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Compile Data Set for Download or QSAR

Found 83 hits with Last Name = 'leon' and Initial = 'c'   
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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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130n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine form human cloned 5HT2C receptor expressed in african green monkey COS7 cells by scintillation spectroscopy


J Nat Prod 65: 476-80 (2002)


BindingDB Entry DOI: 10.7270/Q2QC0379
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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320n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone form human cloned 5HT2A receptor expressed in african green monkey COS7 cells by scintillation spectroscopy


J Nat Prod 65: 476-80 (2002)


BindingDB Entry DOI: 10.7270/Q2QC0379
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50250840
PNG
(5-(6-Bromo-1H-indol-3-ylmethylene)-2-imino-1,3-dim...)
Show SMILES CN1C(=N)N(C)\C(=C\c2c[nH]c3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C14H13BrN4O/c1-18-12(13(20)19(2)14(18)16)5-8-7-17-11-6-9(15)3-4-10(8)11/h3-7,16-17H,1-2H3/b12-5+,16-14?
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330n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine form human cloned 5HT2C receptor expressed in african green monkey COS7 cells by scintillation spectroscopy


J Nat Prod 65: 476-80 (2002)


BindingDB Entry DOI: 10.7270/Q2QC0379
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50250841
PNG
(CHEMBL463250 | N-3'-ethylaplysinopsin)
Show SMILES CC\N=C1/N(C)C(=O)\C(=C/c2c[nH]c3ccccc23)N1C
Show InChI InChI=1S/C16H18N4O/c1-4-17-16-19(2)14(15(21)20(16)3)9-11-10-18-13-8-6-5-7-12(11)13/h5-10,18H,4H2,1-3H3/b14-9+,17-16-
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1.70E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone form human cloned 5HT2A receptor expressed in african green monkey COS7 cells by scintillation spectroscopy


J Nat Prod 65: 476-80 (2002)


BindingDB Entry DOI: 10.7270/Q2QC0379
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50250840
PNG
(5-(6-Bromo-1H-indol-3-ylmethylene)-2-imino-1,3-dim...)
Show SMILES CN1C(=N)N(C)\C(=C\c2c[nH]c3cc(Br)ccc23)C1=O
Show InChI InChI=1S/C14H13BrN4O/c1-18-12(13(20)19(2)14(18)16)5-8-7-17-11-6-9(15)3-4-10(8)11/h3-7,16-17H,1-2H3/b12-5+,16-14?
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2.00E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone form human cloned 5HT2A receptor expressed in african green monkey COS7 cells by scintillation spectroscopy


J Nat Prod 65: 476-80 (2002)


BindingDB Entry DOI: 10.7270/Q2QC0379
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50250839
PNG
(6-bromo-2'-de-N-methylaplysinopsin | CHEMBL2058413...)
Show SMILES CN1C(N)=NC(=Cc2c[nH]c3cc(Br)ccc23)C1=O |w:6.6,c:3|
Show InChI InChI=1S/C13H11BrN4O/c1-18-12(19)11(17-13(18)15)4-7-6-16-10-5-8(14)2-3-9(7)10/h2-6,16H,1H3,(H2,15,17)
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2.30E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine form human cloned 5HT2C receptor expressed in african green monkey COS7 cells by scintillation spectroscopy


J Nat Prod 65: 476-80 (2002)


BindingDB Entry DOI: 10.7270/Q2QC0379
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50250841
PNG
(CHEMBL463250 | N-3'-ethylaplysinopsin)
Show SMILES CC\N=C1/N(C)C(=O)\C(=C/c2c[nH]c3ccccc23)N1C
Show InChI InChI=1S/C16H18N4O/c1-4-17-16-19(2)14(15(21)20(16)3)9-11-10-18-13-8-6-5-7-12(11)13/h5-10,18H,4H2,1-3H3/b14-9+,17-16-
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3.50E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine form human cloned 5HT2C receptor expressed in african green monkey COS7 cells by scintillation spectroscopy


J Nat Prod 65: 476-80 (2002)


