BDBM50305673 (R)-2-(benzo[b]thiophene-2-carboxamido)-3-(1H-benzo[d]imidazol-2-yl)propanoic acid::3-(1H-benzimidazol-2-yl)-N-(1-benzothiophen-2-ylcarbonyl)-D-alanine::CHEMBL609887
SMILES: OC(=O)[C@@H](Cc1nc2ccccc2[nH]1)NC(=O)c1cc2ccccc2s1
InChI Key: InChIKey=OEMQUBXYMQNIGH-CQSZACIVSA-N
Data: 1 IC50 1 Kd
PDB links: 1 PDB ID matches this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50305673 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)) | BDBM50305673
((R)-2-(benzo[b]thiophene-2-carboxamido)-3-(1H-benz...)Show SMILES OC(=O)[C@@H](Cc1nc2ccccc2[nH]1)NC(=O)c1cc2ccccc2s1 |r| Show InChI InChI=1S/C19H15N3O3S/c23-18(16-9-11-5-1-4-8-15(11)26-16)22-14(19(24)25)10-17-20-12-6-2-3-7-13(12)21-17/h1-9,14H,10H2,(H,20,21)(H,22,23)(H,24,25)/t14-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | n/a | 1.00E+4 | 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)) | BDBM50305673
((R)-2-(benzo[b]thiophene-2-carboxamido)-3-(1H-benz...)Show SMILES OC(=O)[C@@H](Cc1nc2ccccc2[nH]1)NC(=O)c1cc2ccccc2s1 |r| Show InChI InChI=1S/C19H15N3O3S/c23-18(16-9-11-5-1-4-8-15(11)26-16)22-14(19(24)25)10-17-20-12-6-2-3-7-13(12)21-17/h1-9,14H,10H2,(H,20,21)(H,22,23)(H,24,25)/t14-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 830 | 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) |