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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bone morphogenetic protein 1' and Ligand = 'BDBM50130121'   
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))
BDBM50130121
PNG
((R)-ethyl 4-(4-(N-(benzo[d][1,3]dioxol-5-ylmethyl)...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)CC[C@@H](N(Cc1ccc2OCOc2c1)S(=O)(=O)c1c(C)cc(OC)c(C)c1C)C(=O)NO |r|
Show InChI InChI=1S/C30H40N4O10S/c1-6-42-30(37)33-13-11-32(12-14-33)27(35)10-8-23(29(36)31-38)34(17-22-7-9-24-26(16-22)44-18-43-24)45(39,40)28-19(2)15-25(41-5)20(3)21(28)4/h7,9,15-16,23,38H,6,8,10-14,17-18H2,1-5H3,(H,31,36)/t23-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
43n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of BMP1


Bioorg Med Chem 16: 8781-94 (2008)


Article DOI: 10.1016/j.bmc.2008.08.058
BindingDB Entry DOI: 10.7270/Q2JD4WM2
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50130121
PNG
((R)-ethyl 4-(4-(N-(benzo[d][1,3]dioxol-5-ylmethyl)...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)CC[C@@H](N(Cc1ccc2OCOc2c1)S(=O)(=O)c1c(C)cc(OC)c(C)c1C)C(=O)NO |r|
Show InChI InChI=1S/C30H40N4O10S/c1-6-42-30(37)33-13-11-32(12-14-33)27(35)10-8-23(29(36)31-38)34(17-22-7-9-24-26(16-22)44-18-43-24)45(39,40)28-19(2)15-25(41-5)20(3)21(28)4/h7,9,15-16,23,38H,6,8,10-14,17-18H2,1-5H3,(H,31,36)/t23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
43n/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