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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 = 'BDBM50130112'   
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))
BDBM50130112
PNG
((R)-5-(4-Acetyl-piperazin-1-yl)-2-[benzo[1,3]dioxo...)
Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(CC1)C(C)=O)C(=O)NO
Show InChI InChI=1S/C29H38N4O9S/c1-18-14-25(40-5)19(2)20(3)28(18)43(38,39)33(16-22-6-8-24-26(15-22)42-17-41-24)23(29(36)30-37)7-9-27(35)32-12-10-31(11-13-32)21(4)34/h6,8,14-15,23,37H,7,9-13,16-17H2,1-5H3,(H,30,36)/t23-/m1/s1
PDB
MMDB

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PC cid
PC sid
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PubMed
63n/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