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BDBM50130117 4-{(R)-4-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benzenesulfonyl)-amino]-4-hydroxycarbamoyl-butyryl}-piperazine-1-carboxylic acid benzyl ester::CHEMBL80195

SMILES: COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(CC1)C(=O)OCc1ccccc1)C(=O)NO

InChI Key: InChIKey=QXRPAVFLMONUIM-HHHXNRCGSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50130117   
Target/Host
(Institution)
LigandTarget/Host
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
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50130117
PNG
(4-{(R)-4-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-b...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(CC1)C(=O)OCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C32H36N4O10S/c1-43-25-8-10-26(11-9-25)47(41,42)36(20-24-7-13-28-29(19-24)46-22-45-28)27(31(38)33-40)12-14-30(37)34-15-17-35(18-16-34)32(39)44-21-23-5-3-2-4-6-23/h2-11,13,19,27,40H,12,14-18,20-22H2,1H3,(H,33,38)/t27-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
260n/an/an/an/an/an/an/an/a



CombiChem Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit procollagen C-terminal proteinase (PCP) tested in vitro


Bioorg Med Chem Lett 13: 2381-4 (2003)


BindingDB Entry DOI: 10.7270/Q26H4GS8
More data for this
Ligand-Target Pair