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BDBM50130103 (R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benzenesulfonyl)-amino]-5-(4-benzyl-piperidin-1-yl)-5-oxo-pentanoic acid hydroxyamide::CHEMBL308353

SMILES: COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCC(Cc2ccccc2)CC1)C(=O)NO

InChI Key: InChIKey=DFJSXHMDXDMFGS-MUUNZHRXSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50130103   
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))
BDBM50130103
PNG
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCC(Cc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C32H37N3O8S/c1-41-26-8-10-27(11-9-26)44(39,40)35(21-25-7-13-29-30(20-25)43-22-42-29)28(32(37)33-38)12-14-31(36)34-17-15-24(16-18-34)19-23-5-3-2-4-6-23/h2-11,13,20,24,28,38H,12,14-19,21-22H2,1H3,(H,33,37)/t28-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
120n/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