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Compile Data Set for Download or QSAR

Found 361 hits with Last Name = 'marfat' and Initial = 'a'   
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
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50081533
PNG
(CHEMBL96224 | CP-199331 | N-{3-[(3R,4R)-6-(5,6-Dif...)
Show SMILES COc1ccc(NS(=O)(=O)C(F)(F)F)cc1C[C@@H]1COc2ccc(OCc3nc4cc(F)c(F)cc4s3)cc2[C@@H]1O
Show InChI InChI=1S/C26H21F5N2O6S2/c1-37-21-4-2-15(33-41(35,36)26(29,30)31)7-13(21)6-14-11-39-22-5-3-16(8-17(22)25(14)34)38-12-24-32-20-9-18(27)19(28)10-23(20)40-24/h2-5,7-10,14,25,33-34H,6,11-12H2,1H3/t14-,25-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for the binding of Cysteinyl leukotriene receptor 1 to guinea pig lung membranes


Bioorg Med Chem Lett 9: 2773-8 (1999)

More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50081532
PNG
(CHEMBL96206 | CP-199330 | N-{3-[(3R,4R)-6-(7-Chlor...)
Show SMILES COc1ccc(NS(=O)(=O)C(F)(F)F)cc1C[C@@H]1COc2ccc(OCc3ccc4ccc(Cl)cc4n3)cc2[C@@H]1O
Show InChI InChI=1S/C28H24ClF3N2O6S/c1-38-25-8-6-20(34-41(36,37)28(30,31)32)11-17(25)10-18-14-40-26-9-7-22(13-23(26)27(18)35)39-15-21-5-3-16-2-4-19(29)12-24(16)33-21/h2-9,11-13,18,27,34-35H,10,14-15H2,1H3/t18-,27-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for the binding of Cysteinyl leukotriene receptor 1 to guinea pig lung membranes


Bioorg Med Chem Lett 9: 2773-8 (1999)

More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50070919
PNG
(C,C,C-Trifluoro-N-{3-[(2R,3S,4R)-6-(5-fluoro-benzo...)
Show SMILES C[C@H]1Oc2ccc(OCc3nc4cc(F)ccc4s3)cc2[C@H](O)[C@@H]1Cc1cccc(NS(=O)(=O)C(F)(F)F)c1
Show InChI InChI=1S/C26H22F4N2O5S2/c1-14-19(10-15-3-2-4-17(9-15)32-39(34,35)26(28,29)30)25(33)20-12-18(6-7-22(20)37-14)36-13-24-31-21-11-16(27)5-8-23(21)38-24/h2-9,11-12,14,19,25,32-33H,10,13H2,1H3/t14-,19-,25-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonism of Cysteinyl leukotriene receptor 1 from guinea pig lung membranes


Bioorg Med Chem Lett 8: 3577-82 (1999)

More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50023198
PNG
(8-[4-(4-phenylbutyloxy)benzoyl]amino-2-(tetrazol-5...)
Show SMILES O=C(Nc1cccc2c1oc(cc2=O)-c1nnn[nH]1)c1ccc(OCCCCc2ccccc2)cc1
Show InChI InChI=1S/C27H23N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32)
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0.800n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for the binding of Cysteinyl leukotriene receptor 1 to guinea pig lung membranes


Bioorg Med Chem Lett 9: 2773-8 (1999)

More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50023198
PNG
(8-[4-(4-phenylbutyloxy)benzoyl]amino-2-(tetrazol-5...)
Show SMILES O=C(Nc1cccc2c1oc(cc2=O)-c1nnn[nH]1)c1ccc(OCCCCc2ccccc2)cc1
Show InChI InChI=1S/C27H23N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32)
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0.800n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonism of Cysteinyl leukotriene receptor 1 from guinea pig lung membranes


Bioorg Med Chem Lett 8: 3577-82 (1999)

More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50009073
PNG
(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
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2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for the binding of cysLT1 receptor to guinea pig lung membranes.


Bioorg Med Chem Lett 9: 2773-8 (1999)

More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50009073
PNG
(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
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2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonism of Cysteinyl leukotriene receptor 1 from guinea pig lung membranes


Bioorg Med Chem Lett 8: 3577-82 (1999)

More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50073277
PNG
(CHEMBL332680 | N-{3-[(3S,4R)-6-(5,6-Difluoro-benzo...)
Show SMILES COc1ccc(NS(=O)(=O)C(F)(F)F)cc1C[C@H]1[C@@H](O)c2cc(OCc3nc4cc(F)c(F)cc4s3)ccc2OC1(C)C
Show InChI InChI=1S/C28H25F5N2O6S2/c1-27(2)18(9-14-8-15(4-6-22(14)39-3)35-43(37,38)28(31,32)33)26(36)17-10-16(5-7-23(17)41-27)40-13-25-34-21-11-19(29)20(30)12-24(21)42-25/h4-8,10-12,18,26,35-36H,9,13H2,1-3H3/t18-,26-/m0/s1
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2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonism of Cysteinyl leukotriene receptor 1 from guinea pig lung membranes


Bioorg Med Chem Lett 8: 3577-82 (1999)

More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50009073
PNG
(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
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2.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-leukotriene D4 (LTD4) from receptor in guinea pig lung membranes


Bioorg Med Chem Lett 5: 1377-1382 (1995)

More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50073279
PNG
(CHEMBL119214 | N-{3-[(3S,4R)-6-(7-Chloro-quinolin-...)
Show SMILES COc1ccc(NS(=O)(=O)C(F)(F)F)cc1C[C@H]1[C@@H](O)c2cc(OCc3ccc4ccc(Cl)cc4n3)ccc2OC1(C)C
Show InChI InChI=1S/C30H28ClF3N2O6S/c1-29(2)24(13-18-12-20(8-10-26(18)40-3)36-43(38,39)30(32,33)34)28(37)23-15-22(9-11-27(23)42-29)41-16-21-7-5-17-4-6-19(31)14-25(17)35-21/h4-12,14-15,24,28,36-37H,13,16H2,1-3H3/t24-,28-/m0/s1
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4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonism of Cysteinyl leukotriene receptor 1 from guinea pig lung membranes


Bioorg Med Chem Lett 8: 3577-82 (1999)

More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50073276
PNG
(CHEMBL120200 | N-{4-Chloro-3-[(3S,4R)-6-(5,6-diflu...)
Show SMILES CC1(C)Oc2ccc(OCc3nc4cc(F)c(F)cc4s3)cc2[C@H](O)[C@@H]1Cc1cc(NS(=O)(=O)C(F)(F)F)ccc1Cl
Show InChI InChI=1S/C27H22ClF5N2O5S2/c1-26(2)17(8-13-7-14(3-5-18(13)28)35-42(37,38)27(31,32)33)25(36)16-9-15(4-6-22(16)40-26)39-12-24-34-21-10-19(29)20(30)11-23(21)41-24/h3-7,9-11,17,25,35-36H,8,12H2,1-2H3/t17-,25-/m0/s1
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4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonism of Cysteinyl leukotriene receptor 1 from guinea pig lung membranes


Bioorg Med Chem Lett 8: 3577-82 (1999)

More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50073275
PNG
(CHEMBL331884 | N-(3-{(3S,4R)-6-[(E)-2-(7-Chloro-qu...)
Show SMILES COc1ccc(NS(=O)(=O)C(F)(F)F)cc1C[C@H]1[C@@H](O)c2cc(\C=C\c3ccc4ccc(Cl)cc4n3)ccc2OC1(C)C
Show InChI InChI=1S/C31H28ClF3N2O5S/c1-30(2)25(16-20-15-23(11-13-27(20)41-3)37-43(39,40)31(33,34)35)29(38)24-14-18(5-12-28(24)42-30)4-9-22-10-7-19-6-8-21(32)17-26(19)36-22/h4-15,17,25,29,37-38H,16H2,1-3H3/b9-4+/t25-,29-/m0/s1
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5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonism of Cysteinyl leukotriene receptor 1 from guinea pig lung membranes


Bioorg Med Chem Lett 8: 3577-82 (1999)

More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50004633
PNG
((S)-4-(2-Chloro-phenyl)-6-methyl-2-[4-(2-methyl-im...)
Show SMILES CCOC(=O)C1=C(N=C(C)C(C1c1ccccc1Cl)C(=O)Nc1ccccn1)c1ccc(cc1)-n1c(C)nc2cnccc12
Show InChI InChI=1S/C34H29ClN6O3/c1-4-44-34(43)31-30(24-9-5-6-10-25(24)35)29(33(42)40-28-11-7-8-17-37-28)20(2)38-32(31)22-12-14-23(15-13-22)41-21(3)39-26-19-36-18-16-27(26)41/h5-19,29-30H,4H2,1-3H3,(H,37,40,42)
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5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-ligand from platelet activating factor (PAF) receptor in rabbit platelets


Bioorg Med Chem Lett 5: 1377-1382 (1995)

More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50073278
PNG
(CHEMBL331747 | N-{3-[(3S,4R)-6-(5,6-Difluoro-benzo...)
Show SMILES CC1(C)Oc2ccc(OCc3nc4cc(F)c(F)cc4s3)cc2[C@H](O)[C@@H]1Cc1cccc(NS(=O)(=O)C(F)(F)F)c1
Show InChI InChI=1S/C27H23F5N2O5S2/c1-26(2)18(9-14-4-3-5-15(8-14)34-41(36,37)27(30,31)32)25(35)17-10-16(6-7-22(17)39-26)38-13-24-33-21-11-19(28)20(29)12-23(21)40-24/h3-8,10-12,18,25,34-35H,9,13H2,1-2H3/t18-,25-/m0/s1
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7n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonism of Cysteinyl leukotriene receptor 1 from guinea pig lung membranes


Bioorg Med Chem Lett 8: 3577-82 (1999)

More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50070921
PNG
(3-[(3R,4R)-6-(5-Fluoro-benzothiazol-2-ylmethoxy)-4...)
Show SMILES O[C@@H]1[C@H](Cc2cccc(c2)C(O)=O)COc2ccc(OCc3nc4cc(F)ccc4s3)cc12
Show InChI InChI=1S/C25H20FNO5S/c26-17-4-7-22-20(10-17)27-23(33-22)13-31-18-5-6-21-19(11-18)24(28)16(12-32-21)9-14-2-1-3-15(8-14)25(29)30/h1-8,10-11,16,24,28H,9,12-13H2,(H,29,30)/t16-,24-/m1/s1
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14n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonism of Cysteinyl leukotriene receptor 1 from guinea pig lung membranes


Bioorg Med Chem Lett 8: 3577-82 (1999)

More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50284689
PNG
(7-Chloro-2-((E)-2-{3-[4-(2-methyl-imidazo[4,5-c]py...)
Show SMILES Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3ccc4ccc(Cl)cc4n3)c2)cc1
Show InChI InChI=1S/C31H23ClN4O/c1-21-34-30-19-33-16-15-31(30)36(21)27-11-13-28(14-12-27)37-20-23-4-2-3-22(17-23)5-9-26-10-7-24-6-8-25(32)18-29(24)35-26/h2-19H,20H2,1H3/b9-5+
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20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-LTD4 from receptor in guinea pig lung membranes


Bioorg Med Chem Lett 5: 1377-1382 (1995)

More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50284689
PNG
(7-Chloro-2-((E)-2-{3-[4-(2-methyl-imidazo[4,5-c]py...)
Show SMILES Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3ccc4ccc(Cl)cc4n3)c2)cc1
Show InChI InChI=1S/C31H23ClN4O/c1-21-34-30-19-33-16-15-31(30)36(21)27-11-13-28(14-12-27)37-20-23-4-2-3-22(17-23)5-9-26-10-7-24-6-8-25(32)18-29(24)35-26/h2-19H,20H2,1H3/b9-5+
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24n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-ligand from platelet activating factor (PAF) receptor in rabbit platelets


Bioorg Med Chem Lett 5: 1377-1382 (1995)

More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50284691
PNG
(2-(2-{3-[4-(2-Methyl-imidazo[4,5-c]pyridin-1-yl)-p...)
Show SMILES Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3ccc4ccccc4n3)c2)cc1
Show InChI InChI=1S/C31H24N4O/c1-22-33-30-20-32-18-17-31(30)35(22)27-13-15-28(16-14-27)36-21-24-6-4-5-23(19-24)9-11-26-12-10-25-7-2-3-8-29(25)34-26/h2-20H,21H2,1H3/b11-9+
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29n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-ligand from platelet activating factor (PAF) receptor in rabbit platelets


