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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 = 'BDBM50130136'   
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))
BDBM50130136
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(CCc1ccccc1)Cc1ccccc1)C(=O)NO
Show InChI InChI=1S/C35H37N3O8S/c1-44-29-13-15-30(16-14-29)47(42,43)38(24-28-12-18-32-33(22-28)46-25-45-32)31(35(40)36-41)17-19-34(39)37(23-27-10-6-3-7-11-27)21-20-26-8-4-2-5-9-26/h2-16,18,22,31,41H,17,19-21,23-25H2,1H3,(H,36,40)/t31-/m1/s1
PDB
MMDB

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100n/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