BDBM50205841 CHEMBL3898956

SMILES C[C@@H]1CC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc(OCC(F)F)c1c3)c2)S(=O)(=O)C1CC1

InChI Key InChIKey=UWAQLEGUXYPPDC-ZUQCGGBESA-N

Data  3 KI

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50205841   

TargetCoagulation factor VII/Tissue factor(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL

LigandBDBM50205841(CHEMBL3898956)Copy SMILESCopy InChI

Affinity DataKi:  0.240nMAssay Description:Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins at 37 degCMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
DrugBankantibodypediaantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

TargetKallikrein-1(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL

LigandBDBM50205841(CHEMBL3898956)Copy SMILESCopy InChI

Affinity DataKi:  9.40nMAssay Description:Inhibition of tissue Kallikrein-1 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBReactome pathway
UniProtKB/SwissProt
antibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetVitamin K-dependent protein C(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL

LigandBDBM50205841(CHEMBL3898956)Copy SMILESCopy InChI

Affinity DataKi:  39nMAssay Description:Inhibition of activated protein C (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI