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BDBM50374383 CHEMBL436855

InChI string: InChI=1S/C32H35N5O7S/c1-4-16(2)26(33-17(3)38)30(43)34-21-13-12-18-8-7-9-19-14-23(37(27(18)19)32(21)44)29(42)35-22(15-25(39)40)28(41)31-36-20-10-5-6-11-24(20)45-31/h5-11,16,21-23,26H,4,12-15H2,1-3H3,(H,33,38)(H,34,43)(H,35,42)(H,39,40)/t16-,21-,22-,23-,26-/m0/s1

SMILES: CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)N[C@@H](CC(O)=O)C(=O)c1nc2ccccc2s1

InChI Key: InChIKey=FYVRQGPULACGDC-JAEJYZBISA-N

Data: 1 KI

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50374383   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Granzyme B


(Homo sapiens)
BDBM50374383
PNG
(CHEMBL436855)
Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)N[C@@H](CC(O)=O)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C32H35N5O7S/c1-4-16(2)26(33-17(3)38)30(43)34-21-13-12-18-8-7-9-19-14-23(37(27(18)19)32(21)44)29(42)35-22(15-25(39)40)28(41)31-36-20-10-5-6-11-24(20)45-31/h5-11,16,21-23,26H,4,12-15H2,1-3H3,(H,33,38)(H,34,43)(H,35,42)(H,39,40)/t16-,21-,22-,23-,26-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
85n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of granzyme B


Bioorg Med Chem 16: 1562-95 (2008)

More data for this
Ligand-Target Pair