BDBM50009123 5-methyl-1H-indole-2-carboxylic acid::5-methylindole-2-carboxylic acid::CHEMBL23328
SMILES: Cc1ccc2[nH]c(cc2c1)C(O)=O
InChI Key: InChIKey=DAITVOCMWPNFTL-UHFFFAOYSA-N
Data: 1 IC50 1 Kd
PDB links: 2 PDB IDs match this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50009123 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 |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50009123
(5-methyl-1H-indole-2-carboxylic acid | 5-methylind...)Show InChI InChI=1S/C10H9NO2/c1-6-2-3-8-7(4-6)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | n/a | 2.00E+5 | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description Binding affinity to 8His-tagged Pin1 (45-163) PPIase domain by surface plasmon resonance spectroscopy |
Bioorg Med Chem Lett 20: 586-90 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.090 BindingDB Entry DOI: 10.7270/Q2QJ7HDW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50009123
(5-methyl-1H-indole-2-carboxylic acid | 5-methylind...)Show InChI InChI=1S/C10H9NO2/c1-6-2-3-8-7(4-6)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by ChEMBL
| Assay Description Inhibition of 8His-tagged Pin1 PPIase domain (45-163) |
Bioorg Med Chem Lett 20: 586-90 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.090 BindingDB Entry DOI: 10.7270/Q2QJ7HDW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |