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Compile Data Set for Download or QSAR

Found 18 hits of ec50 data for polymerid = 111   
Target
(Institution)
LigandTarget
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
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50272470
PNG
((8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydrox...)
Show SMILES C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)NCC(C)(C)C)C(=O)CO
Show InChI InChI=1S/C28H40FNO6/c1-16-11-20-19-8-7-17-12-18(32)9-10-25(17,5)27(19,29)21(33)13-26(20,6)28(16,22(34)14-31)36-23(35)30-15-24(2,3)4/h9-10,12,16,19-21,31,33H,7-8,11,13-15H2,1-6H3,(H,30,35)/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1
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n/an/an/an/a 0.100n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid-mediated human MMP1 expression in PMA stimulated A549 cells assessed as MMP1 protein level by ELISA


Bioorg Med Chem 16: 7535-42 (2008)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50272468
PNG
((8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydrox...)
Show SMILES CCC(C)NC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO
Show InChI InChI=1S/C27H38FNO6/c1-6-16(3)29-23(34)35-27(22(33)14-30)15(2)11-20-19-8-7-17-12-18(31)9-10-24(17,4)26(19,28)21(32)13-25(20,27)5/h9-10,12,15-16,19-21,30,32H,6-8,11,13-14H2,1-5H3,(H,29,34)/t15-,16?,19-,20-,21-,24-,25-,26-,27-/m0/s1
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n/an/an/an/a 0.800n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid-mediated human MMP1 expression in PMA stimulated A549 cells assessed as MMP1 protein level by ELISA


Bioorg Med Chem 16: 7535-42 (2008)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50272520
PNG
((8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydrox...)
Show SMILES C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)NC1CCCCC1)C(=O)CO
Show InChI InChI=1S/C29H40FNO6/c1-17-13-22-21-10-9-18-14-20(33)11-12-26(18,2)28(21,30)23(34)15-27(22,3)29(17,24(35)16-32)37-25(36)31-19-7-5-4-6-8-19/h11-12,14,17,19,21-23,32,34H,4-10,13,15-16H2,1-3H3,(H,31,36)/t17-,21-,22-,23-,26-,27-,28-,29-/m0/s1
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n/an/an/an/a 1.30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid-mediated human MMP1 expression in PMA stimulated A549 cells assessed as MMP1 protein level by ELISA


Bioorg Med Chem 16: 7535-42 (2008)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50272434
PNG
((11beta,16beta)-9-Fluoro-11,21-dihydroxy-16-methyl...)
Show SMILES C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)NC(C)(C)C)C(=O)CO
Show InChI InChI=1S/C27H38FNO6/c1-15-11-19-18-8-7-16-12-17(31)9-10-24(16,5)26(18,28)20(32)13-25(19,6)27(15,21(33)14-30)35-22(34)29-23(2,3)4/h9-10,12,15,18-20,30,32H,7-8,11,13-14H2,1-6H3,(H,29,34)/t15-,18-,19-,20-,24-,25-,26-,27-/m0/s1
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n/an/an/an/a 1.60n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid-mediated human MMP1 expression in PMA stimulated A549 cells assessed as MMP1 protein level by ELISA


Bioorg Med Chem 16: 7535-42 (2008)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50272432
PNG
((11beta,16beta)-9-Fluoro-11,21-dihydroxy-16-methyl...)
Show SMILES CC(C)NC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO
Show InChI InChI=1S/C26H36FNO6/c1-14(2)28-22(33)34-26(21(32)13-29)15(3)10-19-18-7-6-16-11-17(30)8-9-23(16,4)25(18,27)20(31)12-24(19,26)5/h8-9,11,14-15,18-20,29,31H,6-7,10,12-13H2,1-5H3,(H,28,33)/t15-,18-,19-,20-,23-,24-,25-,26-/m0/s1
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n/an/an/an/a 1.90n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid-mediated human MMP1 expression in PMA stimulated A549 cells assessed as MMP1 protein level by ELISA


Bioorg Med Chem 16: 7535-42 (2008)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50272494
PNG
((11beta,16beta)-9-Fluoro-11,21-dihydroxy-16-methyl...)
Show SMILES C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)NC1CCCC1)C(=O)CO
Show InChI InChI=1S/C28H38FNO6/c1-16-12-21-20-9-8-17-13-19(32)10-11-25(17,2)27(20,29)22(33)14-26(21,3)28(16,23(34)15-31)36-24(35)30-18-6-4-5-7-18/h10-11,13,16,18,20-22,31,33H,4-9,12,14-15H2,1-3H3,(H,30,35)/t16-,20-,21-,22-,25-,26-,27-,28-/m0/s1
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n/an/an/an/a 2.80n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid-mediated human MMP1 expression in PMA stimulated A549 cells assessed as MMP1 protein level by ELISA


