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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bone morphogenetic protein 1' and Ligand = 'BDBM50130105'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50130105
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)N(CCC#N)Cc1ccccc1)C(=O)NO
Show InChI InChI=1S/C30H32N4O8S/c1-40-24-9-11-25(12-10-24)43(38,39)34(20-23-8-14-27-28(18-23)42-21-41-27)26(30(36)32-37)13-15-29(35)33(17-5-16-31)19-22-6-3-2-4-7-22/h2-4,6-12,14,18,26,37H,5,13,15,17,19-21H2,1H3,(H,32,36)/t26-/m1/s1
PDB
MMDB

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33n/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