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Compile Data Set for Download or QSAR

Found 225 hits with Last Name = 'singh' and Initial = 'h'   
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
Collagenase 3


(Homo sapiens (Human))
BDBM30369
PNG
(piperidinyl glycine derivative, 24f)
Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)C)C(O)=O |r|
Show InChI InChI=1S/C23H30N2O7S2/c1-4-31-18-7-5-16(6-8-18)19-9-10-20(33-19)34(29,30)24-21(22(26)27)17-11-13-25(14-12-17)23(28)32-15(2)3/h5-10,15,17,21,24H,4,11-14H2,1-3H3,(H,26,27)/t21-/m1/s1
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0.190 -54.9 0.5n/an/an/an/a7.522



Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
AGTR1


(RAT)
BDBM50043280
PNG
(4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidaz...)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C
Show InChI InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)
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0.230n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM11863
PNG
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
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0.280 -54.0 0.300n/an/an/an/a7.522



Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Collagenase 3


(Homo sapiens (Human))
BDBM30344
PNG
(Cipemastat | Trocade)
Show SMILES CN1C(=O)N(C[C@@H]([C@@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)NO)C(=O)C1(C)C |r|
Show InChI InChI=1S/C22H36N4O5/c1-22(2)20(29)26(21(30)24(22)3)14-17(18(27)23-31)16(13-15-9-5-6-10-15)19(28)25-11-7-4-8-12-25/h15-17,31H,4-14H2,1-3H3,(H,23,27)/t16-,17+/m1/s1
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0.530 -52.4 3.5n/an/an/an/a7.522



Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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1.27 -50.3 1.90n/an/an/an/a7.522



Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303975
PNG
(3'-(4-(2-(1H-Tetrazol-5-yl)ethyl)benzyl)-1,7'-dime...)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(CCc2nnn[nH]2)cc1)-c1nc2ccccc2n1C
Show InChI InChI=1S/C29H30N8/c1-4-7-27-31-28-19(2)16-22(29-30-23-8-5-6-9-24(23)36(29)3)17-25(28)37(27)18-21-12-10-20(11-13-21)14-15-26-32-34-35-33-26/h5-6,8-13,16-17H,4,7,14-15,18H2,1-3H3,(H,32,33,34,35)
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13.4n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303976
PNG
(3'-(2-(4-(2-(1H-Tetrazol-5-yl)ethyl)phenoxy)ethyl)...)
Show SMILES CCCc1nc2c(C)cc(cc2n1CCOc1ccc(CCc2nnn[nH]2)cc1)-c1nc2ccccc2n1C
Show InChI InChI=1S/C30H32N8O/c1-4-7-28-32-29-20(2)18-22(30-31-24-8-5-6-9-25(24)37(30)3)19-26(29)38(28)16-17-39-23-13-10-21(11-14-23)12-15-27-33-35-36-34-27/h5-6,8-11,13-14,18-19H,4,7,12,15-17H2,1-3H3,(H,33,34,35,36)
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1.62E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303977
PNG
(3-(4-(2-(1,7'-Dimethyl-2'-propyl-1H,3'H-2,5'-biben...)
Show SMILES CCCc1nc2c(C)cc(cc2n1CCOc1ccc(CC(C)(Oc2ccccc2)C(O)=O)cc1)-c1nc2ccccc2n1C
Show InChI InChI=1S/C37H38N4O4/c1-5-11-33-39-34-25(2)22-27(35-38-30-14-9-10-15-31(30)40(35)4)23-32(34)41(33)20-21-44-28-18-16-26(17-19-28)24-37(3,36(42)43)45-29-12-7-6-8-13-29/h6-10,12-19,22-23H,5,11,20-21,24H2,1-4H3,(H,42,43)
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2.23E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase 1B (PTP1B)


(Homo sapiens (Human))
BDBM50166435
PNG
(5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-...)
Show SMILES COc1ccc(cc1N1CC(=O)NS1(=O)=O)-c1ccccc1
Show InChI InChI=1S/C15H14N2O4S/c1-21-14-8-7-12(11-5-3-2-4-6-11)9-13(14)17-10-15(18)16-22(17,19)20/h2-9H,10H2,1H3,(H,16,18)
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2.40E+3n/a 4.80E+3n/an/an/an/a7.0n/a



University of Missouri



Assay Description
Assays for the reversible inhibition of PTP1B (72 nM) contained the test compound(2a, 2b, 5a, or 5b) in Bis-Tris (50 mM), NaCl (100 mM), EDTA (2 mM),...


Biochemistry 56: 2051-2060 (2017)


Article DOI: 10.1021/acs.biochem.7b00151
BindingDB Entry DOI: 10.7270/Q2HX1BJ8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
AGTR1


(RAT)
BDBM50303979
PNG
(CHEMBL571763 | Ethyl 3-(4-(2-(1,7'-Dimethyl-2'-pro...)
Show SMILES CCCc1nc2c(C)cc(cc2n1CCOc1ccc(CC(C)(Oc2ccccc2)C(=O)OCC)cc1)-c1nc2ccccc2n1C
Show InChI InChI=1S/C39H42N4O4/c1-6-13-35-41-36-27(3)24-29(37-40-32-16-11-12-17-33(32)42(37)5)25-34(36)43(35)22-23-46-30-20-18-28(19-21-30)26-39(4,38(44)45-7-2)47-31-14-9-8-10-15-31/h8-12,14-21,24-25H,6-7,13,22-23,26H2,1-5H3
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2.53E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303978
PNG
(1-(4-(2-(1H-tetrazol-5-yl)ethyl)benzyl)-4-methyl-2...)
Show SMILES CCCc1nc2c(C)cccc2n1Cc1ccc(CCc2nnn[nH]2)cc1
Show InChI InChI=1S/C21H24N6/c1-3-5-20-22-21-15(2)6-4-7-18(21)27(20)14-17-10-8-16(9-11-17)12-13-19-23-25-26-24-19/h4,6-11H,3,5,12-14H2,1-2H3,(H,23,24,25,26)
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2.84E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303980
PNG
(1-(4-((1H-Tetrazol-5-yl)methoxy)benzyl)-4-methyl-2...)
Show SMILES CCCc1nc2c(C)cccc2n1Cc1ccc(OCc2nnn[nH]2)cc1
Show InChI InChI=1S/C20H22N6O/c1-3-5-19-21-20-14(2)6-4-7-17(20)26(19)12-15-8-10-16(11-9-15)27-13-18-22-24-25-23-18/h4,6-11H,3,5,12-13H2,1-2H3,(H,22,23,24,25)
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5.06E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303986
PNG
(CHEMBL584704 | Ethyl 2-Methyl-3-(4-(2-(4-methyl-2-...)
Show SMILES CCCc1nc2c(C)cccc2n1CCOc1ccc(CC(C)(Oc2ccccc2)C(=O)OCC)cc1
Show InChI InChI=1S/C31H36N2O4/c1-5-11-28-32-29-23(3)12-10-15-27(29)33(28)20-21-36-25-18-16-24(17-19-25)22-31(4,30(34)35-6-2)37-26-13-8-7-9-14-26/h7-10,12-19H,5-6,11,20-22H2,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303981
PNG
(CHEMBL567063 | Ethyl 3-(4-((4-Methyl-2-propyl-1H-b...)
Show SMILES CCCc1nc2c(C)cccc2n1Cc1ccc(\C=C\C(=O)OCC)cc1
Show InChI InChI=1S/C23H26N2O2/c1-4-7-21-24-23-17(3)8-6-9-20(23)25(21)16-19-12-10-18(11-13-19)14-15-22(26)27-5-2/h6,8-15H,4-5,7,16H2,1-3H3/b15-14+
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303985
PNG
(CHEMBL567269 | Ethyl 2,2-Dimethyl-3-(4-(2-(4-methy...)
Show SMILES CCCc1nc2c(C)cccc2n1CCOc1ccc(CC(C)(C)C(=O)OCC)cc1
Show InChI InChI=1S/C26H34N2O3/c1-6-9-23-27-24-19(3)10-8-11-22(24)28(23)16-17-31-21-14-12-20(13-15-21)18-26(4,5)25(29)30-7-2/h8,10-15H,6-7,9,16-18H2,1-5H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303984
PNG
(CHEMBL565379 | Ethyl 2-Methyl-2-(4-((4-methyl-2-pr...)
Show SMILES CCCc1nc2c(C)cccc2n1Cc1ccc(OC(C)(C)C(=O)OCC)cc1
Show InChI InChI=1S/C24H30N2O3/c1-6-9-21-25-22-17(3)10-8-11-20(22)26(21)16-18-12-14-19(15-13-18)29-24(4,5)23(27)28-7-2/h8,10-15H,6-7,9,16H2,1-5H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303982
PNG
(CHEMBL567689 | Methyl 3-(4-((4-Methyl-2-propyl-1H-...)
Show SMILES CCCc1nc2c(C)cccc2n1Cc1ccc(CCC(=O)OCC)cc1
Show InChI InChI=1S/C23H28N2O2/c1-4-7-21-24-23-17(3)8-6-9-20(23)25(21)16-19-12-10-18(11-13-19)14-15-22(26)27-5-2/h6,8-13H,4-5,7,14-16H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50303983
PNG
(CHEMBL565793 | ethyl 2-(4-((4-methyl-2-propyl-1H-b...)
Show SMILES CCCc1nc2c(C)cccc2n1Cc1ccc(OCC(=O)OCC)cc1
Show InChI InChI=1S/C22H26N2O3/c1-4-7-20-23-22-16(3)8-6-9-19(22)24(20)14-17-10-12-18(13-11-17)27-15-21(25)26-5-2/h6,8-13H,4-5,7,14-15H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase 1B (PTP1B)


(Homo sapiens (Human))
BDBM223197
PNG
(2-Bromo-N-[3'-(1,1-dioxido-4-oxo-1,2,5-thiadia...)
Show SMILES Cc1ccc(cc1N1CC(=O)NS1(=O)=O)-c1ccc(NC(=O)CBr)cc1
Show InChI InChI=1S/C17H16BrN3O4S/c1-11-2-3-13(8-15(11)21-10-17(23)20-26(21,24)25)12-4-6-14(7-5-12)19-16(22)9-18/h2-8H,9-10H2,1H3,(H,19,22)(H,20,23)
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2.70E+4n/a 5.40E+4n/an/an/an/a7.0n/a



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Assay Description
Assays for the reversible inhibition of PTP1B (72 nM) contained the test compound(2a, 2b, 5a, or 5b) in Bis-Tris (50 mM), NaCl (100 mM), EDTA (2 mM),...


Biochemistry 56: 2051-2060 (2017)


Article DOI: 10.1021/acs.biochem.7b00151
BindingDB Entry DOI: 10.7270/Q2HX1BJ8
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase 1B (PTP1B)


(Homo sapiens (Human))
BDBM223198
PNG
(N-[3'-(1,1-Dioxido-4-oxo-1,2,5-thiadiazolidin-...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1ccc(C)c(c1)N1CC(=O)NS1(=O)=O
Show InChI InChI=1S/C17H17N3O4S/c1-11-3-4-14(13-5-7-15(8-6-13)18-12(2)21)9-16(11)20-10-17(22)19-25(20,23)24/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
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3.20E+4n/a 6.40E+4n/an/an/an/a7.0n/a



University of Missouri



Assay Description
Assays for the reversible inhibition of PTP1B (72 nM) contained the test compound(2a, 2b, 5a, or 5b) in Bis-Tris (50 mM), NaCl (100 mM), EDTA (2 mM),...


Biochemistry 56: 2051-2060 (2017)


Article DOI: 10.1021/acs.biochem.7b00151
BindingDB Entry DOI: 10.7270/Q2HX1BJ8
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase 1B (PTP1B)


(Homo sapiens (Human))
BDBM223199
PNG
(5-(4-Methyl[1,1'-biphenyl]-3-yl)-1,2,5-thiadia...)
Show SMILES Cc1ccc(cc1N1CC(=O)NS1(=O)=O)-c1ccccc1
Show InChI InChI=1S/C15H14N2O3S/c1-11-7-8-13(12-5-3-2-4-6-12)9-14(11)17-10-15(18)16-21(17,19)20/h2-9H,10H2,1H3,(H,16,18)
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3.85E+4n/a 7.70E+4n/an/an/an/a7.0n/a



University of Missouri



Assay Description
Assays for the reversible inhibition of PTP1B (72 nM) contained the test compound(2a, 2b, 5a, or 5b) in Bis-Tris (50 mM), NaCl (100 mM), EDTA (2 mM),...


Biochemistry 56: 2051-2060 (2017)


Article DOI: 10.1021/acs.biochem.7b00151
BindingDB Entry DOI: 10.7270/Q2HX1BJ8
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30345
PNG
(BOC-piperidinyl glycine derivative, 9)
Show SMILES CN(C)c1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)(C)C)C(O)=O |r|
Show InChI InChI=1S/C24H33N3O6S2/c1-24(2,3)33-23(30)27-14-12-17(13-15-27)21(22(28)29)25-35(31,32)20-11-10-19(34-20)16-6-8-18(9-7-16)26(4)5/h6-11,17,21,25H,12-15H2,1-5H3,(H,28,29)/t21-/m1/s1
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Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30356
PNG
(BOC-piperidinyl glycine derivative, 31)
Show SMILES CN(C)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)(C)C)C(O)=O |r|
Show InChI InChI=1S/C26H35N3O6S/c1-26(2,3)35-25(32)29-16-14-20(15-17-29)23(24(30)31)27-36(33,34)22-12-8-19(9-13-22)18-6-10-21(11-7-18)28(4)5/h6-13,20,23,27H,14-17H2,1-5H3,(H,30,31)/t23-/m1/s1
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Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30380
PNG
(piperidinyl glycine derivative, 24q)
Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(CC)CC)C(O)=O |r|
Show InChI InChI=1S/C25H34N2O7S2/c1-4-19(5-2)34-25(30)27-15-13-18(14-16-27)23(24(28)29)26-36(31,32)22-12-11-21(35-22)17-7-9-20(10-8-17)33-6-3/h7-12,18-19,23,26H,4-6,13-16H2,1-3H3,(H,28,29)/t23-/m1/s1
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Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30384
PNG
(piperidinyl glycine derivative, 24u)
Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC1CCOCC1)C(O)=O |r|
Show InChI InChI=1S/C25H32N2O8S2/c1-2-34-19-5-3-17(4-6-19)21-7-8-22(36-21)37(31,32)26-23(24(28)29)18-9-13-27(14-10-18)25(30)35-20-11-15-33-16-12-20/h3-8,18,20,23,26H,2,9-16H2,1H3,(H,28,29)/t23-/m1/s1
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Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30359
PNG
(BOC-piperidinyl glycine derivative, 34)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)(C)C)C(O)=O |r|
Show InChI InChI=1S/C25H32N2O7S/c1-25(2,3)34-24(30)27-15-13-19(14-16-27)22(23(28)29)26-35(31,32)21-11-7-18(8-12-21)17-5-9-20(33-4)10-6-17/h5-12,19,22,26H,13-16H2,1-4H3,(H,28,29)/t22-/m1/s1
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Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30383
PNG
(piperidinyl glycine derivative, 24t)
Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC1CCCC1)C(O)=O |r|
Show InChI InChI=1S/C25H32N2O7S2/c1-2-33-19-9-7-17(8-10-19)21-11-12-22(35-21)36(31,32)26-23(24(28)29)18-13-15-27(16-14-18)25(30)34-20-5-3-4-6-20/h7-12,18,20,23,26H,2-6,13-16H2,1H3,(H,28,29)/t23-/m1/s1
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Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30360
PNG
(BOC-piperidinyl glycine derivative, 35)
Show SMILES CCOc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)(C)C)C(O)=O |r|
Show InChI InChI=1S/C26H34N2O7S/c1-5-34-21-10-6-18(7-11-21)19-8-12-22(13-9-19)36(32,33)27-23(24(29)30)20-14-16-28(17-15-20)25(31)35-26(2,3)4/h6-13,20,23,27H,5,14-17H2,1-4H3,(H,29,30)/t23-/m1/s1
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Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30379
PNG
(piperidinyl glycine derivative, 24p)
Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OCC(C)C)C(O)=O |r|
Show InChI InChI=1S/C24H32N2O7S2/c1-4-32-19-7-5-17(6-8-19)20-9-10-21(34-20)35(30,31)25-22(23(27)28)18-11-13-26(14-12-18)24(29)33-15-16(2)3/h5-10,16,18,22,25H,4,11-15H2,1-3H3,(H,27,28)/t22-/m1/s1
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Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30382
PNG
(piperidinyl glycine derivative, 24s)
Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)(C)C)C(O)=O |r|
Show InChI InChI=1S/C24H32N2O7S2/c1-5-32-18-8-6-16(7-9-18)19-10-11-20(34-19)35(30,31)25-21(22(27)28)17-12-14-26(15-13-17)23(29)33-24(2,3)4/h6-11,17,21,25H,5,12-15H2,1-4H3,(H,27,28)/t21-/m1/s1
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Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30367
PNG
(piperidinyl glycine derivative, 24d)
Show SMILES COc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)C)C(O)=O |r|
Show InChI InChI=1S/C22H28N2O7S2/c1-14(2)31-22(27)24-12-10-16(11-13-24)20(21(25)26)23-33(28,29)19-9-8-18(32-19)15-4-6-17(30-3)7-5-15/h4-9,14,16,20,23H,10-13H2,1-3H3,(H,25,26)/t20-/m1/s1
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Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30397
PNG
(piperidinyl glycine derivative, 27d)
Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)S(=O)(=O)Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C26H30N2O7S3/c1-2-35-22-10-8-20(9-11-22)23-12-13-24(36-23)38(33,34)27-25(26(29)30)21-14-16-28(17-15-21)37(31,32)18-19-6-4-3-5-7-19/h3-13,21,25,27H,2,14-18H2,1H3,(H,29,30)/t25-/m1/s1
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Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30357
PNG
(BOC-piperidinyl glycine derivative, 32)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)(C)C)C(O)=O |r|
Show InChI InChI=1S/C25H32N2O6S/c1-17-5-7-18(8-6-17)19-9-11-21(12-10-19)34(31,32)26-22(23(28)29)20-13-15-27(16-14-20)24(30)33-25(2,3)4/h5-12,20,22,26H,13-16H2,1-4H3,(H,28,29)/t22-/m1/s1
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Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30396
PNG
(piperidinyl glycine derivative, 27c)
Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)S(=O)(=O)c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C25H28N2O7S3/c1-2-34-20-10-8-18(9-11-20)22-12-13-23(35-22)36(30,31)26-24(25(28)29)19-14-16-27(17-15-19)37(32,33)21-6-4-3-5-7-21/h3-13,19,24,26H,2,14-17H2,1H3,(H,28,29)/t24-/m1/s1
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Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30347
PNG
(BOC-piperidinyl glycine derivative, 22a)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(cc1)N1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C27H37N3O6S2/c1-27(2,3)36-26(33)30-17-13-20(14-18-30)24(25(31)32)28-38(34,35)23-12-11-22(37-23)19-7-9-21(10-8-19)29-15-5-4-6-16-29/h7-12,20,24,28H,4-6,13-18H2,1-3H3,(H,31,32)/t24-/m1/s1
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Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Sus scrofa)
BDBM50235214
PNG
(CHEMBL4084903)
Show SMILES Fc1cc(F)cc(c1)-c1cc(=O)c2ccc3ccccc3c2o1
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Guru Nanak Dev University

