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Compile Data Set for Download or QSAR

Found 5 hits of ic50 data for polymerid = 50003195   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ADAM12


(Homo sapiens)
BDBM50062351
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
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PubMed
n/an/a 5.93n/an/an/an/an/an/a



Department of Life Science and National Research Laboratory of Proteolysis

Curated by ChEMBL


Assay Description
Inhibition of A disintegrin and metalloproteinase domain 12 (ADAM12) binding in cell based assay


Bioorg Med Chem Lett 14: 6071-4 (2004)

More data for this
Ligand-Target Pair
ADAM12


(Homo sapiens)
BDBM50156477
PNG
(CHEMBL366034 | {3-(3-Bromo-phenyl)-2-[(furan-2-car...)
Show SMILES OC(=O)CNC(=O)C(\NC(=O)c1ccco1)=C/c1cccc(Br)c1
Show InChI InChI=1S/C16H13BrN2O5/c17-11-4-1-3-10(7-11)8-12(15(22)18-9-14(20)21)19-16(23)13-5-2-6-24-13/h1-8H,9H2,(H,18,22)(H,19,23)(H,20,21)/b12-8+
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n/an/a 16.7n/an/an/an/an/an/a



Department of Life Science and National Research Laboratory of Proteolysis

Curated by ChEMBL


Assay Description
Inhibition of A disintegrin and metalloproteinase domain 12 (ADAM12) binding in cell based assay


Bioorg Med Chem Lett 14: 6071-4 (2004)

More data for this
Ligand-Target Pair
ADAM12


(Homo sapiens)
BDBM50156475
PNG
(2-[2-[(5-Bromo-furan-2-carbonyl)-amino]-3-(4-bromo...)
Show SMILES CC(NC(=O)C(\NC(=O)c1ccc(Br)o1)=C/c1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C17H14Br2N2O5/c1-9(17(24)25)20-15(22)12(8-10-2-4-11(18)5-3-10)21-16(23)13-6-7-14(19)26-13/h2-9H,1H3,(H,20,22)(H,21,23)(H,24,25)/b12-8+
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n/an/a 24.8n/an/an/an/an/an/a



Department of Life Science and National Research Laboratory of Proteolysis

Curated by ChEMBL


Assay Description
Inhibition of A disintegrin and metalloproteinase domain 12 (ADAM12) binding in cell based assay


Bioorg Med Chem Lett 14: 6071-4 (2004)

More data for this
Ligand-Target Pair
ADAM12


(Homo sapiens)
BDBM50156476
PNG
(2-[2-Benzoylamino-3-(2-fluoro-phenyl)-acryloylamin...)
Show SMILES CC(C)C(NC(=O)C(\NC(=O)c1ccccc1)=C/c1ccccc1F)C(O)=O
Show InChI InChI=1S/C21H21FN2O4/c1-13(2)18(21(27)28)24-20(26)17(12-15-10-6-7-11-16(15)22)23-19(25)14-8-4-3-5-9-14/h3-13,18H,1-2H3,(H,23,25)(H,24,26)(H,27,28)/b17-12+
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n/an/a 40.5n/an/an/an/an/an/a



Department of Life Science and National Research Laboratory of Proteolysis

Curated by ChEMBL


Assay Description
Inhibition of A disintegrin and metalloproteinase domain 12 (ADAM12) binding in cell based assay


Bioorg Med Chem Lett 14: 6071-4 (2004)

More data for this
Ligand-Target Pair
ADAM12


(Homo sapiens)
BDBM50156478
PNG
(2-{2-[(Furan-2-carbonyl)-amino]-3-furan-2-yl-acryl...)
Show SMILES CC(NC(=O)C(\NC(=O)c1ccco1)=C/c1ccco1)C(O)=O
Show InChI InChI=1S/C15H14N2O6/c1-9(15(20)21)16-13(18)11(8-10-4-2-6-22-10)17-14(19)12-5-3-7-23-12/h2-9H,1H3,(H,16,18)(H,17,19)(H,20,21)/b11-8+
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n/an/a 42.3n/an/an/an/an/an/a



Department of Life Science and National Research Laboratory of Proteolysis

Curated by ChEMBL


Assay Description
Inhibition of A disintegrin and metalloproteinase domain 12 (ADAM12) binding in cell based assay


Bioorg Med Chem Lett 14: 6071-4 (2004)

More data for this
Ligand-Target Pair