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BDBM50130134 (R)-4-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benzenesulfonyl)-amino]-4-hydroxycarbamoyl-butyric acid methyl ester::CHEMBL80653

SMILES: COC(=O)CC[C@@H](N(Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO

InChI Key: InChIKey=BZUXAYWQDFEQBO-QGZVFWFLSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50130134   
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))
BDBM50130134
PNG
((R)-4-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)
Show SMILES COC(=O)CC[C@@H](N(Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO
Show InChI InChI=1S/C21H24N2O9S/c1-29-15-4-6-16(7-5-15)33(27,28)23(17(21(25)22-26)8-10-20(24)30-2)12-14-3-9-18-19(11-14)32-13-31-18/h3-7,9,11,17,26H,8,10,12-13H2,1-2H3,(H,22,25)/t17-/m1/s1
PDB
MMDB

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PC sid
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300n/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