BindingDB Entry DOI: 10.7270/Q2QC0379
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50250839
PNG
(6-bromo-2'-de-N-methylaplysinopsin | CHEMBL2058413...)
Show SMILES CN1C(N)=NC(=Cc2c[nH]c3cc(Br)ccc23)C1=O |w:6.6,c:3|
Show InChI InChI=1S/C13H11BrN4O/c1-18-12(19)11(17-13(18)15)4-7-6-16-10-5-8(14)2-3-9(7)10/h2-6,16H,1H3,(H2,15,17)
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>1.00E+5n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone form human cloned 5HT2A receptor expressed in african green monkey COS7 cells by scintillation spectroscopy


J Nat Prod 65: 476-80 (2002)


BindingDB Entry DOI: 10.7270/Q2QC0379
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50070228
PNG
(2-(2-Mercapto-acetyl)-nonanoic acid ((S)-2,2-dimet...)
Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@H](C(=O)NC)C(C)(C)C
Show InChI InChI=1S/C18H34N2O3S/c1-6-7-8-9-10-11-13(14(21)12-24)16(22)20-15(17(23)19-5)18(2,3)4/h13,15,24H,6-12H2,1-5H3,(H,19,23)(H,20,22)/t13?,15-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against gelatinase-B(MMP-9).


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50339190
PNG
(CHEMBL443683 | telomestatin)
Show SMILES Cc1oc2nc1c1nc(co1)c1nc(co1)c1nc(co1)c1nc(co1)c1nc(co1)c1SCc(n1)c1[nH]c2c(C)o1
Show InChI InChI=1S/C26H14N8O7S/c1-9-17-24-30-14(6-39-24)21-28-12(4-37-21)19-27-11(3-35-19)20-29-13(5-36-20)22-31-15(7-38-22)26-32-16(8-42-26)23-33-18(10(2)40-23)25(34-17)41-9/h3-7,33H,8H2,1-2H3/b20-11+,21-14+,26-15+
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n/an/a 0.700n/an/an/an/an/an/a



Universita` degli Studi La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human Telomerase activity in cell free system by TRAP assay


J Med Chem 54: 1140-56 (2011)


Article DOI: 10.1021/jm1013665
BindingDB Entry DOI: 10.7270/Q2GB24CR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50070247
PNG
(2-(2-Mercapto-acetyl)-nonanoic acid ((S)-2-cyclohe...)
Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C28H44N2O3S/c1-2-3-4-5-12-17-24(26(31)21-34)27(32)30-25(20-23-15-10-7-11-16-23)28(33)29-19-18-22-13-8-6-9-14-22/h6,8-9,13-14,23-25,34H,2-5,7,10-12,15-21H2,1H3,(H,29,33)(H,30,32)/t24?,25-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against gelatinase-B(MMP-9).


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50070227
PNG
(2-(2-Mercapto-acetyl)-nonanoic acid ((S)-3-methyl-...)
Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1
Show InChI InChI=1S/C23H36N2O3S/c1-4-5-6-7-11-14-19(21(26)16-29)22(27)25-20(15-17(2)3)23(28)24-18-12-9-8-10-13-18/h8-10,12-13,17,19-20,29H,4-7,11,14-16H2,1-3H3,(H,24,28)(H,25,27)/t19?,20-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against gelatinase-B(MMP-9).


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50070250
PNG
(2-(1-Hydroxy-2-mercapto-ethyl)-5-phenyl-pentanoic ...)
Show SMILES OC(CS)C(CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C30H42N2O3S/c33-28(22-36)26(18-10-17-23-11-4-1-5-12-23)29(34)32-27(21-25-15-8-3-9-16-25)30(35)31-20-19-24-13-6-2-7-14-24/h1-2,4-7,11-14,25-28,33,36H,3,8-10,15-22H2,(H,31,35)(H,32,34)/t26?,27-,28?/m0/s1
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n/an/a>2n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50070226
PNG
(2-(2-Mercapto-acetyl)-nonanoic acid {(S)-2-cyclohe...)
Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C28H45N3O5S2/c1-2-3-4-5-9-12-24(26(32)20-37)27(33)31-25(19-22-10-7-6-8-11-22)28(34)30-18-17-21-13-15-23(16-14-21)38(29,35)36/h13-16,22,24-25,37H,2-12,17-20H2,1H3,(H,30,34)(H,31,33)(H2,29,35,36)/t24?,25-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against gelatinase-B(MMP-9).


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50070223
PNG
(2-(2-Mercapto-acetyl)-nonanoic acid ((S)-3-methyl-...)
Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C25H40N2O3S/c1-4-5-6-7-11-14-21(23(28)18-31)24(29)27-22(17-19(2)3)25(30)26-16-15-20-12-9-8-10-13-20/h8-10,12-13,19,21-22,31H,4-7,11,14-18H2,1-3H3,(H,26,30)(H,27,29)/t21?,22-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against gelatinase-B(MMP-9).


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM12041
PNG
((2S)-2-({5-[(diaminomethylidene)amino]-1-oxopentan...)
Show SMILES CC(C)C[C@H](NC(CCCNC(N)=N)C=O)C(=O)NC(=O)[C@H](CC(C)C)NC(C)=O |r|
Show InChI InChI=1S/C20H38N6O4/c1-12(2)9-16(24-14(5)28)18(29)26-19(30)17(10-13(3)4)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17,25H,6-10H2,1-5H3,(H,24,28)(H4,21,22,23)(H,26,29,30)/t15?,16-,17-/m0/s1
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n/an/a 5.80n/an/an/an/a5.522



Universidad Central de Venezuela



Assay Description
The substrate peptide terminating in AMC is processed by falcipain-2 with or without inhibitors, and the accumulation of AMC was monitored in a Labsy...


J Med Chem 48: 3654-8 (2005)


Article DOI: 10.1021/jm058208o
BindingDB Entry DOI: 10.7270/Q2GF0RRD
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50070229
PNG
(2-(2-Mercapto-acetyl)-4-methyl-pentanoic acid ((S)...)
Show SMILES CNC(=O)[C@@H](NC(=O)C(CC(C)C)C(=O)CS)C(C)(C)C
Show InChI InChI=1S/C15H28N2O3S/c1-9(2)7-10(11(18)8-21)13(19)17-12(14(20)16-6)15(3,4)5/h9-10,12,21H,7-8H2,1-6H3,(H,16,20)(H,17,19)/t10?,12-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against gelatinase-B(MMP-9).


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50070239
PNG
(2-(2-Mercapto-acetyl)-nonanoic acid [(S)-3-methyl-...)
Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C23H43N3O4S/c1-4-5-6-7-8-9-19(21(27)17-31)22(28)25-20(16-18(2)3)23(29)24-10-11-26-12-14-30-15-13-26/h18-20,31H,4-17H2,1-3H3,(H,24,29)(H,25,28)/t19?,20-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against gelatinase-B(MMP-9).


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50070235
PNG
(2-(1-Hydroxy-2-mercapto-ethyl)-nonanoic acid [(S)-...)
Show SMILES CCCCCCCC(C(O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C23H45N3O4S/c1-4-5-6-7-8-9-19(21(27)17-31)22(28)25-20(16-18(2)3)23(29)24-10-11-26-12-14-30-15-13-26/h18-21,27,31H,4-17H2,1-3H3,(H,24,29)(H,25,28)/t19?,20-,21?/m0/s1
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n/an/a>10n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against collagenase-1(MMP-1).


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50070233
PNG
(2-(1-Hydroxy-2-mercapto-ethyl)-nonanoic acid [(S)-...)
Show SMILES CCCCCCCC(C(O)CS)C(=O)N[C@@H](CCCCNS(=O)(=O)c1ccc(C)cc1)C(=O)NC(=O)C(CC(C)C)NCC
Show InChI InChI=1S/C32H56N4O6S2/c1-6-8-9-10-11-14-26(29(37)22-43)30(38)35-27(31(39)36-32(40)28(33-7-2)21-23(3)4)15-12-13-20-34-44(41,42)25-18-16-24(5)17-19-25/h16-19,23,26-29,33-34,37,43H,6-15,20-22H2,1-5H3,(H,35,38)(H,36,39,40)/t26?,27-,28?,29?/m0/s1
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Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against collagenase-1(MMP-1).


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50070241
PNG
(2-(2-Mercapto-acetyl)-nonanoic acid [(S)-1-(2-ethy...)
Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NC(=O)C(CC(C)C)NCC
Show InChI InChI=1S/C25H47N3O4S/c1-7-9-10-11-12-13-19(22(29)16-33)23(30)27-21(15-18(5)6)25(32)28-24(31)20(26-8-2)14-17(3)4/h17-21,26,33H,7-16H2,1-6H3,(H,27,30)(H,28,31,32)/t19?,20?,21-/m0/s1
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Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against collagenase-1(MMP-1).


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50070240
PNG
(2-(2-Mercapto-acetyl)-nonanoic acid [(S)-1-(2-ethy...)
Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CCCCNS(=O)(=O)c1ccc(C)cc1)C(=O)NC(=O)C(CC(C)C)NCC
Show InChI InChI=1S/C32H54N4O6S2/c1-6-8-9-10-11-14-26(29(37)22-43)30(38)35-27(31(39)36-32(40)28(33-7-2)21-23(3)4)15-12-13-20-34-44(41,42)25-18-16-24(5)17-19-25/h16-19,23,26-28,33-34,43H,6-15,20-22H2,1-5H3,(H,35,38)(H,36,39,40)/t26?,27-,28?/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50070229
PNG
(2-(2-Mercapto-acetyl)-4-methyl-pentanoic acid ((S)...)
Show SMILES CNC(=O)[C@@H](NC(=O)C(CC(C)C)C(=O)CS)C(C)(C)C
Show InChI InChI=1S/C15H28N2O3S/c1-9(2)7-10(11(18)8-21)13(19)17-12(14(20)16-6)15(3,4)5/h9-10,12,21H,7-8H2,1-6H3,(H,16,20)(H,17,19)/t10?,12-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against collagenase-1(MMP-1).


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50070228
PNG
(2-(2-Mercapto-acetyl)-nonanoic acid ((S)-2,2-dimet...)
Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@H](C(=O)NC)C(C)(C)C
Show InChI InChI=1S/C18H34N2O3S/c1-6-7-8-9-10-11-13(14(21)12-24)16(22)20-15(17(23)19-5)18(2,3)4/h13,15,24H,6-12H2,1-5H3,(H,19,23)(H,20,22)/t13?,15-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against collagenase-1(MMP-1).


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50070228
PNG
(2-(2-Mercapto-acetyl)-nonanoic acid ((S)-2,2-dimet...)
Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@H](C(=O)NC)C(C)(C)C
Show InChI InChI=1S/C18H34N2O3S/c1-6-7-8-9-10-11-13(14(21)12-24)16(22)20-15(17(23)19-5)18(2,3)4/h13,15,24H,6-12H2,1-5H3,(H,19,23)(H,20,22)/t13?,15-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50070234
PNG
(2-(2-Mercapto-acetyl)-4-methyl-pentanoic acid [(S)...)
Show SMILES CC(C)CC(C(=O)CS)C(=O)N[C@H](C(=O)Nc1ccccn1)C(C)(C)C
Show InChI InChI=1S/C19H29N3O3S/c1-12(2)10-13(14(23)11-26)17(24)22-16(19(3,4)5)18(25)21-15-8-6-7-9-20-15/h6-9,12-13,16,26H,10-11H2,1-5H3,(H,22,24)(H,20,21,25)/t13?,16-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against gelatinase-B(MMP-9).


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50070225
PNG
(2-(1-Hydroxy-2-mercapto-ethyl)-4-methyl-pentanoic ...)
Show SMILES CNC(=O)[C@@H](NC(=O)C(CC(C)C)C(O)CS)C(C)(C)C
Show InChI InChI=1S/C15H30N2O3S/c1-9(2)7-10(11(18)8-21)13(19)17-12(14(20)16-6)15(3,4)5/h9-12,18,21H,7-8H2,1-6H3,(H,16,20)(H,17,19)/t10?,11?,12-/m1/s1
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n/an/a>20n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50070230
PNG
(2-(1-Hydroxy-2-mercapto-ethyl)-nonanoic acid ((S)-...)
Show SMILES CCCCCCCC(C(O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C25H42N2O3S/c1-4-5-6-7-11-14-21(23(28)18-31)24(29)27-22(17-19(2)3)25(30)26-16-15-20-12-9-8-10-13-20/h8-10,12-13,19,21-23,28,31H,4-7,11,14-18H2,1-3H3,(H,26,30)(H,27,29)/t21?,22-,23?/m0/s1
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n/an/a>20n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against collagenase-1(MMP-1).


