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Compile Data Set for Download or QSAR

Found 307 hits with Last Name = 'shum' and Initial = 'pw'   
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
Neutrophil elastase


(Homo sapiens (Human))
BDBM50035500
PNG
((S)-1-{(S)-2-[4-(4-Chloro-benzenesulfonylaminocarb...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C30H34ClF3N4O7S/c1-16(2)23(25(39)30(32,33)34)35-28(42)22-6-5-15-38(22)29(43)24(17(3)4)36-26(40)18-7-9-19(10-8-18)27(41)37-46(44,45)21-13-11-20(31)12-14-21/h7-14,16-17,22-24H,5-6,15H2,1-4H3,(H,35,42)(H,36,40)(H,37,41)/t22-,23?,24-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound for purified Human neutrophil elastase was determined in vitro.


J Med Chem 38: 223-33 (1995)


BindingDB Entry DOI: 10.7270/Q2CC0ZPC
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50035528
PNG
(Acetic acid (E)-2-[((S)-1-{(S)-2-[4-(4-chloro-benz...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H]1C(=O)N\C(C(C)C)=C(\OC(C)=O)C(F)(F)F
Show InChI InChI=1S/C32H36ClF3N4O8S/c1-17(2)25(27(32(34,35)36)48-19(5)41)37-30(44)24-7-6-16-40(24)31(45)26(18(3)4)38-28(42)20-8-10-21(11-9-20)29(43)39-49(46,47)23-14-12-22(33)13-15-23/h8-15,17-18,24,26H,6-7,16H2,1-5H3,(H,37,44)(H,38,42)(H,39,43)/b27-25+/t24-,26-/m0/s1
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3n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound for purified Human neutrophil elastase was determined in the presence of pig liver esterase, in vitro.


J Med Chem 38: 223-33 (1995)


BindingDB Entry DOI: 10.7270/Q2CC0ZPC
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50035498
PNG
((S)-1-{(S)-3-Methyl-2-[4-(morpholine-4-carbonyl)-b...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C28H37F3N4O6/c1-16(2)21(23(36)28(29,30)31)32-25(38)20-6-5-11-35(20)27(40)22(17(3)4)33-24(37)18-7-9-19(10-8-18)26(39)34-12-14-41-15-13-34/h7-10,16-17,20-22H,5-6,11-15H2,1-4H3,(H,32,38)(H,33,37)/t20-,21?,22-/m0/s1
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12n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound for purified Human neutrophil elastase was determined in vitro.


J Med Chem 38: 223-33 (1995)


BindingDB Entry DOI: 10.7270/Q2CC0ZPC
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50035535
PNG
(Acetic acid (E)-3-methyl-2-[((S)-1-{(S)-3-methyl-2...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)N\C(C(C)C)=C(\OC(C)=O)C(F)(F)F
Show InChI InChI=1S/C30H39F3N4O7/c1-17(2)23(25(30(31,32)33)44-19(5)38)34-27(40)22-7-6-12-37(22)29(42)24(18(3)4)35-26(39)20-8-10-21(11-9-20)28(41)36-13-15-43-16-14-36/h8-11,17-18,22,24H,6-7,12-16H2,1-5H3,(H,34,40)(H,35,39)/b25-23+/t22-,24-/m0/s1
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16n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound for purified Human neutrophil elastase was determined in the presence of pig liver esterase, in vitro.


J Med Chem 38: 223-33 (1995)


BindingDB Entry DOI: 10.7270/Q2CC0ZPC
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50035532
PNG
(Acetic acid (E)-3-methyl-2-[((S)-1-{(S)-3-methyl-2...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)N\C(C(C)C)=C(\OC(C)=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C31H39F5N4O7/c1-17(2)23(25(47-19(5)41)30(32,33)31(34,35)36)37-27(43)22-7-6-12-40(22)29(45)24(18(3)4)38-26(42)20-8-10-21(11-9-20)28(44)39-13-15-46-16-14-39/h8-11,17-18,22,24H,6-7,12-16H2,1-5H3,(H,37,43)(H,38,42)/b25-23+/t22-,24-/m0/s1
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25n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound for purified Human neutrophil elastase was determined in the presence of pig liver esterase, in vitro.


J Med Chem 38: 223-33 (1995)


BindingDB Entry DOI: 10.7270/Q2CC0ZPC
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50035530
PNG
(CHEMBL74651 | Propionic acid (E)-3-methyl-2-[((S)-...)
Show SMILES CCC(=O)O\C(=C(\NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(C)C)C(C)C)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C32H41F5N4O7/c1-6-23(42)48-26(31(33,34)32(35,36)37)24(18(2)3)38-28(44)22-8-7-13-41(22)30(46)25(19(4)5)39-27(43)20-9-11-21(12-10-20)29(45)40-14-16-47-17-15-40/h9-12,18-19,22,25H,6-8,13-17H2,1-5H3,(H,38,44)(H,39,43)/b26-24+/t22-,25-/m0/s1
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25n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound for purified Human neutrophil elastase was determined in the presence of pig liver esterase, in vitro.


J Med Chem 38: 223-33 (1995)


BindingDB Entry DOI: 10.7270/Q2CC0ZPC
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50035531
PNG
(CHEMBL74332 | Isobutyric acid (E)-3-methyl-2-[((S)...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)N\C(C(C)C)=C(\OC(=O)C(C)C)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C33H43F5N4O7/c1-18(2)24(26(49-31(47)20(5)6)32(34,35)33(36,37)38)39-28(44)23-8-7-13-42(23)30(46)25(19(3)4)40-27(43)21-9-11-22(12-10-21)29(45)41-14-16-48-17-15-41/h9-12,18-20,23,25H,7-8,13-17H2,1-6H3,(H,39,44)(H,40,43)/b26-24+/t23-,25-/m0/s1
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25n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound for purified Human neutrophil elastase was determined in the presence of pig liver esterase, in vitro.


J Med Chem 38: 223-33 (1995)


BindingDB Entry DOI: 10.7270/Q2CC0ZPC
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50035495
PNG
((S)-1-{(S)-3-Methyl-2-[4-(morpholine-4-carbonyl)-b...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C29H37F5N4O6/c1-16(2)21(23(39)28(30,31)29(32,33)34)35-25(41)20-6-5-11-38(20)27(43)22(17(3)4)36-24(40)18-7-9-19(10-8-18)26(42)37-12-14-44-15-13-37/h7-10,16-17,20-22H,5-6,11-15H2,1-4H3,(H,35,41)(H,36,40)/t20-,21?,22-/m0/s1
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25n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound for purified Human neutrophil elastase was determined in vitro.


J Med Chem 38: 223-33 (1995)


BindingDB Entry DOI: 10.7270/Q2CC0ZPC
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50035491
PNG
(CHEMBL59091 | Morpholine-4-carboxylic acid {(S)-2-...)
Show SMILES CC(C)[C@H](NC(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C21H33F3N4O5/c1-12(2)15(17(29)21(22,23)24)25-18(30)14-6-5-7-28(14)19(31)16(13(3)4)26-20(32)27-8-10-33-11-9-27/h12-16H,5-11H2,1-4H3,(H,25,30)(H,26,32)/t14-,15-,16-/m0/s1
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190n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound for purified Human neutrophil elastase was determined in vitro.


