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BDBM50129221 2-[Benzo[1,3]dioxol-5-ylmethyl-((R)-4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-3-[3-{4-chloro-phenyl-sulfonyl}-urea-1-yl]-propionamide::CHEMBL67907

SMILES: COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CNC(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NO

InChI Key: InChIKey=IKGRNTUENROFIR-OAQYLSRUSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50129221   
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)
BDBM50129221
PNG
(2-[Benzo[1,3]dioxol-5-ylmethyl-((R)-4-methoxy-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CNC(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NO
Show InChI InChI=1S/C25H25ClN4O10S2/c1-38-18-5-9-20(10-6-18)42(36,37)30(14-16-2-11-22-23(12-16)40-15-39-22)21(24(31)28-33)13-27-25(32)29-41(34,35)19-7-3-17(26)4-8-19/h2-12,21,33H,13-15H2,1H3,(H,28,31)(H2,27,29,32)/t21-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
18n/an/an/an/an/an/an/an/a



CombiChem Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against procollagen C-terminal proteinase (PCP) in HT-1080 cells using synthetic peptide as substrate


Citation and Details
More data for this
Ligand-Target Pair