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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50130102   
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))
BDBM50130102
PNG
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-2,3,...)
Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(CC1)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C33H40N4O8S/c1-22-18-29(43-4)23(2)24(3)32(22)46(41,42)37(20-25-10-12-28-30(19-25)45-21-44-28)27(33(39)34-40)11-13-31(38)36-16-14-35(15-17-36)26-8-6-5-7-9-26/h5-10,12,18-19,27,40H,11,13-17,20-21H2,1-4H3,(H,34,39)/t27-/m1/s1
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PC cid
PC sid
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PubMed
110n/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
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50130102
PNG
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-2,3,...)
Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(CC1)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C33H40N4O8S/c1-22-18-29(43-4)23(2)24(3)32(22)46(41,42)37(20-25-10-12-28-30(19-25)45-21-44-28)27(33(39)34-40)11-13-31(38)36-16-14-35(15-17-36)26-8-6-5-7-9-26/h5-10,12,18-19,27,40H,11,13-17,20-21H2,1-4H3,(H,34,39)/t27-/m1/s1
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1.30E+4n/an/an/an/an/an/an/an/a



CombiChem Inc.

Curated by ChEMBL


Assay Description
Inhibition of MMP-8


Bioorg Med Chem Lett 13: 2381-4 (2003)


BindingDB Entry DOI: 10.7270/Q26H4GS8
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50130102
PNG
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-2,3,...)
Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCC(=O)N1CCN(CC1)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C33H40N4O8S/c1-22-18-29(43-4)23(2)24(3)32(22)46(41,42)37(20-25-10-12-28-30(19-25)45-21-44-28)27(33(39)34-40)11-13-31(38)36-16-14-35(15-17-36)26-8-6-5-7-9-26/h5-10,12,18-19,27,40H,11,13-17,20-21H2,1-4H3,(H,34,39)/t27-/m1/s1
PDB
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PC cid
PC sid
UniChem

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PubMed
>4.00E+4n/an/an/an/an/an/an/an/a



CombiChem Inc.

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1


Bioorg Med Chem Lett 13: 2381-4 (2003)


BindingDB Entry DOI: 10.7270/Q26H4GS8
More data for this
Ligand-Target Pair