BindingDB PrimarySearch

BDBM50260725 4H-thieno[3,2-b]pyrrole-5-carboxylic acid::CHEMBL507614

SMILES: OC(=O)c1cc2sccc2[nH]1

InChI Key: InChIKey=PMHDSACGRKBACK-UHFFFAOYSA-N

Data: 1 KI 11 IC50 6 Kd

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50260725
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
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50260725 (4H-thieno[3,2-b]pyrrole-5-carboxylic acid \| CHEMBL...) Show SMILES OC(=O)c1cc2sccc2[nH]1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant DAAO by Michaelis-Menten plot analysis in presence of D-serine				J Med Chem 56: 3710-24 (2013) Article DOI: 10.1021/jm4002583 BindingDB Entry DOI: 10.7270/Q2X92CPC
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50260725 (4H-thieno[3,2-b]pyrrole-5-carboxylic acid \| CHEMBL...) Show SMILES OC(=O)c1cc2sccc2[nH]1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DAAO after 30 mins by plate reader analysis				J Med Chem 56: 3582-92 (2013) Article DOI: 10.1021/jm400095b BindingDB Entry DOI: 10.7270/Q2HT2QPZ
Astellas Pharma Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50260725 (4H-thieno[3,2-b]pyrrole-5-carboxylic acid \| CHEMBL...) Show SMILES OC(=O)c1cc2sccc2[nH]1 Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
Merck Sharp & Dohme Curated by ChEMBL					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50260725 (4H-thieno[3,2-b]pyrrole-5-carboxylic acid \| CHEMBL...) Show SMILES OC(=O)c1cc2sccc2[nH]1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	11.9	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products B.V. Curated by ChEMBL					Assay Description Inhibition of human recombinant DAAO expressed in Escherichia coli assessed as H2O2 production from D-serine degradation after 30 mins by fluorescenc...				Eur J Med Chem 46: 4808-19 (2011) Article DOI: 10.1016/j.ejmech.2011.04.023 BindingDB Entry DOI: 10.7270/Q2BK1CRC
Abbott Healthcare Products B.V. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50260725 (4H-thieno[3,2-b]pyrrole-5-carboxylic acid \| CHEMBL...) Show SMILES OC(=O)c1cc2sccc2[nH]1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products B.V. Curated by ChEMBL					Assay Description Inhibition of human DAAO				Eur J Med Chem 46: 4808-19 (2011) Article DOI: 10.1016/j.ejmech.2011.04.023 BindingDB Entry DOI: 10.7270/Q2BK1CRC
Abbott Healthcare Products B.V. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50260725 (4H-thieno[3,2-b]pyrrole-5-carboxylic acid \| CHEMBL...) Show SMILES OC(=O)c1cc2sccc2[nH]1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products B.V. Curated by ChEMBL					Assay Description Binding affinity to human recombinant DAAO by isothermal titration calorimeter analysis				Eur J Med Chem 46: 4808-19 (2011) Article DOI: 10.1016/j.ejmech.2011.04.023 BindingDB Entry DOI: 10.7270/Q2BK1CRC
Abbott Healthcare Products B.V. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50260725 (4H-thieno[3,2-b]pyrrole-5-carboxylic acid \| CHEMBL...) Show SMILES OC(=O)c1cc2sccc2[nH]1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products B.V. Curated by ChEMBL					Assay Description Binding affinity to human recombinant DAAO by kinetic study scintillation proximity assay				Eur J Med Chem 46: 4808-19 (2011) Article DOI: 10.1016/j.ejmech.2011.04.023 BindingDB Entry DOI: 10.7270/Q2BK1CRC
Abbott Healthcare Products B.V. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50260725 (4H-thieno[3,2-b]pyrrole-5-carboxylic acid \| CHEMBL...) Show SMILES OC(=O)c1cc2sccc2[nH]1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products B.V. Curated by ChEMBL					Assay Description Binding affinity to human recombinant DAAO by steady state study scintillation proximity assay				Eur J Med Chem 46: 4808-19 (2011) Article DOI: 10.1016/j.ejmech.2011.04.023 BindingDB Entry DOI: 10.7270/Q2BK1CRC
Abbott Healthcare Products B.V. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50260725 (4H-thieno[3,2-b]pyrrole-5-carboxylic acid \| CHEMBL...) Show SMILES OC(=O)c1cc2sccc2[nH]1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of DAAO (unknown origin)				J Med Chem 56: 3710-24 (2013) Article DOI: 10.1021/jm4002583 BindingDB Entry DOI: 10.7270/Q2X92CPC
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50260725 (4H-thieno[3,2-b]pyrrole-5-carboxylic acid \| CHEMBL...) Show SMILES OC(=O)c1cc2sccc2[nH]1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant DAAO after 1 hr by coupled enzyme assay in presence of D-serine				J Med Chem 56: 3710-24 (2013) Article DOI: 10.1021/jm4002583 BindingDB Entry DOI: 10.7270/Q2X92CPC
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50260725 (4H-thieno[3,2-b]pyrrole-5-carboxylic acid \| CHEMBL...) Show SMILES OC(=O)c1cc2sccc2[nH]1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant DAAO by stopped flow spectrophotometric analysis in presence of FAD				J Med Chem 56: 3710-24 (2013) Article DOI: 10.1021/jm4002583 BindingDB Entry DOI: 10.7270/Q2X92CPC
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50260725 (4H-thieno[3,2-b]pyrrole-5-carboxylic acid \| CHEMBL...) Show SMILES OC(=O)c1cc2sccc2[nH]1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant DAAO at 490 nm spectral modification by spectrophotometric analysis in presence of FAD				J Med Chem 56: 3710-24 (2013) Article DOI: 10.1021/jm4002583 BindingDB Entry DOI: 10.7270/Q2X92CPC
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50260725 (4H-thieno[3,2-b]pyrrole-5-carboxylic acid \| CHEMBL...) Show SMILES OC(=O)c1cc2sccc2[nH]1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant DAAO at 520 nm spectral modification by spectrophotometric analysis in presence of FAD				J Med Chem 56: 3710-24 (2013) Article DOI: 10.1021/jm4002583 BindingDB Entry DOI: 10.7270/Q2X92CPC
Sunovion Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
D-aspartate oxidase (Bos taurus)	BDBM50260725 (4H-thieno[3,2-b]pyrrole-5-carboxylic acid \| CHEMBL...) Show SMILES OC(=O)c1cc2sccc2[nH]1 Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products B.V. Curated by ChEMBL					Assay Description Inhibition of bovine recombinant DASPO expressed in Escherichia coli preincubated for 15 mins by fluorescence assay				Eur J Med Chem 46: 4808-19 (2011) Article DOI: 10.1016/j.ejmech.2011.04.023 BindingDB Entry DOI: 10.7270/Q2BK1CRC
Abbott Healthcare Products B.V. Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50260725 (4H-thieno[3,2-b]pyrrole-5-carboxylic acid \| CHEMBL...) Show SMILES OC(=O)c1cc2sccc2[nH]1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Healthcare Products B.V. Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells by whole cell voltage patch clamp technique				Eur J Med Chem 46: 4808-19 (2011) Article DOI: 10.1016/j.ejmech.2011.04.023 BindingDB Entry DOI: 10.7270/Q2BK1CRC
Abbott Healthcare Products B.V. Curated by ChEMBL					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50260725 (4H-thieno[3,2-b]pyrrole-5-carboxylic acid \| CHEMBL...) Show SMILES OC(=O)c1cc2sccc2[nH]1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	147	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of DAAO (unknown origin) by cell based assay				J Med Chem 56: 3582-92 (2013) Article DOI: 10.1021/jm400095b BindingDB Entry DOI: 10.7270/Q2HT2QPZ
Astellas Pharma Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50260725 (4H-thieno[3,2-b]pyrrole-5-carboxylic acid \| CHEMBL...) Show SMILES OC(=O)c1cc2sccc2[nH]1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	245	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of human DAO				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
Merck Sharp & Dohme Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50260725 (4H-thieno[3,2-b]pyrrole-5-carboxylic acid \| CHEMBL...) Show SMILES OC(=O)c1cc2sccc2[nH]1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 18: 3386-91 (2008) Article DOI: 10.1016/j.bmcl.2008.04.020 BindingDB Entry DOI: 10.7270/Q2WQ03KS
Merck Sharp & Dohme Curated by ChEMBL					More data for this Ligand-Target Pair