BindingDB PrimarySearch

BDBM50004955 1H-Indole-2-carboxylic acid::CHEMBL278390::Indol-2-carboxylic acid::Indole-2-carboxylate

SMILES: OC(=O)c1cc2ccccc2[nH]1

InChI Key: InChIKey=HCUARRIEZVDMPT-UHFFFAOYSA-N

Data: 8 KI 2 IC50

PDB links: 6 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50004955
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
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM50004955 (1H-Indole-2-carboxylic acid \| CHEMBL278390 \| Indol...) Show SMILES OC(=O)c1cc2ccccc2[nH]1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition constant against recombinant human Steroid 5-alpha-reductase type 2 expressed in CHO cells				J Med Chem 38: 13-5 (1995) BindingDB Entry DOI: 10.7270/Q2D50P5K
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
D-Amino Acid Oxidase (DAAO) (Sus scrofa (pig))	BDBM50004955 (1H-Indole-2-carboxylic acid \| CHEMBL278390 \| Indol...) Show SMILES OC(=O)c1cc2ccccc2[nH]1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.40E+3	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 pig kidney DAAO in presence of D-alanine				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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50004955 (1H-Indole-2-carboxylic acid \| CHEMBL278390 \| Indol...) Show SMILES OC(=O)c1cc2ccccc2[nH]1 Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-Bak-BH3 peptide from Mcl-1 (unknown origin) incubated for 1.5 hrs by FPA competition assay				J Med Chem 58: 3794-805 (2015) Article DOI: 10.1021/jm501984f BindingDB Entry DOI: 10.7270/Q24X59HH
Vanderbilt University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50004955 (1H-Indole-2-carboxylic acid \| CHEMBL278390 \| Indol...) Show SMILES OC(=O)c1cc2ccccc2[nH]1 Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...				J Med Chem 56: 15-30 (2013) Article DOI: 10.1021/jm301448p BindingDB Entry DOI: 10.7270/Q29G5P46
Vanderbilt University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-chymotrypsin (Bos taurus (bovine))	BDBM50004955 (1H-Indole-2-carboxylic acid \| CHEMBL278390 \| Indol...) Show SMILES OC(=O)c1cc2ccccc2[nH]1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.20E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
California Institute of Technology					Assay Description Kinetic assay using chymotrypsin.				Biochemistry 4: 99-104 (1965) Article DOI: 10.1021/bi00877a017 BindingDB Entry DOI: 10.7270/Q23N2214
California Institute of Technology					More data for this Ligand-Target Pair
Alpha-chymotrypsin (Bos taurus (bovine))	BDBM50004955 (1H-Indole-2-carboxylic acid \| CHEMBL278390 \| Indol...) Show SMILES OC(=O)c1cc2ccccc2[nH]1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.40E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
California Institute of Technology					Assay Description Kinetic assay using chymotrypsin.				Biochemistry 4: 99-104 (1965) Article DOI: 10.1021/bi00877a017 BindingDB Entry DOI: 10.7270/Q23N2214
California Institute of Technology					More data for this Ligand-Target Pair
Alpha-chymotrypsin (Bos taurus (bovine))	BDBM50004955 (1H-Indole-2-carboxylic acid \| CHEMBL278390 \| Indol...) Show SMILES OC(=O)c1cc2ccccc2[nH]1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
California Institute of Technology					Assay Description Kinetic assay using chymotrypsin.				Biochemistry 4: 99-104 (1965) Article DOI: 10.1021/bi00877a017 BindingDB Entry DOI: 10.7270/Q23N2214
California Institute of Technology					More data for this Ligand-Target Pair
Alpha-chymotrypsin (Bos taurus (bovine))	BDBM50004955 (1H-Indole-2-carboxylic acid \| CHEMBL278390 \| Indol...) Show SMILES OC(=O)c1cc2ccccc2[nH]1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.70E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
California Institute of Technology					Assay Description Kinetic assay using chymotrypsin.				Biochemistry 4: 99-104 (1965) Article DOI: 10.1021/bi00877a017 BindingDB Entry DOI: 10.7270/Q23N2214
California Institute of Technology					More data for this Ligand-Target Pair
D-Aspartate Oxidase (DDO) (Homo sapiens (Human))	BDBM50004955 (1H-Indole-2-carboxylic acid \| CHEMBL278390 \| Indol...) Show SMILES OC(=O)c1cc2ccccc2[nH]1 Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Inhibition of human DDO				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))	BDBM50004955 (1H-Indole-2-carboxylic acid \| CHEMBL278390 \| Indol...) Show SMILES OC(=O)c1cc2ccccc2[nH]1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	745	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