Curated by ChEMBL




Bioorg Med Chem Lett 27: 850-854 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.020
BindingDB Entry DOI: 10.7270/Q2PC34PC
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30370
PNG
(piperidinyl glycine derivative, 24g)
Show SMILES CCCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)C)C(O)=O |r|
Show InChI InChI=1S/C24H32N2O7S2/c1-4-15-32-19-7-5-17(6-8-19)20-9-10-21(34-20)35(30,31)25-22(23(27)28)18-11-13-26(14-12-18)24(29)33-16(2)3/h5-10,16,18,22,25H,4,11-15H2,1-3H3,(H,27,28)/t22-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30378
PNG
(piperidinyl glycine derivative, 24o)
Show SMILES CCCCOC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(OCC)cc1)C(O)=O |r|
Show InChI InChI=1S/C24H32N2O7S2/c1-3-5-16-33-24(29)26-14-12-18(13-15-26)22(23(27)28)25-35(30,31)21-11-10-20(34-21)17-6-8-19(9-7-17)32-4-2/h6-11,18,22,25H,3-5,12-16H2,1-2H3,(H,27,28)/t22-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30387
PNG
(piperidinyl glycine derivative, 25c)
Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)NC(C)C)C(O)=O |r|
Show InChI InChI=1S/C23H31N3O6S2/c1-4-32-18-7-5-16(6-8-18)19-9-10-20(33-19)34(30,31)25-21(22(27)28)17-11-13-26(14-12-17)23(29)24-15(2)3/h5-10,15,17,21,25H,4,11-14H2,1-3H3,(H,24,29)(H,27,28)/t21-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30372
PNG
(piperidinyl glycine derivative, 24i)
Show SMILES COCCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)C)C(O)=O |r|
Show InChI InChI=1S/C24H32N2O8S2/c1-16(2)34-24(29)26-12-10-18(11-13-26)22(23(27)28)25-36(30,31)21-9-8-20(35-21)17-4-6-19(7-5-17)33-15-14-32-3/h4-9,16,18,22,25H,10-15H2,1-3H3,(H,27,28)/t22-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30392
PNG
(piperidinyl glycine derivative, 26d)
Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)C1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C26H34N2O6S2/c1-2-34-21-10-8-18(9-11-21)22-12-13-23(35-22)36(32,33)27-24(26(30)31)19-14-16-28(17-15-19)25(29)20-6-4-3-5-7-20/h8-13,19-20,24,27H,2-7,14-17H2,1H3,(H,30,31)/t24-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30381
PNG
(piperidinyl glycine derivative, 24r)
Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OCC(C)(C)C)C(O)=O |r|
Show InChI InChI=1S/C25H34N2O7S2/c1-5-33-19-8-6-17(7-9-19)20-10-11-21(35-20)36(31,32)26-22(23(28)29)18-12-14-27(15-13-18)24(30)34-16-25(2,3)4/h6-11,18,22,26H,5,12-16H2,1-4H3,(H,28,29)/t22-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30377
PNG
(piperidinyl glycine derivative, 24n)
Show SMILES CCCOC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(OCC)cc1)C(O)=O |r|
Show InChI InChI=1S/C23H30N2O7S2/c1-3-15-32-23(28)25-13-11-17(12-14-25)21(22(26)27)24-34(29,30)20-10-9-19(33-20)16-5-7-18(8-6-16)31-4-2/h5-10,17,21,24H,3-4,11-15H2,1-2H3,(H,26,27)/t21-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30395
PNG
(piperidinyl glycine derivative, 27b)
Show SMILES COc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)S(=O)(=O)c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C24H26N2O7S3/c1-33-19-9-7-17(8-10-19)21-11-12-22(34-21)35(29,30)25-23(24(27)28)18-13-15-26(16-14-18)36(31,32)20-5-3-2-4-6-20/h2-12,18,23,25H,13-16H2,1H3,(H,27,28)/t23-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30373
PNG
(piperidinyl glycine derivative, 24j)
Show SMILES CC(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(C)cc1)C(O)=O |r|
Show InChI InChI=1S/C22H28N2O6S2/c1-14(2)30-22(27)24-12-10-17(11-13-24)20(21(25)26)23-32(28,29)19-9-8-18(31-19)16-6-4-15(3)5-7-16/h4-9,14,17,20,23H,10-13H2,1-3H3,(H,25,26)/t20-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30364
PNG
(piperidinyl glycine derivative, 24a)
Show SMILES CC(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(cc1)N1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C26H35N3O6S2/c1-18(2)35-26(32)29-16-12-20(13-17-29)24(25(30)31)27-37(33,34)23-11-10-22(36-23)19-6-8-21(9-7-19)28-14-4-3-5-15-28/h6-11,18,20,24,27H,3-5,12-17H2,1-2H3,(H,30,31)/t24-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Sus scrofa)
BDBM50235213
PNG
(CHEMBL4102852)
Show SMILES Fc1ccc(c(F)c1)-c1cc(=O)c2ccc3ccccc3c2o1
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Guru Nanak Dev University

Curated by ChEMBL




Bioorg Med Chem Lett 27: 850-854 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.020
BindingDB Entry DOI: 10.7270/Q2PC34PC
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30394
PNG
(piperidinyl glycine derivative, 27a)
Show SMILES COc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)S(=O)(=O)c1ccc(C)cc1)C(O)=O |r|
Show InChI InChI=1S/C25H28N2O7S3/c1-17-3-9-21(10-4-17)37(32,33)27-15-13-19(14-16-27)24(25(28)29)26-36(30,31)23-12-11-22(35-23)18-5-7-20(34-2)8-6-18/h3-12,19,24,26H,13-16H2,1-2H3,(H,28,29)/t24-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30385
PNG
(piperidinyl glycine derivative, 25a)
Show SMILES COc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)NC(C)(C)C)C(O)=O |r|
Show InChI InChI=1S/C23H31N3O6S2/c1-23(2,3)24-22(29)26-13-11-16(12-14-26)20(21(27)28)25-34(30,31)19-10-9-18(33-19)15-5-7-17(32-4)8-6-15/h5-10,16,20,25H,11-14H2,1-4H3,(H,24,29)(H,27,28)/t20-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30386
PNG
(piperidinyl glycine derivative, 25b)
Show SMILES COc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)NC(C)C)C(O)=O |r|
Show InChI InChI=1S/C22H29N3O6S2/c1-14(2)23-22(28)25-12-10-16(11-13-25)20(21(26)27)24-33(29,30)19-9-8-18(32-19)15-4-6-17(31-3)7-5-15/h4-9,14,16,20,24H,10-13H2,1-3H3,(H,23,28)(H,26,27)/t20-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
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