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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 = 'BDBM50130111'   
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))
BDBM50130111
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)N1CCN(Cc2ccccc2)CC1)C(=O)NO
Show InChI InChI=1S/C31H36N4O8S/c1-41-25-8-10-26(11-9-25)44(39,40)35(21-24-7-13-28-29(19-24)43-22-42-28)27(31(37)32-38)12-14-30(36)34-17-15-33(16-18-34)20-23-5-3-2-4-6-23/h2-11,13,19,27,38H,12,14-18,20-22H2,1H3,(H,32,37)/t27-/m1/s1
PDB
MMDB

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PC sid
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740n/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