Bioorg Med Chem Lett 5: 1377-1382 (1995)

More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50284690
PNG
(1-(4-{3-[(E)-2-(5-Fluoro-benzothiazol-2-yl)-vinyl]...)
Show SMILES Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3nc4cc(F)ccc4s3)c2)cc1
Show InChI InChI=1S/C29H21FN4OS/c1-19-32-26-17-31-14-13-27(26)34(19)23-7-9-24(10-8-23)35-18-21-4-2-3-20(15-21)5-12-29-33-25-16-22(30)6-11-28(25)36-29/h2-17H,18H2,1H3/b12-5+
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34n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-leukotriene D4 (LTD4) from receptor in guinea pig lung membranes


Bioorg Med Chem Lett 5: 1377-1382 (1995)

More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Cavia porcellus)
BDBM50284690
PNG
(1-(4-{3-[(E)-2-(5-Fluoro-benzothiazol-2-yl)-vinyl]...)
Show SMILES Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3nc4cc(F)ccc4s3)c2)cc1
Show InChI InChI=1S/C29H21FN4OS/c1-19-32-26-17-31-14-13-27(26)34(19)23-7-9-24(10-8-23)35-18-21-4-2-3-20(15-21)5-12-29-33-25-16-22(30)6-11-28(25)36-29/h2-17H,18H2,1H3/b12-5+
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37n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-ligand from platelet activating factor (PAF) receptor in rabbit platelets


Bioorg Med Chem Lett 5: 1377-1382 (1995)

More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50284691
PNG
(2-(2-{3-[4-(2-Methyl-imidazo[4,5-c]pyridin-1-yl)-p...)
Show SMILES Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3ccc4ccccc4n3)c2)cc1
Show InChI InChI=1S/C31H24N4O/c1-22-33-30-20-32-18-17-31(30)35(22)27-13-15-28(16-14-27)36-21-24-6-4-5-23(19-24)9-11-26-12-10-25-7-2-3-8-29(25)34-26/h2-20H,21H2,1H3/b11-9+
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73n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-leukotriene D4 (LTD4) from receptor in guinea pig lung membranes


Bioorg Med Chem Lett 5: 1377-1382 (1995)

More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50284686
PNG
((3S,4S)-6-(6-Methyl-5-nitro-pyridin-2-ylmethoxy)-3...)
Show SMILES Cc1nc(COc2ccc3OC[C@H](Cc4cccnc4)[C@H](O)c3c2)ccc1[N+]([O-])=O
Show InChI InChI=1S/C22H21N3O5/c1-14-20(25(27)28)6-4-17(24-14)13-29-18-5-7-21-19(10-18)22(26)16(12-30-21)9-15-3-2-8-23-11-15/h2-8,10-11,16,22,26H,9,12-13H2,1H3/t16-,22-/m0/s1
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240n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-leukotriene D4 binding to LTD4 receptor in guinea pig lung membranes


Bioorg Med Chem Lett 5: 1371-1376 (1995)

More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50286748
PNG
((3R,4S)-3-Pyridin-2-ylmethyl-7-(1-quinolin-2-yl-et...)
Show SMILES CC(Oc1ccc2[C@@H](O)[C@H](Cc3ccccn3)COc2c1)c1ccc2ccccc2n1
Show InChI InChI=1S/C26H24N2O3/c1-17(23-12-9-18-6-2-3-8-24(18)28-23)31-21-10-11-22-25(15-21)30-16-19(26(22)29)14-20-7-4-5-13-27-20/h2-13,15,17,19,26,29H,14,16H2,1H3/t17?,19-,26+/m1/s1
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240n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil leukotriene B4 (LTB4)


Bioorg Med Chem Lett 5: 887-892 (1995)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50365344
PNG
(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
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250n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human norepinephrine transporter


J Med Chem 55: 914-23 (2012)

