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BDBM50130130 (R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benzenesulfonyl)-amino]-pentanedioic acid 5-benzylamide 1-hydroxyamide::CHEMBL77341

SMILES: COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)NCc1ccccc1)C(=O)NO

InChI Key: InChIKey=KCYVYEKUJBZSIA-HSZRJFAPSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50130130   
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))
BDBM50130130
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)NCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C27H29N3O8S/c1-36-21-8-10-22(11-9-21)39(34,35)30(17-20-7-13-24-25(15-20)38-18-37-24)23(27(32)29-33)12-14-26(31)28-16-19-5-3-2-4-6-19/h2-11,13,15,23,33H,12,14,16-18H2,1H3,(H,28,31)(H,29,32)/t23-/m1/s1
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MMDB

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PC sid
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98n/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