J Med Chem 38: 223-33 (1995)


BindingDB Entry DOI: 10.7270/Q2CC0ZPC
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50035528
PNG
(Acetic acid (E)-2-[((S)-1-{(S)-2-[4-(4-chloro-benz...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H]1C(=O)N\C(C(C)C)=C(\OC(C)=O)C(F)(F)F
Show InChI InChI=1S/C32H36ClF3N4O8S/c1-17(2)25(27(32(34,35)36)48-19(5)41)37-30(44)24-7-6-16-40(24)31(45)26(18(3)4)38-28(42)20-8-10-21(11-9-20)29(43)39-49(46,47)23-14-12-22(33)13-15-23/h8-15,17-18,24,26H,6-7,16H2,1-5H3,(H,37,44)(H,38,42)(H,39,43)/b27-25+/t24-,26-/m0/s1
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320n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound for purified Human neutrophil elastase was determined in vitro.


J Med Chem 38: 223-33 (1995)


BindingDB Entry DOI: 10.7270/Q2CC0ZPC
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50035532
PNG
(Acetic acid (E)-3-methyl-2-[((S)-1-{(S)-3-methyl-2...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)N\C(C(C)C)=C(\OC(C)=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C31H39F5N4O7/c1-17(2)23(25(47-19(5)41)30(32,33)31(34,35)36)37-27(43)22-7-6-12-40(22)29(45)24(18(3)4)38-26(42)20-8-10-21(11-9-20)28(44)39-13-15-46-16-14-39/h8-11,17-18,22,24H,6-7,12-16H2,1-5H3,(H,37,43)(H,38,42)/b25-23+/t22-,24-/m0/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound for purified Human neutrophil elastase was determined in vitro.


J Med Chem 38: 223-33 (1995)


BindingDB Entry DOI: 10.7270/Q2CC0ZPC
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50035533
PNG
(Acetic acid (E)-3-methyl-2-[((S)-1-{(S)-3-methyl-2...)
Show SMILES CC(C)[C@H](NC(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)N\C(C(C)C)=C(\OC(C)=O)C(F)(F)F
Show InChI InChI=1S/C23H35F3N4O6/c1-13(2)17(19(23(24,25)26)36-15(5)31)27-20(32)16-7-6-8-30(16)21(33)18(14(3)4)28-22(34)29-9-11-35-12-10-29/h13-14,16,18H,6-12H2,1-5H3,(H,27,32)(H,28,34)/b19-17+/t16-,18-/m0/s1
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6.30E+3n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound for purified Human neutrophil elastase was determined in vitro.


J Med Chem 38: 223-33 (1995)


BindingDB Entry DOI: 10.7270/Q2CC0ZPC
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50035533
PNG
(Acetic acid (E)-3-methyl-2-[((S)-1-{(S)-3-methyl-2...)
Show SMILES CC(C)[C@H](NC(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)N\C(C(C)C)=C(\OC(C)=O)C(F)(F)F
Show InChI InChI=1S/C23H35F3N4O6/c1-13(2)17(19(23(24,25)26)36-15(5)31)27-20(32)16-7-6-8-30(16)21(33)18(14(3)4)28-22(34)29-9-11-35-12-10-29/h13-14,16,18H,6-12H2,1-5H3,(H,27,32)(H,28,34)/b19-17+/t16-,18-/m0/s1
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6.30E+3n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound for purified Human neutrophil elastase was determined in vitro.


J Med Chem 38: 223-33 (1995)


BindingDB Entry DOI: 10.7270/Q2CC0ZPC
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50035536
PNG
((S)-1-{(S)-3-Methyl-2-[4-(morpholine-4-carbonyl)-b...)
Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]\[#6](=[#6](\[#6])-[#6])-[#6](=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C29H35F5N4O6/c1-16(2)21(23(39)28(30,31)29(32,33)34)35-25(41)20-6-5-11-38(20)27(43)22(17(3)4)36-24(40)18-7-9-19(10-8-18)26(42)37-12-14-44-15-13-37/h7-10,17,20,22H,5-6,11-15H2,1-4H3,(H,35,41)(H,36,40)/t20-,22-/m0/s1
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8.00E+3n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound for purified Human neutrophil elastase was determined in vitro.


