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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 = 'BDBM50111824'   
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))
BDBM50111824
PNG
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](Cc1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C40H36N4O7S/c1-49-34-18-20-35(21-19-34)52(47,48)44(26-29-17-22-37-38(23-29)51-28-50-37)36(39(45)42-46)24-33-25-41-27-43(33)40(30-11-5-2-6-12-30,31-13-7-3-8-14-31)32-15-9-4-10-16-32/h2-23,25,27,36,46H,24,26,28H2,1H3,(H,42,45)/t36-/m1/s1
PDB
MMDB

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Similars

PubMed
n/an/a 36n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP)


Bioorg Med Chem Lett 12: 1233-5 (2002)


BindingDB Entry DOI: 10.7270/Q29C6WR3
More data for this
Ligand-Target Pair