BDBM210930 UCP1173

SMILES CCc1nc(N)nc(N)c1C#C[C@H](C)c1cc(OC)cc(c1)-c1ccc(cc1)C(O)=O

InChI Key InChIKey=OKJCHFXBCVXSIZ-AWEZNQCLSA-N

Data  4 KI  5 IC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 210930   

TargetDihydrofolate reductase(Homo sapiens (Human))
University Of Connecticut

Curated by ChEMBL

LigandBDBM210930(UCP1173)Copy SMILESCopy InChI

Affinity DataKi:  234nMAssay Description:Inhibition of recombinant human DHFR assessed as reduction in NADPH oxidation using dihydrofolate as substrate preincubated for 5 mins followed by su...More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sidPDB

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

TargetDihydrofolate reductase(Mycobacterium tuberculosis)TBA

LigandBDBM210930(UCP1173)Copy SMILESCopy InChI

Affinity DataIC50:  177nMAssay Description:Inhibition of Mycobacterium tuberculosis DHFRMore data for this Ligand-Target Pair

Target InfoPDBMMDBKEGG
UniProtKB/SwissProt
B.MOADDrugBankGoogleScholar

Ligand InfoPC cidPC sidPDB

In DepthDetails PubMedPDB3D Structure (crystal)
Copy BDB DOI