Bioorg Med Chem 16: 7535-42 (2008)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50272521
PNG
(Adamantan-1-yl-carbamic acid (8S,9R,10S,11S,13S,14...)
Show SMILES C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)CO
Show InChI InChI=1S/C33H44FNO6/c1-18-8-25-24-5-4-22-12-23(37)6-7-29(22,2)32(24,34)26(38)16-30(25,3)33(18,27(39)17-36)41-28(40)35-31-13-19-9-20(14-31)11-21(10-19)15-31/h6-7,12,18-21,24-26,36,38H,4-5,8-11,13-17H2,1-3H3,(H,35,40)/t18-,19?,20?,21?,24-,25-,26-,29-,30-,31?,32-,33-/m0/s1
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n/an/an/an/a 3.40n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid-mediated human MMP1 expression in PMA stimulated A549 cells assessed as MMP1 protein level by ELISA


Bioorg Med Chem 16: 7535-42 (2008)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50272523
PNG
((11beta,16beta)-9-Fluoro-11,21-dihydroxy-16-methyl...)
Show SMILES C[C@H](NC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO)c1ccccc1
Show InChI InChI=1S/C31H38FNO6/c1-18-14-24-23-11-10-21-15-22(35)12-13-28(21,3)30(23,32)25(36)16-29(24,4)31(18,26(37)17-34)39-27(38)33-19(2)20-8-6-5-7-9-20/h5-9,12-13,15,18-19,23-25,34,36H,10-11,14,16-17H2,1-4H3,(H,33,38)/t18-,19-,23-,24-,25-,28-,29-,30-,31-/m0/s1
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n/an/an/an/a 4.90n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid-mediated human MMP1 expression in PMA stimulated A549 cells assessed as MMP1 protein level by ELISA


Bioorg Med Chem 16: 7535-42 (2008)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50272397
PNG
((11beta,16beta)-9-Fluoro-11,21-dihydroxy-16-methyl...)
Show SMILES CCNC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO
Show InChI InChI=1S/C25H34FNO6/c1-5-27-21(32)33-25(20(31)13-28)14(2)10-18-17-7-6-15-11-16(29)8-9-22(15,3)24(17,26)19(30)12-23(18,25)4/h8-9,11,14,17-19,28,30H,5-7,10,12-13H2,1-4H3,(H,27,32)/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1
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n/an/an/an/a 15.9n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid-mediated human MMP1 expression in PMA stimulated A549 cells assessed as MMP1 protein level by ELISA


Bioorg Med Chem 16: 7535-42 (2008)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50272400
PNG
((8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydrox...)
Show SMILES CCCCCNC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO
Show InChI InChI=1S/C28H40FNO6/c1-5-6-7-12-30-24(35)36-28(23(34)16-31)17(2)13-21-20-9-8-18-14-19(32)10-11-25(18,3)27(20,29)22(33)15-26(21,28)4/h10-11,14,17,20-22,31,33H,5-9,12-13,15-16H2,1-4H3,(H,30,35)/t17-,20-,21-,22-,25-,26-,27-,28-/m0/s1
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n/an/an/an/a 18n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid-mediated human MMP1 expression in PMA stimulated A549 cells assessed as MMP1 protein level by ELISA


Bioorg Med Chem 16: 7535-42 (2008)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50272398
PNG
((11beta,16beta)-9-Fluoro-11,21-dihydroxy-16-methyl...)
Show SMILES CCCNC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO
Show InChI InChI=1S/C26H36FNO6/c1-5-10-28-22(33)34-26(21(32)14-29)15(2)11-19-18-7-6-16-12-17(30)8-9-23(16,3)25(18,27)20(31)13-24(19,26)4/h8-9,12,15,18-20,29,31H,5-7,10-11,13-14H2,1-4H3,(H,28,33)/t15-,18-,19-,20-,23-,24-,25-,26-/m0/s1
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n/an/an/an/a 18.7n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid-mediated human MMP1 expression in PMA stimulated A549 cells assessed as MMP1 protein level by ELISA


Bioorg Med Chem 16: 7535-42 (2008)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50272492
PNG
((8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydrox...)
Show SMILES C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)NCCC(C)(C)C)C(=O)CO
Show InChI InChI=1S/C29H42FNO6/c1-17-13-21-20-8-7-18-14-19(33)9-10-26(18,5)28(20,30)22(34)15-27(21,6)29(17,23(35)16-32)37-24(36)31-12-11-25(2,3)4/h9-10,14,17,20-22,32,34H,7-8,11-13,15-16H2,1-6H3,(H,31,36)/t17-,20-,21-,22-,26-,27-,28-,29-/m0/s1
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n/an/an/an/a 21n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid-mediated human MMP1 expression in PMA stimulated A549 cells assessed as MMP1 protein level by ELISA