J Med Chem 38: 223-33 (1995)


BindingDB Entry DOI: 10.7270/Q2CC0ZPC
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50035534
PNG
((S)-1-{(S)-3-Methyl-2-[4-(morpholine-4-carbonyl)-b...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C26H31F5N4O6/c1-15(2)20(33-21(37)16-5-7-17(8-6-16)23(39)34-10-12-41-13-11-34)24(40)35-9-3-4-18(35)22(38)32-14-19(36)25(27,28)26(29,30)31/h5-8,15,18,20H,3-4,9-14H2,1-2H3,(H,32,38)(H,33,37)/t18-,20-/m0/s1
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1.50E+5n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound for purified Human neutrophil elastase was determined in vitro.


J Med Chem 38: 223-33 (1995)


BindingDB Entry DOI: 10.7270/Q2CC0ZPC
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM50035529
PNG
(CHEMBL74545 | {(S)-2-Methyl-1-[(S)-2-(3,3,4,4,4-pe...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(C)(C)C(=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C21H32F5N3O5/c1-11(2)13(27-17(33)34-18(3,4)5)15(31)29-10-8-9-12(29)14(30)28-19(6,7)16(32)20(22,23)21(24,25)26/h11-13H,8-10H2,1-7H3,(H,27,33)(H,28,30)/t12-,13-/m0/s1
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>5.00E+5n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound for purified Human neutrophil elastase was determined in vitro.


J Med Chem 38: 223-33 (1995)


BindingDB Entry DOI: 10.7270/Q2CC0ZPC
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542862
PNG
(4-(3-((2-(4-(difluoromethoxy)phenyl)-8-methoxy-2,3...)
Show SMILES COc1cc(Cc2cnc3cc(cnn23)C#CC(C)(C)N)cc2OCC(Oc12)c1ccc(OC(F)F)cc1
PDB

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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542881
PNG
(3-((2-(6-ethoxypyridin-3-yl)-8-methoxy-2,3- dihydr...)
Show SMILES CCOc1ccc(cn1)C1COc2cc(Cc3c[nH]c4ncccc34)cc(OC)c2O1
PDB

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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542818
PNG
(4-(3-((8-methoxy-2-(6-methoxypyridin-3-yl)-2,3- di...)
Show SMILES COc1ccc(cn1)C1COc2cc(Cc3cnc4cc(cnn34)C#CC(C)(C)N)cc(OC)c2O1
PDB

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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542975
PNG
(3-(3-methoxy-4-((6-methoxypyridin-3-yl)methoxy)ben...)
Show SMILES COc1ccc(COc2ccc(Cn3cnc4cc(cnc34)C#CC3CCNC3)cc2OC)cn1
PDB

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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542815
PNG
(6-methoxy-3-((8-methoxy-2-(6-methoxypyridin-3-yl)-...)
Show SMILES COc1cnc2c(Cc3cc(OC)c4OC(COc4c3)c3ccc(OC)nc3)cnn2c1
PDB

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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542814
PNG
(4-(3-((8-methoxy-2-(6-methoxypyridin-3-yl)-2,3- di...)
Show SMILES COc1ccc(cn1)C1COc2cc(Cc3cnn4cc(cnc34)N3CCOCC3)cc(OC)c2O1
PDB

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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542847
PNG
(3-((2-(6-ethylpyridin-3-yl)-8-methoxy-2,3- dihydro...)
Show SMILES CCc1ccc(cn1)C1COc2cc(Cc3cnn4cc(OC)cnc34)cc(OC)c2O1
PDB

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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542824
PNG
(3-((8-methoxy-2-(6-methoxypyridin-3-yl)-2,3- dihyd...)
Show SMILES COc1ccc(cn1)C1COc2cc(Cc3c[nH]c4ncccc34)cc(OC)c2O1
PDB