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50070223
PNG
(2-(2-Mercapto-acetyl)-nonanoic acid ((S)-3-methyl-...)
Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C25H40N2O3S/c1-4-5-6-7-11-14-21(23(28)18-31)24(29)27-22(17-19(2)3)25(30)26-16-15-20-12-9-8-10-13-20/h8-10,12-13,19,21-22,31H,4-7,11,14-18H2,1-3H3,(H,26,30)(H,27,29)/t21?,22-/m0/s1
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Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against collagenase-1(MMP-1).


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50070244
PNG
(2-(1-Hydroxy-2-mercapto-ethyl)-nonanoic acid [(S)-...)
Show SMILES CCCCCCCC(C(O)CS)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C26H49N3O4S/c1-2-3-4-5-9-12-22(24(30)20-34)25(31)28-23(19-21-10-7-6-8-11-21)26(32)27-13-14-29-15-17-33-18-16-29/h21-24,30,34H,2-20H2,1H3,(H,27,32)(H,28,31)/t22?,23-,24?/m0/s1
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Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against collagenase-1(MMP-1).


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50070236
PNG
(2-(2-Mercapto-acetyl)-nonanoic acid {(S)-2,2-dimet...)
Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@H](C(=O)NCCc1ccc(cc1)S(N)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C25H41N3O5S2/c1-5-6-7-8-9-10-20(21(29)17-34)23(30)28-22(25(2,3)4)24(31)27-16-15-18-11-13-19(14-12-18)35(26,32)33/h11-14,20,22,34H,5-10,15-17H2,1-4H3,(H,27,31)(H,28,30)(H2,26,32,33)/t20?,22-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50070241
PNG
(2-(2-Mercapto-acetyl)-nonanoic acid [(S)-1-(2-ethy...)
Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NC(=O)C(CC(C)C)NCC
Show InChI InChI=1S/C25H47N3O4S/c1-7-9-10-11-12-13-19(22(29)16-33)23(30)27-21(15-18(5)6)25(32)28-24(31)20(26-8-2)14-17(3)4/h17-21,26,33H,7-16H2,1-6H3,(H,27,30)(H,28,31,32)/t19?,20?,21-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50070242
PNG
(2-(2-Mercapto-acetyl)-nonanoic acid [(S)-1-(2-ethy...)
Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CCCC)C(=O)NC(=O)C(CC(C)C)NCC
Show InChI InChI=1S/C25H47N3O4S/c1-6-9-11-12-13-14-19(22(29)17-33)23(30)27-20(15-10-7-2)24(31)28-25(32)21(26-8-3)16-18(4)5/h18-21,26,33H,6-17H2,1-5H3,(H,27,30)(H,28,31,32)/t19?,20-,21?/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50070241
PNG
(2-(2-Mercapto-acetyl)-nonanoic acid [(S)-1-(2-ethy...)
Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NC(=O)C(CC(C)C)NCC
Show InChI InChI=1S/C25H47N3O4S/c1-7-9-10-11-12-13-19(22(29)16-33)23(30)27-21(15-18(5)6)25(32)28-24(31)20(26-8-2)14-17(3)4/h17-21,26,33H,7-16H2,1-6H3,(H,27,30)(H,28,31,32)/t19?,20?,21-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against gelatinase-B(MMP-9).


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50070223
PNG
(2-(2-Mercapto-acetyl)-nonanoic acid ((S)-3-methyl-...)
Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C25H40N2O3S/c1-4-5-6-7-11-14-21(23(28)18-31)24(29)27-22(17-19(2)3)25(30)26-16-15-20-12-9-8-10-13-20/h8-10,12-13,19,21-22,31H,4-7,11,14-18H2,1-3H3,(H,26,30)(H,27,29)/t21?,22-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50070226
PNG
(2-(2-Mercapto-acetyl)-nonanoic acid {(S)-2-cyclohe...)
Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C28H45N3O5S2/c1-2-3-4-5-9-12-24(26(32)20-37)27(33)31-25(19-22-10-7-6-8-11-22)28(34)30-18-17-21-13-15-23(16-14-21)38(29,35)36/h13-16,22,24-25,37H,2-12,17-20H2,1H3,(H,30,34)(H,31,33)(H2,29,35,36)/t24?,25-/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM12042
PNG
((2R,3R)-3-{[(1S)-1-[(4-carbamimidamidobutyl)carbam...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#8]-[#6@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r|
Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10+,11+/m0/s1
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n/an/a 58n/an/an/an/a5.522



Universidad Central de Venezuela



Assay Description
The substrate peptide terminating in AMC is processed by falcipain-2 with or without inhibitors, and the accumulation of AMC was monitored in a Labsy...