Bioorg Med Chem 16: 7535-42 (2008)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50272522
PNG
((11beta,16beta)-9-Fluoro-11,21-dihydroxy-16-methyl...)
Show SMILES C[C@@H](NC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO)c1ccccc1
Show InChI InChI=1S/C31H38FNO6/c1-18-14-24-23-11-10-21-15-22(35)12-13-28(21,3)30(23,32)25(36)16-29(24,4)31(18,26(37)17-34)39-27(38)33-19(2)20-8-6-5-7-9-20/h5-9,12-13,15,18-19,23-25,34,36H,10-11,14,16-17H2,1-4H3,(H,33,38)/t18-,19+,23-,24-,25-,28-,29-,30-,31-/m0/s1
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n/an/an/an/a 21.5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid-mediated human MMP1 expression in PMA stimulated A549 cells assessed as MMP1 protein level by ELISA


Bioorg Med Chem 16: 7535-42 (2008)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50272399
PNG
((11beta,16beta)-9-Fluoro-11,21-dihydroxy-16-methyl...)
Show SMILES CCCCNC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO
Show InChI InChI=1S/C27H38FNO6/c1-5-6-11-29-23(34)35-27(22(33)15-30)16(2)12-20-19-8-7-17-13-18(31)9-10-24(17,3)26(19,28)21(32)14-25(20,27)4/h9-10,13,16,19-21,30,32H,5-8,11-12,14-15H2,1-4H3,(H,29,34)/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1
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n/an/an/an/a 22n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid-mediated human MMP1 expression in PMA stimulated A549 cells assessed as MMP1 protein level by ELISA


Bioorg Med Chem 16: 7535-42 (2008)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50272493
PNG
((8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydrox...)
Show SMILES C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)NC(C)(C)CC(C)(C)C)C(=O)CO
Show InChI InChI=1S/C31H46FNO6/c1-18-13-22-21-10-9-19-14-20(35)11-12-28(19,7)30(21,32)23(36)15-29(22,8)31(18,24(37)16-34)39-25(38)33-27(5,6)17-26(2,3)4/h11-12,14,18,21-23,34,36H,9-10,13,15-17H2,1-8H3,(H,33,38)/t18-,21-,22-,23-,28-,29-,30-,31-/m0/s1
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n/an/an/an/a 23.2n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid-mediated human MMP1 expression in PMA stimulated A549 cells assessed as MMP1 protein level by ELISA


Bioorg Med Chem 16: 7535-42 (2008)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50272433
PNG
((11beta,16beta)-9-Fluoro-11,21-dihydroxy-16-methyl...)
Show SMILES C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)NCC=C)C(=O)CO
Show InChI InChI=1S/C26H34FNO6/c1-5-10-28-22(33)34-26(21(32)14-29)15(2)11-19-18-7-6-16-12-17(30)8-9-23(16,3)25(18,27)20(31)13-24(19,26)4/h5,8-9,12,15,18-20,29,31H,1,6-7,10-11,13-14H2,2-4H3,(H,28,33)/t15-,18-,19-,20-,23-,24-,25-,26-/m0/s1
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MMDB

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n/an/an/an/a 39n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid-mediated human MMP1 expression in PMA stimulated A549 cells assessed as MMP1 protein level by ELISA


Bioorg Med Chem 16: 7535-42 (2008)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50272469
PNG
((8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydrox...)
Show SMILES CCC(C)(C)NC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO
Show InChI InChI=1S/C28H40FNO6/c1-7-24(3,4)30-23(35)36-28(22(34)15-31)16(2)12-20-19-9-8-17-13-18(32)10-11-25(17,5)27(19,29)21(33)14-26(20,28)6/h10-11,13,16,19-21,31,33H,7-9,12,14-15H2,1-6H3,(H,30,35)/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1
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n/an/an/an/a 53.3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid-mediated human MMP1 expression in PMA stimulated A549 cells assessed as MMP1 protein level by ELISA


Bioorg Med Chem 16: 7535-42 (2008)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50272435
PNG
((11beta,16beta)-9-Fluoro-11,21-dihydroxy-16-methyl...)
Show SMILES COC(=O)[C@H](C)NC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO
Show InChI InChI=1S/C27H36FNO8/c1-14-10-19-18-7-6-16-11-17(31)8-9-24(16,3)26(18,28)20(32)12-25(19,4)27(14,21(33)13-30)37-23(35)29-15(2)22(34)36-5/h8-9,11,14-15,18-20,30,32H,6-7,10,12-13H2,1-5H3,(H,29,35)/t14-,15-,18-,19-,20-,24-,25-,26-,27-/m0/s1
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Article
PubMed
n/an/an/an/a 83n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of glucocorticoid-mediated human MMP1 expression in PMA stimulated A549 cells assessed as MMP1 protein level by ELISA


Bioorg Med Chem 16: 7535-42 (2008)

More data for this
Ligand-Target Pair