More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50001610
PNG
(7-[3-(4-Acetyl-3-methoxy-2-propyl-phenoxy)-propoxy...)
Show SMILES CCCc1c(OCCCOc2ccc3CCC(Oc3c2CCC)C(O)=O)ccc(C(C)=O)c1OC
Show InChI InChI=1S/C28H36O7/c1-5-8-21-23(13-10-19-11-14-25(28(30)31)35-26(19)21)33-16-7-17-34-24-15-12-20(18(3)29)27(32-4)22(24)9-6-2/h10,12-13,15,25H,5-9,11,14,16-17H2,1-4H3,(H,30,31)
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280n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro antagonist activity against leukotriene B4 (LTB4) receptor in [3H]-LTB4 human neutrophil receptor binding assay


Bioorg Med Chem Lett 5: 887-892 (1995)

More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50286747
PNG
((3R,4S)-3-Pyridin-3-ylmethyl-7-((R)-1-quinolin-2-y...)
Show SMILES C[C@@H](Oc1ccc2[C@@H](O)[C@H](Cc3cccnc3)COc2c1)c1ccc2ccccc2n1
Show InChI InChI=1S/C26H24N2O3/c1-17(23-11-8-19-6-2-3-7-24(19)28-23)31-21-9-10-22-25(14-21)30-16-20(26(22)29)13-18-5-4-12-27-15-18/h2-12,14-15,17,20,26,29H,13,16H2,1H3/t17-,20-,26+/m1/s1
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330n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil leukotriene B4 (LTB4)


Bioorg Med Chem Lett 5: 887-892 (1995)

More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50284680
PNG
((3S,4S)-3-Pyridin-3-ylmethyl-6-(quinolin-2-ylmetho...)
Show SMILES O[C@H]1[C@@H](Cc2cccnc2)COc2ccc(OCc3ccc4ccccc4n3)cc12
Show InChI InChI=1S/C25H22N2O3/c28-25-19(12-17-4-3-11-26-14-17)15-30-24-10-9-21(13-22(24)25)29-16-20-8-7-18-5-1-2-6-23(18)27-20/h1-11,13-14,19,25,28H,12,15-16H2/t19-,25-/m0/s1
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650n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTD4 binding to LTD4 receptor in guinea pig lung membranes


Bioorg Med Chem Lett 5: 1365-1370 (1995)

More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50286750
PNG
((3R,4S)-3-Pyridin-3-ylmethyl-6-(quinolin-2-ylmetho...)
Show SMILES O[C@H]1[C@H](Cc2cccnc2)COc2ccc(OCc3ccc4ccccc4n3)cc12
Show InChI InChI=1S/C25H22N2O3/c28-25-19(12-17-4-3-11-26-14-17)15-30-24-10-9-21(13-22(24)25)29-16-20-8-7-18-5-1-2-6-23(18)27-20/h1-11,13-14,19,25,28H,12,15-16H2/t19-,25+/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against leukotriene D4 receptor


Bioorg Med Chem Lett 5: 887-892 (1995)

More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50286746
PNG
((3S,4S)-3-Pyridin-3-ylmethyl-7-(quinolin-2-ylmetho...)
Show SMILES O[C@H]1[C@@H](Cc2cccnc2)COc2cc(OCc3ccc4ccccc4n3)ccc12
Show InChI InChI=1S/C25H22N2O3/c28-25-19(12-17-4-3-11-26-14-17)15-30-24-13-21(9-10-22(24)25)29-16-20-8-7-18-5-1-2-6-23(18)27-20/h1-11,13-14,19,25,28H,12,15-16H2/t19-,25-/m0/s1
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1.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against leukotriene D4 receptor


Bioorg Med Chem Lett 5: 887-892 (1995)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50365344
PNG
(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
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1.35E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP12


J Med Chem 55: 914-23 (2012)

More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50284682
PNG
(2-Benzyl-7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahyd...)
Show SMILES O[C@H]1[C@H](Cc2ccccc2)CCc2ccc(OCc3ccc4ccccc4n3)cc12
Show InChI InChI=1S/C27H25NO2/c29-27-22(16-19-6-2-1-3-7-19)11-10-20-13-15-24(17-25(20)27)30-18-23-14-12-21-8-4-5-9-26(21)28-23/h1-9,12-15,17,22,27,29H,10-11,16,18H2/t22-,27-/m0/s1
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1.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTD4 binding to LTD4 receptor in guinea pig lung membranes


Bioorg Med Chem Lett 5: 1365-1370 (1995)

More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50284685
PNG
((3S,4S)-6-(5-Bromo-6-methyl-pyridin-2-ylmethoxy)-3...)
Show SMILES Cc1nc(COc2ccc3OC[C@H](Cc4cccnc4)[C@H](O)c3c2)ccc1Br
Show InChI InChI=1S/C22H21BrN2O3/c1-14-20(23)6-4-17(25-14)13-27-18-5-7-21-19(10-18)22(26)16(12-28-21)9-15-3-2-8-24-11-15/h2-8,10-11,16,22,26H,9,12-13H2,1H3/t16-,22-/m0/s1
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1.56E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-leukotriene D4 binding to LTD4 receptor in guinea pig lung membranes


Bioorg Med Chem Lett 5: 1371-1376 (1995)

More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50284680
PNG
((3S,4S)-3-Pyridin-3-ylmethyl-6-(quinolin-2-ylmetho...)
Show SMILES O[C@H]1[C@@H](Cc2cccnc2)COc2ccc(OCc3ccc4ccccc4n3)cc12
Show InChI InChI=1S/C25H22N2O3/c28-25-19(12-17-4-3-11-26-14-17)15-30-24-10-9-21(13-22(24)25)29-16-20-8-7-18-5-1-2-6-23(18)27-20/h1-11,13-14,19,25,28H,12,15-16H2/t19-,25-/m0/s1
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1.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukotriene D4 (LTD4)


Bioorg Med Chem Lett 5: 887-892 (1995)

More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50284680
PNG
((3S,4S)-3-Pyridin-3-ylmethyl-6-(quinolin-2-ylmetho...)
Show SMILES O[C@H]1[C@@H](Cc2cccnc2)COc2ccc(OCc3ccc4ccccc4n3)cc12
Show InChI InChI=1S/C25H22N2O3/c28-25-19(12-17-4-3-11-26-14-17)15-30-24-10-9-21(13-22(24)25)29-16-20-8-7-18-5-1-2-6-23(18)27-20/h1-11,13-14,19,25,28H,12,15-16H2/t19-,25-/m0/s1
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1.64E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-leukotriene D4 binding to LTD4 receptor in guinea pig lung membranes


Bioorg Med Chem Lett 5: 1371-1376 (1995)

More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50286743
PNG
((3R,4S)-3-Pyridin-3-ylmethyl-7-((S)-1-quinolin-2-y...)
Show SMILES C[C@H](Oc1ccc2[C@@H](O)[C@H](Cc3cccnc3)COc2c1)c1ccc2ccccc2n1
Show InChI InChI=1S/C26H24N2O3/c1-17(23-11-8-19-6-2-3-7-24(19)28-23)31-21-9-10-22-25(14-21)30-16-20(26(22)29)13-18-5-4-12-27-15-18/h2-12,14-15,17,20,26,29H,13,16H2,1H3/t17-,20+,26-/m0/s1
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1.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil leukotriene B4 (LTB4)


Bioorg Med Chem Lett 5: 887-892 (1995)

More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50286745
PNG
((3S,4S)-3-Pyridin-2-ylmethyl-7-(1-quinolin-2-yl-et...)
Show SMILES CC(Oc1ccc2[C@@H](O)[C@@H](Cc3ccccn3)COc2c1)c1ccc2ccccc2n1
Show InChI InChI=1S/C26H24N2O3/c1-17(23-12-9-18-6-2-3-8-24(18)28-23)31-21-10-11-22-25(15-21)30-16-19(26(22)29)14-20-7-4-5-13-27-20/h2-13,15,17,19,26,29H,14,16H2,1H3/t17?,19-,26-/m0/s1
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3.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil leukotriene B4 (LTB4)


Bioorg Med Chem Lett 5: 887-892 (1995)