J Med Chem 48: 3654-8 (2005)


Article DOI: 10.1021/jm058208o
BindingDB Entry DOI: 10.7270/Q2GF0RRD
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50070234
PNG
(2-(2-Mercapto-acetyl)-4-methyl-pentanoic acid [(S)...)
Show SMILES CC(C)CC(C(=O)CS)C(=O)N[C@H](C(=O)Nc1ccccn1)C(C)(C)C
Show InChI InChI=1S/C19H29N3O3S/c1-12(2)10-13(14(23)11-26)17(24)22-16(19(3,4)5)18(25)21-15-8-6-7-9-20-15/h6-9,12-13,16,26H,10-11H2,1-5H3,(H,22,24)(H,20,21,25)/t13?,16-/m1/s1
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n/an/a 69n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against collagenase-1(MMP-1).


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50070227
PNG
(2-(2-Mercapto-acetyl)-nonanoic acid ((S)-3-methyl-...)
Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1
Show InChI InChI=1S/C23H36N2O3S/c1-4-5-6-7-11-14-19(21(26)16-29)22(27)25-20(15-17(2)3)23(28)24-18-12-9-8-10-13-18/h8-10,12-13,17,19-20,29H,4-7,11,14-16H2,1-3H3,(H,24,28)(H,25,27)/t19?,20-/m0/s1
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n/an/a 88n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50070247
PNG
(2-(2-Mercapto-acetyl)-nonanoic acid ((S)-2-cyclohe...)
Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C28H44N2O3S/c1-2-3-4-5-12-17-24(26(31)21-34)27(32)30-25(20-23-15-10-7-11-16-23)28(33)29-19-18-22-13-8-6-9-14-22/h6,8-9,13-14,23-25,34H,2-5,7,10-12,15-21H2,1H3,(H,29,33)(H,30,32)/t24?,25-/m0/s1
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n/an/a 88n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50070249
PNG
(2-(2-Mercapto-acetyl)-4-methyl-pentanoic acid ((S)...)
Show SMILES CC(C)CC(C(=O)CS)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C25H38N2O3S/c1-18(2)15-21(23(28)17-31)24(29)27-22(16-20-11-7-4-8-12-20)25(30)26-14-13-19-9-5-3-6-10-19/h3,5-6,9-10,18,20-22,31H,4,7-8,11-17H2,1-2H3,(H,26,30)(H,27,29)/t21?,22-/m0/s1
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n/an/a 98n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50070233
PNG
(2-(1-Hydroxy-2-mercapto-ethyl)-nonanoic acid [(S)-...)
Show SMILES CCCCCCCC(C(O)CS)C(=O)N[C@@H](CCCCNS(=O)(=O)c1ccc(C)cc1)C(=O)NC(=O)C(CC(C)C)NCC
Show InChI InChI=1S/C32H56N4O6S2/c1-6-8-9-10-11-14-26(29(37)22-43)30(38)35-27(31(39)36-32(40)28(33-7-2)21-23(3)4)15-12-13-20-34-44(41,42)25-18-16-24(5)17-19-25/h16-19,23,26-29,33-34,37,43H,6-15,20-22H2,1-5H3,(H,35,38)(H,36,39,40)/t26?,27-,28?,29?/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50070224
PNG
(2-(1-Hydroxy-2-mercapto-ethyl)-nonanoic acid {(S)-...)
Show SMILES CCCCCCCC(C(O)CS)C(=O)N[C@H](C(=O)NCCc1ccc(cc1)S(N)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C25H43N3O5S2/c1-5-6-7-8-9-10-20(21(29)17-34)23(30)28-22(25(2,3)4)24(31)27-16-15-18-11-13-19(14-12-18)35(26,32)33/h11-14,20-22,29,34H,5-10,15-17H2,1-4H3,(H,27,31)(H,28,30)(H2,26,32,33)/t20?,21?,22-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50070248
PNG
(2-(1-Hydroxy-2-mercapto-ethyl)-nonanoic acid ((S)-...)
Show SMILES CCCCCCCC(C(O)CS)C(=O)N[C@H](C(=O)NC)C(C)(C)C
