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BDBM50129217 CHEMBL294432::N-{3-[Benzo[1,3]dioxol-5-ylmethyl-((R)-4-methoxy-benzenesulfonyl)-amino]-3-hydroxycarbamoyl-propyl}-terephthalamic acid methyl ester

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

InChI Key: InChIKey=XMWVDKZJYHLPPS-HSZRJFAPSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50129217   
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))
BDBM50129217
PNG
(CHEMBL294432 | N-{3-[Benzo[1,3]dioxol-5-ylmethyl-(...)
Show SMILES COC(=O)c1ccc(cc1)C(=O)NCC[C@@H](N(Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO
Show InChI InChI=1S/C28H29N3O10S/c1-38-21-8-10-22(11-9-21)42(36,37)31(16-18-3-12-24-25(15-18)41-17-40-24)23(27(33)30-35)13-14-29-26(32)19-4-6-20(7-5-19)28(34)39-2/h3-12,15,23,35H,13-14,16-17H2,1-2H3,(H,29,32)(H,30,33)/t23-/m1/s1
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
PubMed
840n/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


Bioorg Med Chem Lett 13: 2101-4 (2003)


BindingDB Entry DOI: 10.7270/Q2TD9WQS
More data for this
Ligand-Target Pair