BDBM50241352 2-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-34-[(2S,3S)-2-amino-3-methylpentanamido]-7-(3-carbamimidamidopropyl)-4-{[(1S,2R)-1-carbamoyl-2-hydroxypropyl]carbamoyl}-25-(2-carbamoylethyl)-10,13-bis(1H-imidazol-5-ylmethyl)-19-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-28,31-bis(propan-2-yl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontan-22-yl]acetic acid::CHEMBL266963::COMPSTATIN::ICVVQDWGHHRCT-NH2

SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(N)=O

InChI Key InChIKey=RDTRHBCZFDCUPW-KWICJJCGSA-N

Data  4 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50241352   

TargetComplement factor B(Human)
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50241352(2-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-34-[(2S...)
Affinity DataIC50:  1.20E+4nMAssay Description:Inhibition of human C3/C5 convertase assessed as inhibition of C3 cleavageMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetComplement factor B(Human)
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50241352(2-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-34-[(2S...)
Affinity DataIC50:  3.40E+3nMAssay Description:Inhibition of C3 convertaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetComplement C3(Human)
Utrecht University

Curated by ChEMBL
LigandPNGBDBM50241352(2-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-34-[(2S...)
Affinity DataKd:  1.30E+3nMAssay Description:Binding affinity to complement component C3 in human plasma by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetComplement C3(Human)
Utrecht University

Curated by ChEMBL
LigandPNGBDBM50241352(2-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-34-[(2S...)
Affinity DataIC50:  6.30E+4nMAssay Description:Inhibition of C3 (unknown origin)-binding to convertase of classical pathway by hemolytic assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetComplement C3(Human)
Utrecht University

Curated by ChEMBL
LigandPNGBDBM50241352(2-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-34-[(2S...)
Affinity DataIC50:  1.20E+4nMAssay Description:Inhibition of C3 (unknown origin)-binding to convertase of alternative pathway by hemolytic assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed