of FLAG-tagged HDAC2 (unknown origin) expressed in HEK293T cells using acetylated lysine side chain as substrate after 1 hr by colorimetri...				Eur J Med Chem 144: 612-625 (2018) Article DOI: 10.1016/j.ejmech.2017.12.047 BindingDB Entry DOI: 10.7270/Q2KP84T7
Goethe University Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50464815 (CHEMBL4281580) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Curated by ChEMBL					Assay Description Inhibition of FLAG-tagged HDAC2 (unknown origin) expressed in HEK293T cells using acetylated lysine side chain as substrate after 1 hr by colorimetri...				Eur J Med Chem 144: 612-625 (2018) Article DOI: 10.1016/j.ejmech.2017.12.047 BindingDB Entry DOI: 10.7270/Q2KP84T7
Goethe University Curated by ChEMBL					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50462391 (CHEMBL4238142) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
University of Torino Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat...				Eur J Med Chem 150: 930-945 (2018) Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT
University of Torino Curated by ChEMBL					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM17636 (2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid \|...) Show SMILES OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
University of Torino Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat...				Eur J Med Chem 150: 930-945 (2018) Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT
University of Torino Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM17636 (2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid \|...) Show SMILES OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
University of Torino Curated by ChEMBL					Assay Description Inhibition of type-1 human steroid 5-alpha-reductase				Eur J Med Chem 139: 936-946 (2017) Article DOI: 10.1016/j.ejmech.2017.08.046 BindingDB Entry DOI: 10.7270/Q2Q52S4X
University of Torino Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50278013 (CHEMBL4166887) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
University of Torino Curated by ChEMBL					Assay Description Thromboxane (TXA2) receptor antagonist activity using human platelet				Eur J Med Chem 139: 936-946 (2017) Article DOI: 10.1016/j.ejmech.2017.08.046 BindingDB Entry DOI: 10.7270/Q2Q52S4X
University of Torino Curated by ChEMBL					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM17636 (2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid \|...) Show SMILES OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
University of Torino Curated by ChEMBL					Assay Description Antagonistic activity against TP-receptor by inhibition of U 46619-induced contraction of isolated guinea pig trachea				Eur J Med Chem 139: 936-946 (2017) Article DOI: 10.1016/j.ejmech.2017.08.046 BindingDB Entry DOI: 10.7270/Q2Q52S4X
University of Torino Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM17636 (2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid \|...) Show SMILES OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
University of Torino Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human AKR1C2 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat...				Eur J Med Chem 150: 930-945 (2018) Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT
University of Torino Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome c oxidase subunit 2 (Homo sapiens (Human))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
University of Torino Curated by ChEMBL					Assay Description Thromboxane (TXA2) receptor antagonist activity using human platelet				Eur J Med Chem 139: 936-946 (2017) Article DOI: 10.1016/j.ejmech.2017.08.046 BindingDB Entry DOI: 10.7270/Q2Q52S4X
University of Torino Curated by ChEMBL					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50462397 (CHEMBL4245231) Show SMILES Oc1noc2cccc(Nc3cccc(c3)C(F)(F)F)c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
University of Torino Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat...				Eur J Med Chem 150: 930-945 (2018) Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT
University of Torino Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome c oxidase subunit 2 (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
University of Torino Curated by ChEMBL					Assay Description Antagonistic activity against TP-receptor by inhibition of U 46619-induced contraction of isolated guinea pig trachea				Eur J Med Chem 139: 936-946 (2017) Article DOI: 10.1016/j.ejmech.2017.08.046 BindingDB Entry DOI: 10.7270/Q2Q52S4X
University of Torino Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Inhibition of human COX2 assessed as reduction in PGF2alpha production by ELISA				ACS Med Chem Lett 10: 437-443 (2019) Article DOI: 10.1021/acsmedchemlett.8b00484 BindingDB Entry DOI: 10.7270/Q2HT2SPS
University of Turin Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19410 (CHEMBL27759 \| MS-275 \| US11377423, MS-275 \| US1167...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Curated by ChEMBL					Assay Description Inhibition of FLAG-tagged HDAC2 (unknown origin) expressed in HEK293T cells using acetylated lysine side chain as substrate after 1 hr by colorimetri...				Eur J Med Chem 144: 612-625 (2018) Article DOI: 10.1016/j.ejmech.2017.12.047 BindingDB Entry DOI: 10.7270/Q2KP84T7
Goethe University Curated by ChEMBL					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50095990 (CHEMBL3593282) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of Amyloid beta (1 to 42) (unknown origin) aggregation assessed as amount of fibrils formation after 2 hrs by thioflavin T based spectrofl...				Bioorg Med Chem 23: 4688-98 (2015) Article DOI: 10.1016/j.bmc.2015.05.050 BindingDB Entry DOI: 10.7270/Q29888RC
Universit£ degli Studi di Torino Curated by ChEMBL					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50509973 (CHEMBL4590005) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human AKR1C3 His5Gln mutant expressed in Escherichia coli BL21 (DE) Codon Plus RP cells assessed as r...				ACS Med Chem Lett 10: 437-443 (2019) Article DOI: 10.1021/acsmedchemlett.8b00484 BindingDB Entry DOI: 10.7270/Q2HT2SPS
University of Turin Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50464816 (CHEMBL4285001) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Curated by ChEMBL					Assay Description Inhibition of human FLAG-tagged HDAC1 expressed in HEK293T cells using acetylated lysine side chain as substrate after 1 hr by colorimetric detection...				Eur J Med Chem 144: 612-625 (2018) Article DOI: 10.1016/j.ejmech.2017.12.047 BindingDB Entry DOI: 10.7270/Q2KP84T7
Goethe University Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50464815 (CHEMBL4281580) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Curated by ChEMBL					Assay Description Inhibition of human FLAG-tagged HDAC1 expressed in HEK293T cells using acetylated lysine side chain as substrate after 1 hr by colorimetric detection...				Eur J Med Chem 144: 612-625 (2018) Article DOI: 10.1016/j.ejmech.2017.12.047 BindingDB Entry DOI: 10.7270/Q2KP84T7
Goethe University Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19410 (CHEMBL27759 \| MS-275 \| US11377423, MS-275 \| US1167...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Curated by ChEMBL					Assay Description Inhibition of human FLAG-tagged HDAC1 expressed in HEK293T cells using acetylated lysine side chain as substrate after 1 hr by colorimetric detection...				Eur J Med Chem 144: 612-625 (2018) Article DOI: 10.1016/j.ejmech.2017.12.047 BindingDB Entry DOI: 10.7270/Q2KP84T7
Goethe University Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50464816 (CHEMBL4285001) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Curated by ChEMBL					Assay Description Inhibition of human FLAG-tagged HDAC3 expressed in HEK293T cells using acetylated lysine side chain as substrate after 1 hr by colorimetric detection...				Eur J Med Chem 144: 612-625 (2018) Article DOI: 10.1016/j.ejmech.2017.12.047 BindingDB Entry DOI: 10.7270/Q2KP84T7
Goethe University Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50464815 (CHEMBL4281580) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Curated by ChEMBL					Assay Description Inhibition of human FLAG-tagged HDAC3 expressed in HEK293T cells using acetylated lysine side chain as substrate after 1 hr by colorimetric detection...				Eur J Med Chem 144: 612-625 (2018) Article DOI: 10.1016/j.ejmech.2017.12.047 BindingDB Entry DOI: 10.7270/Q2KP84T7
Goethe University Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM19410 (CHEMBL27759 \| MS-275 \| US11377423, MS-275 \| US1167...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Curated by ChEMBL					Assay Description Inhibition of human FLAG-tagged HDAC3 expressed in HEK293T cells using acetylated lysine side chain as substrate after 1 hr by colorimetric detection...				Eur J Med Chem 144: 612-625 (2018) Article DOI: 10.1016/j.ejmech.2017.12.047 BindingDB Entry DOI: 10.7270/Q2KP84T7
Goethe University Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Activity of COX2 in human heparinized blood assessed as inhibition of LPS-induced PGE2 production after 24 hrs				J Med Chem 50: 1449-57 (2007) Article DOI: 10.1021/jm0607247 BindingDB Entry DOI: 10.7270/Q2Q23ZW6
Università degli Studi di Torino Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50462393 (CHEMBL4249427) Show SMILES Oc1noc2cccc(Nc3cccc(c3)[N+]([O-])=O)c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Torino Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat...				Eur J Med Chem 150: 930-945 (2018) Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT
University of Torino Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22369 (4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Activity of COX2 in human heparinized blood assessed as inhibition of LPS-induced PGE2 production after 24 hrs				J Med Chem 50: 1449-57 (2007) Article DOI: 10.1021/jm0607247 BindingDB Entry DOI: 10.7270/Q2Q23ZW6
Università degli Studi di Torino Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50277997 (CHEMBL4159654) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Torino Curated by ChEMBL					Assay Description Thromboxane (TXA2) receptor antagonist activity using human platelet				Eur J Med Chem 139: 936-946 (2017) Article DOI: 10.1016/j.ejmech.2017.08.046 BindingDB Entry DOI: 10.7270/Q2Q52S4X
University of Torino Curated by ChEMBL					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50095989 (CHEMBL3593279) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of Amyloid beta (1 to 42) (unknown origin) aggregation assessed as amount of fibrils formation after 2 hrs by thioflavin T based spectrofl...				Bioorg Med Chem 23: 4688-98 (2015) Article DOI: 10.1016/j.bmc.2015.05.050 BindingDB Entry DOI: 10.7270/Q29888RC
Universit£ degli Studi di Torino Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50131593 (4-[4-Chloro-5-(3-fluoro-4-methoxy-phenyl)-imidazol...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of COX1 in human whole blood assessed as TxB2 production after 1 hr				J Med Chem 50: 1449-57 (2007) Article DOI: 10.1021/jm0607247 BindingDB Entry DOI: 10.7270/Q2Q23ZW6
Università degli Studi di Torino Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome c oxidase subunit 2 (Homo sapiens (Human))	BDBM22369 (4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Torino Curated by ChEMBL					Assay Description Antagonistic activity against TP-receptor by inhibition of U 46619-induced contraction of isolated guinea pig trachea				Eur J Med Chem 139: 936-946 (2017) Article DOI: 10.1016/j.ejmech.2017.08.046 BindingDB Entry DOI: 10.7270/Q2Q52S4X
University of Torino Curated by ChEMBL					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM75309 ((2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of Amyloid beta (1 to 42) (unknown origin) aggregation assessed as amount of fibrils formation after 2 hrs by thioflavin T based spectrofl...				Bioorg Med Chem 23: 4688-98 (2015) Article DOI: 10.1016/j.bmc.2015.05.050 BindingDB Entry DOI: 10.7270/Q29888RC
Universit£ degli Studi di Torino Curated by ChEMBL					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50462396 (CHEMBL4238730) Show SMILES Oc1noc2ccc(Nc3cccc(c3)C(F)(F)F)cc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Torino Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat...				Eur J Med Chem 150: 930-945 (2018) Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT
University of Torino Curated by ChEMBL					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50277998 (CHEMBL4174786) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Torino Curated by ChEMBL					Assay Description Thromboxane (TXA2) receptor antagonist activity using human platelet				Eur J Med Chem 139: 936-946 (2017) Article DOI: 10.1016/j.ejmech.2017.08.046 BindingDB Entry DOI: 10.7270/Q2Q52S4X
University of Torino Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50462394 (CHEMBL4249650) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Torino Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human AKR1C2 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat...				Eur J Med Chem 150: 930-945 (2018) Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT
University of Torino Curated by ChEMBL					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50462397 (CHEMBL4245231) Show SMILES Oc1noc2cccc(Nc3cccc(c3)C(F)(F)F)c12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Torino Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human AKR1C2 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat...				Eur J Med Chem 150: 930-945 (2018) Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT
University of Torino Curated by ChEMBL					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50462393 (CHEMBL4249427) Show SMILES Oc1noc2cccc(Nc3cccc(c3)[N+]([O-])=O)c12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Torino Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human AKR1C2 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat...				Eur J Med Chem 150: 930-945 (2018) Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT
University of Torino Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50131622 (4-Chloro-5-(3-fluoro-4-methoxy-phenyl)-1-(4-methan...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of COX1 in human whole blood assessed as TxB2 production after 1 hr				J Med Chem 50: 1449-57 (2007) Article DOI: 10.1021/jm0607247 BindingDB Entry DOI: 10.7270/Q2Q23ZW6
Università degli Studi di Torino Curated by ChEMBL					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50206929 (2-{4-[4-chloro-1-(4-(methylsulfonyl)phenyl)-1H-imi...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Torino Curated by ChEMBL					Assay Description Activity of COX2 in human heparinized blood assessed as inhibition of LPS-induced PGE2 production after 24 hrs				J Med Chem 50: 1449-57 (2007) Article DOI: 10.1021/jm0607247 BindingDB Entry DOI: 10.7270/Q2Q23ZW6
Università degli Studi di Torino Curated by ChEMBL					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	7.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Turin Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human AKR1C3 His5Gln mutant expressed in Escherichia coli BL21 (DE) Codon Plus RP cells assessed as r...				ACS Med Chem Lett 10: 437-443 (2019) Article DOI: 10.1021/acsmedchemlett.8b00484 BindingDB Entry DOI: 10.7270/Q2HT2SPS
University of Turin Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50095988 (CHEMBL3593278) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of Amyloid beta (1 to 42) (unknown origin) aggregation assessed as amount of fibrils formation after 2 hrs by thioflavin T based spectrofl...				Bioorg Med Chem 23: 4688-98 (2015) Article DOI: 10.1016/j.bmc.2015.05.050 BindingDB Entry DOI: 10.7270/Q29888RC
Universit£ degli Studi di Torino Curated by ChEMBL					More data for this Ligand-Target Pair

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