BDBM50590310 CHEMBL5195943

SMILES CC(C)C[C@H](NC(=O)CC[C@H](NC(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O

InChI Key InChIKey=KZDPKYGZZABUOE-CDGRTYJPSA-N

Data  1 KI  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50590310   

TargetThymidylate synthase(Homo sapiens (Human))
University Of Modena And Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50590310(CHEMBL5195943)
Affinity DataKi:  7.30E+4nMAssay Description:Non competitive type inhibition of human TS assessed as inhibition constant using varying levels of mTHF as substrate by UV-Vis spectroscopy based an...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetThymidylate synthase(Homo sapiens (Human))
University Of Modena And Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM50590310(CHEMBL5195943)
Affinity DataKd:  1.20E+5nMAssay Description:Mixed type inhibition of human TS assessed as inhibitor dissociation constant by measuring changes in slope of the double reciprocal plot using dTMP ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed