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BDBM50130118 (R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benzenesulfonyl)-amino]-pentanedioic acid 1-hydroxyamide 5-(isobutyl-amide)::CHEMBL76299

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

InChI Key: InChIKey=JDRVPGUNPRZNFR-HXUWFJFHSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50130118   
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))
BDBM50130118
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)NCC(C)C)C(=O)NO
Show InChI InChI=1S/C24H31N3O8S/c1-16(2)13-25-23(28)11-9-20(24(29)26-30)27(14-17-4-10-21-22(12-17)35-15-34-21)36(31,32)19-7-5-18(33-3)6-8-19/h4-8,10,12,16,20,30H,9,11,13-15H2,1-3H3,(H,25,28)(H,26,29)/t20-/m1/s1
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MMDB

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PC cid
PC sid
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PubMed
280n/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