More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50286744
PNG
((3R,4S)-3-Pyridin-3-ylmethyl-7-(quinolin-2-ylmetho...)
Show SMILES O[C@H]1[C@H](Cc2cccnc2)COc2cc(OCc3ccc4ccccc4n3)ccc12
Show InChI InChI=1S/C25H22N2O3/c28-25-19(12-17-4-3-11-26-14-17)15-30-24-13-21(9-10-22(24)25)29-16-20-8-7-18-5-1-2-6-23(18)27-20/h1-11,13-14,19,25,28H,12,15-16H2/t19-,25+/m1/s1
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4.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against leukotriene D4 receptor


Bioorg Med Chem Lett 5: 887-892 (1995)

More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50286749
PNG
((3S,4S)-3-Pyridin-3-ylmethyl-7-(1-quinolin-2-yl-et...)
Show SMILES CC(Oc1ccc2[C@@H](O)[C@@H](Cc3cccnc3)COc2c1)c1ccc2ccccc2n1
Show InChI InChI=1S/C26H24N2O3/c1-17(23-11-8-19-6-2-3-7-24(19)28-23)31-21-9-10-22-25(14-21)30-16-20(26(22)29)13-18-5-4-12-27-15-18/h2-12,14-15,17,20,26,29H,13,16H2,1H3/t17?,20-,26-/m0/s1
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5.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil leukotriene B4 (LTB4)


Bioorg Med Chem Lett 5: 887-892 (1995)

More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50284681
PNG
(2-Butyl-7-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydr...)
Show SMILES CCCCC1CCc2ccc(OCc3ccc4ccccc4n3)cc2C1O
Show InChI InChI=1S/C24H27NO2/c1-2-3-6-19-10-9-17-12-14-21(15-22(17)24(19)26)27-16-20-13-11-18-7-4-5-8-23(18)25-20/h4-5,7-8,11-15,19,24,26H,2-3,6,9-10,16H2,1H3
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6.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTD4 binding to LTD4 receptor in guinea pig lung membranes


Bioorg Med Chem Lett 5: 1365-1370 (1995)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50365344
PNG
(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
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7.73E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP13


J Med Chem 55: 914-23 (2012)

More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50012434
PNG
((REV-5,901)1-[3-(Quinolin-2-ylmethoxy)-phenyl]-hex...)
Show SMILES CCCCCC(O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C22H25NO2/c1-2-3-4-12-22(24)18-9-7-10-20(15-18)25-16-19-14-13-17-8-5-6-11-21(17)23-19/h5-11,13-15,22,24H,2-4,12,16H2,1H3
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8.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTD4 binding to LTD4 receptor in guinea pig lung membranes


Bioorg Med Chem Lett 5: 1365-1370 (1995)

More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50012434
PNG
((REV-5,901)1-[3-(Quinolin-2-ylmethoxy)-phenyl]-hex...)
Show SMILES CCCCCC(O)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C22H25NO2/c1-2-3-4-12-22(24)18-9-7-10-20(15-18)25-16-19-14-13-17-8-5-6-11-21(17)23-19/h5-11,13-15,22,24H,2-4,12,16H2,1H3
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8.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-leukotriene D4 binding to LTD4 receptor in guinea pig lung membranes


Bioorg Med Chem Lett 5: 1371-1376 (1995)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-20


(Homo sapiens)
BDBM50365344
PNG
(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP20


J Med Chem 55: 914-23 (2012)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-24


(Homo sapiens)
BDBM50365344
PNG
(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP24


J Med Chem 55: 914-23 (2012)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-25


(Homo sapiens (Human))
BDBM50365344
PNG
(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP25


J Med Chem 55: 914-23 (2012)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 26


(Homo sapiens)
BDBM50365344
PNG
(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP26


J Med Chem 55: 914-23 (2012)

More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50365344
PNG
(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human TACE


J Med Chem 55: 914-23 (2012)

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


(homo sapiens (human))
BDBM50365344
PNG
(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP1


J Med Chem 55: 914-23 (2012)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50365344
PNG
(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP2


J Med Chem 55: 914-23 (2012)

More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50365344
PNG
(CHEMBL1956115)
Show SMILES C[C@@](CCc1ccc(cc1)-c1ccccc1)(C(=O)NO)S(C)(=O)=O
Show InChI InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP3


J Med Chem 55: 914-23 (2012)

More data for this
Ligand-Target Pair
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