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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542819
PNG
(4-(3-((8-methoxy-2-(6-methoxypyridin-3-yl)-2,3- di...)
Show SMILES COc1ccc(cn1)C1COc2cc(Cc3cnc4cc(cnn34)N3CCOCC3)cc(OC)c2O1
PDB

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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542551
PNG
(3-((2-(4-methoxyphenyl)-2,3-dihydrobenzo[b][1,4]di...)
Show SMILES COc1ccc(cc1)C1COc2cc(Cn3cnc4cc(cnc34)-c3cnn(C)c3)ccc2O1
PDB

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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542813
PNG
(3-((8-methoxy-2-(6-methoxypyridin-3-yl)-2,3- dihyd...)
Show SMILES COC1CN(C1)c1cnc2c(Cc3cc(OC)c4OC(COc4c3)c3ccc(OC)nc3)cnn2c1
PDB

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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542518
PNG
((S)-4-(3-((2-(4-methoxyphenyl)-2,3- imidazo[4,5-b]...)
Show SMILES COc1ccc(cc1)[C@@H]1COc2cc(Cn3cnc4cc(cnc34)C#CC(C)(C)N)ccc2O1
PDB

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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542519
PNG
((R)-4-(3-((2-(4-methoxyphenyl)-2,3- imidazo[4,5-b]...)
Show SMILES COc1ccc(cc1)[C@H]1COc2cc(Cn3cnc4cc(cnc34)C#CC(C)(C)N)ccc2O1
PDB

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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542791
PNG
((S)-6-(difluoromethyl)-3-((8-methoxy-2-(6-methoxyp...)
Show SMILES COc1ccc(cn1)[C@H]1COc2cc(Cn3cnc4cc(cnc34)C(F)F)cc(OC)c2O1
PDB

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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542721
PNG
(4-(3-((2-(6-methoxypyridin-3-yl)-2,3- dihydrobenzo...)
Show SMILES COc1ccc(cn1)C1COc2cc(Cc3cnc4cc(cnn34)C#CC(C)(C)N)ccc2O1
PDB

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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542753
PNG
(3-((8-methoxy-2-(6-methoxypyridin-3-yl)-2,3- dihyd...)
Show SMILES COc1ccc(cn1)C1COc2cc(Cn3cnc4cc(cnc34)-c3cnn(C)c3)cc(OC)c2O1
PDB

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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542816
PNG
(3-((8-methoxy-2-(6-methoxypyridin-3-yl)-2,3- dihyd...)
Show SMILES COc1ccc(cn1)C1COc2cc(Cc3cnn4cc(OC5CN(C)C5)cnc34)cc(OC)c2O1
PDB

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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542848
PNG
(3-((2-(6-ethylpyridin-3-yl)-8-methoxy-2,3- dihydro...)
Show SMILES CCc1ccc(cn1)C1COc2cc(Cc3cnn4cc(cnc34)N3CC(C3)OC)cc(OC)c2O1
PDB

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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542516
PNG
(4-(1-((2-(4-methoxyphenyl)-2,3- dihydrobenzo[b][1,...)
Show SMILES COc1ccc(cc1)C1COc2cc(Cn3cnc4cc(ccc34)C#CC(C)(C)N)ccc2O1
PDB

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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542777
PNG
(6-(1,3-dimethyl-1H-pyrazol-4-yl)-3-((8-methoxy-2-(...)
Show SMILES COc1ccc(cn1)C1COc2cc(Cn3cnc4cc(cnc34)-c3cn(C)nc3C)cc(OC)c2O1
PDB

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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542974
PNG
(3-(3-methoxy-4-((6-methoxypyridin-3-yl)methoxy)ben...)
Show SMILES COc1ccc(COc2ccc(Cn3cnc4cc(cnc34)C#CC3CCCNC3)cc2OC)cn1
PDB

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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542820
PNG
(3-((8-methoxy-2-(6-methoxypyridin-3-yl)-2,3- dihyd...)
Show SMILES COC1CN(C1)c1cnn2c(Cc3cc(OC)c4OC(COc4c3)c3ccc(OC)nc3)cnc2c1
PDB