Show InChI InChI=1S/C18H36N2O3S/c1-6-7-8-9-10-11-13(14(21)12-24)16(22)20-15(17(23)19-5)18(2,3)4/h13-15,21,24H,6-12H2,1-5H3,(H,19,23)(H,20,22)/t13?,14?,15-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50070239
PNG
(2-(2-Mercapto-acetyl)-nonanoic acid [(S)-3-methyl-...)
Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C23H43N3O4S/c1-4-5-6-7-8-9-19(21(27)17-31)22(28)25-20(16-18(2)3)23(29)24-10-11-26-12-14-30-15-13-26/h18-20,31H,4-17H2,1-3H3,(H,24,29)(H,25,28)/t19?,20-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50070245
PNG
(2-Ethylamino-4-methyl-pentanoic acid {(S)-2-[2-(1-...)
Show SMILES CCNC(CC(C)C)C(=O)NC(=O)[C@H](CC(C)C)NC(=O)C(CCCc1ccccc1)C(O)CS
Show InChI InChI=1S/C27H45N3O4S/c1-6-28-22(15-18(2)3)26(33)30-27(34)23(16-19(4)5)29-25(32)21(24(31)17-35)14-10-13-20-11-8-7-9-12-20/h7-9,11-12,18-19,21-24,28,31,35H,6,10,13-17H2,1-5H3,(H,29,32)(H,30,33,34)/t21?,22?,23-,24?/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50070232
PNG
(2-Ethylamino-4-methyl-pentanoic acid {(S)-2-[2-(2-...)
Show SMILES CCNC(CC(C)C)C(=O)NC(=O)[C@H](CC(C)C)NC(=O)C(CCCc1ccccc1)C(=O)CS
Show InChI InChI=1S/C27H43N3O4S/c1-6-28-22(15-18(2)3)26(33)30-27(34)23(16-19(4)5)29-25(32)21(24(31)17-35)14-10-13-20-11-8-7-9-12-20/h7-9,11-12,18-19,21-23,28,35H,6,10,13-17H2,1-5H3,(H,29,32)(H,30,33,34)/t21?,22?,23-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50070234
PNG
(2-(2-Mercapto-acetyl)-4-methyl-pentanoic acid [(S)...)
Show SMILES CC(C)CC(C(=O)CS)C(=O)N[C@H](C(=O)Nc1ccccn1)C(C)(C)C
Show InChI InChI=1S/C19H29N3O3S/c1-12(2)10-13(14(23)11-26)17(24)22-16(19(3,4)5)18(25)21-15-8-6-7-9-20-15/h6-9,12-13,16,26H,10-11H2,1-5H3,(H,22,24)(H,20,21,25)/t13?,16-/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50070236
PNG
(2-(2-Mercapto-acetyl)-nonanoic acid {(S)-2,2-dimet...)
Show SMILES CCCCCCCC(C(=O)CS)C(=O)N[C@H](C(=O)NCCc1ccc(cc1)S(N)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C25H41N3O5S2/c1-5-6-7-8-9-10-20(21(29)17-34)23(30)28-22(25(2,3)4)24(31)27-16-15-18-11-13-19(14-12-18)35(26,32)33/h11-14,20,22,34H,5-10,15-17H2,1-4H3,(H,27,31)(H,28,30)(H2,26,32,33)/t20?,22-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against collagenase-1(MMP-1).


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50070231
PNG
(2-(1-Hydroxy-2-mercapto-ethyl)-nonanoic acid [(S)-...)
Show SMILES CCCCCCCC(C(O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NC(=O)C(CC(C)C)NCC
Show InChI InChI=1S/C25H49N3O4S/c1-7-9-10-11-12-13-19(22(29)16-33)23(30)27-21(15-18(5)6)25(32)28-24(31)20(26-8-2)14-17(3)4/h17-22,26,29,33H,7-16H2,1-6H3,(H,27,30)(H,28,31,32)/t19?,20?,21-,22?/m0/s1
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n/an/a 210n/an/an/an/an/an/a



Affymax Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against stromelysin-3 (MMP-3)


Bioorg Med Chem Lett 8: 1157-62 (1999)


BindingDB Entry DOI: 10.7270/Q26W997Q
More data for this
Ligand-Target Pair
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