BDBM50095914 CHEMBL3590355
SMILES: [H][C@]12CCCCN1C(=O)[C@]([H])(NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc3cc(c1)C(=O)NC[C@]([H])(NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc4ccccc4c1)NC2=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CNC3=O)C(=O)N[C@@H](CCCCN)C(O)=O)[C@H](C)O
InChI Key: InChIKey=MBGQRXQQNDVPAT-UAQFLBAKSA-N
Data: 1 Kd
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)) | BDBM50095914 (CHEMBL3590355) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a |
The Ohio State University Curated by ChEMBL | Assay Description Binding affinity to N-terminal MBP fused and Texas-red-labeled full-length human Pin1 S16A/Y23A mutant expressed in Escherichia coli assessed as incr... | J Med Chem 58: 6306-12 (2015) Article DOI: 10.1021/acs.jmedchem.5b00411 BindingDB Entry DOI: 10.7270/Q2T72K6Z | |||||||||||
More data for this Ligand-Target Pair |