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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542553
PNG
((S)-4-(3-((2-(6-methoxypyridin-3-yl)-2,3- b]pyridi...)
Show SMILES COc1ccc(cn1)[C@@H]1COc2cc(Cn3cnc4cc(cnc34)C#CC(C)(C)N)ccc2O1
PDB

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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542851
PNG
(4-(3-((8-methoxy-2-(4-methoxyphenyl)-2,3- dihydrob...)
Show SMILES COc1ccc(cc1)C1COc2cc(Cn3cnc4cc(cnc34)C#CC(C)(C)N)cc(OC)c2O1
PDB

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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542759
PNG
(4-(3-((8-methoxy-2-(6-methoxypyridin-3-yl)-2,3- di...)
Show SMILES COc1ccc(cn1)C1COc2cc(Cn3cnc4cc(cnc34)-c3cnoc3)cc(OC)c2O1
PDB

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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542517
PNG
(4-(3-((2-(4-methoxyphenyl)-2,3- dihydrobenzo[b][1,...)
Show SMILES COc1ccc(cc1)C1COc2cc(Cn3cnc4cc(cnc34)C#CC(C)(C)N)ccc2O1
PDB

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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542688
PNG
(4-(3-((2-(4-methoxyphenyl)-3-methyl-2,3- dihydrobe...)
Show SMILES COc1ccc(cc1)C1Oc2ccc(Cn3cnc4cc(cnc34)C#CC(C)(C)N)cc2OC1C
PDB

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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542811
PNG
(6-bromo-3-((8-methoxy-2-(6-methoxypyridin-3-yl)-2,...)
Show SMILES COc1ccc(cn1)C1COc2cc(Cc3cnn4cc(Br)cnc34)cc(OC)c2O1
PDB

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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542855
PNG
(4-(3-((2-(4-(difluoromethoxy)phenyl)-8-methoxy-2,3...)
Show SMILES COc1cc(Cn2cnc3cc(cnc23)C#CC(C)(C)N)cc2OCC(Oc12)c1ccc(OC(F)F)cc1
PDB

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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542944
PNG
(7-((8-methoxy-2-(6-methoxypyridin-3-yl)-2,3- dihyd...)
Show SMILES COc1ccc(cn1)C1COc2cc(Cc3c[nH]c4nccnc34)cc(OC)c2O1
PDB

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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542727
PNG
(4-(3-((8-fluoro-2-(4-(trifluoromethyl)phenyl)-2,3-...)
Show SMILES CC(C)(N)C#Cc1cnc2n(Cc3cc(F)c4OC(COc4c3)c3ccc(cc3)C(F)(F)F)cnc2c1
PDB

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TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542879
PNG
(3-((2-(6-ethoxypyridin-3-yl)-8-methoxy-2,3- dihydr...)
Show SMILES CCOc1ccc(cn1)C1COc2cc(Cn3cnc4cc(OC)cnc34)cc(OC)c2O1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542761
PNG
((S)-6-methoxy-3-((8-methoxy-2-(6-methoxypyridin-3-...)
Show SMILES COc1cnc2n(Cc3cc(OC)c4O[C@@H](COc4c3)c3ccc(OC)nc3)cnc2c1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8n/an/an/an/an/an/a


TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM542831
PNG
(3-((2-(6-cyclopropylpyridin-3-yl)-8-methoxy-2,3- d...)
Show SMILES COc1cc(Cn2cnc3cc(OC4CN(C)C4)cnc23)cc2OCC(Oc12)c1ccc(nc1)C1CC1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8n/an/an/an/an/an/a


TBA

Assay Description
All assay reaction conditions for IC50 determinations were within the linear range with respect to time and enzyme concentration. In a 384 well polyp...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QC06QT
More data for this
Ligand-Target Pair
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