BDBM50226518 3-Aminobenzoesaeure::3-aminobenzoic acid::CHEMBL307782::m-Aminobenzoesaeure

SMILES: Nc1cccc(c1)C(O)=O

InChI Key: InChIKey=XFDUHJPVQKIXHO-UHFFFAOYSA-N

Data: 1 KI  3 IC50  2 Kd

PDB links: 9 PDB IDs match 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 6 hits for monomerid = 50226518   

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
Proton-coupled amino acid transporter 1 (Homo sapiens (Human))	BDBM50226518 (3-Aminobenzoesaeure | 3-aminobenzoic acid | CHEMBL...) Show SMILES Nc1cccc(c1)C(O)=O Show InChI InChI=1S/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.20E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of human PAT1-mediated L-[3H]proline uptake in human Caco2 cells after 10 mins by liquid scintillation counting				Bioorg Med Chem 19: 6409-18 (2011) Checked by Author Article DOI: 10.1016/j.bmc.2011.08.058 BindingDB Entry DOI: 10.7270/Q2NZ882D
					More data for this Ligand-Target Pair
D-Aspartate Oxidase (DDO) (Homo sapiens (Human))	BDBM50226518 (3-Aminobenzoesaeure | 3-aminobenzoic acid | CHEMBL...) Show SMILES Nc1cccc(c1)C(O)=O Show InChI InChI=1S/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Inhibition of human recombinant DDO expressed in Escherichia coli BL21(DE3) using D-Asp and D-Ala assessed as 2-oxo acid production after 10 mins by ...				J Med Chem 58: 7328-40 (2015) BindingDB Entry DOI: 10.7270/Q2WM1G6R
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM50226518 (3-Aminobenzoesaeure | 3-aminobenzoic acid | CHEMBL...) Show SMILES Nc1cccc(c1)C(O)=O Show InChI InChI=1S/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, UK. Curated by ChEMBL					Assay Description Binding affinity to CK2alpha (unknown origin) by ITC				Bioorg Med Chem 25: 3471-3482 (2017) Article DOI: 10.1016/j.bmc.2017.04.037 BindingDB Entry DOI: 10.7270/Q29G5Q8D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-amino-N-butyrate transaminase (Homo sapiens (Human))	BDBM50226518 (3-Aminobenzoesaeure | 3-aminobenzoic acid | CHEMBL...) Show SMILES Nc1cccc(c1)C(O)=O Show InChI InChI=1S/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of GABA-AT				Bioorg Med Chem Lett 18: 3122-5 (2008) Article DOI: 10.1016/j.bmcl.2007.10.060 BindingDB Entry DOI: 10.7270/Q22J6CRF
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50226518 (3-Aminobenzoesaeure | 3-aminobenzoic acid | CHEMBL...) Show SMILES Nc1cccc(c1)C(O)=O Show InChI InChI=1S/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	3.92E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Inhibition of human recombinant DAO expressed in Escherichia coli BL21(DE3) using D-Asp and D-Ala assessed as 2-oxo acid production after 10 mins by ...				J Med Chem 58: 7328-40 (2015) BindingDB Entry DOI: 10.7270/Q2WM1G6R
					More data for this Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3) (Homo sapiens (Human))	BDBM50226518 (3-Aminobenzoesaeure | 3-aminobenzoic acid | CHEMBL...) Show SMILES Nc1cccc(c1)C(O)=O Show InChI InChI=1S/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a
Institutet Curated by ChEMBL					Assay Description Binding affinity to human PARP3 PARP domain by isothermal titration colorimetry				J Med Chem 52: 3108-11 (2009) Article DOI: 10.1021/jm900052j BindingDB Entry DOI: 10.7270/Q2B56JNV
					More data for this Ligand-Target Pair				3D Structure (crystal)