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Compile Data Set for Download or QSAR

Found 138 hits with Last Name = 'mills' and Initial = 'wy'   
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
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222582
PNG
(4-(3,4-dimethylphenylamino)-7-(4-(methylsulfonyl)p...)
Show SMILES Cc1ccc(Nc2c(cnc3cc(ccc23)-c2ccc(cc2)S(C)(=O)=O)C(N)=O)cc1C
Show InChI InChI=1S/C25H23N3O3S/c1-15-4-8-19(12-16(15)2)28-24-21-11-7-18(13-23(21)27-14-22(24)25(26)29)17-5-9-20(10-6-17)32(3,30)31/h4-14H,1-3H3,(H2,26,29)(H,27,28)
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n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222572
PNG
(7-(4-(methylsulfonyl)phenyl)-4-(phenylamino)quinol...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2c(Nc3ccccc3)c(cnc2c1)C(N)=O
Show InChI InChI=1S/C23H19N3O3S/c1-30(28,29)18-10-7-15(8-11-18)16-9-12-19-21(13-16)25-14-20(23(24)27)22(19)26-17-5-3-2-4-6-17/h2-14H,1H3,(H2,24,27)(H,25,26)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222594
PNG
(7-(4-bromophenyl)-4-(phenylamino)quinoline-3-carbo...)
Show SMILES NC(=O)c1cnc2cc(ccc2c1Nc1ccccc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C22H16BrN3O/c23-16-9-6-14(7-10-16)15-8-11-18-20(12-15)25-13-19(22(24)27)21(18)26-17-4-2-1-3-5-17/h1-13H,(H2,24,27)(H,25,26)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222588
PNG
(4-(phenylamino)-7-(4-(piperidine-1-carbonyl)phenyl...)
Show SMILES NC(=O)c1cnc2cc(ccc2c1Nc1ccccc1)-c1ccc(cc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C28H26N4O2/c29-27(33)24-18-30-25-17-21(13-14-23(25)26(24)31-22-7-3-1-4-8-22)19-9-11-20(12-10-19)28(34)32-15-5-2-6-16-32/h1,3-4,7-14,17-18H,2,5-6,15-16H2,(H2,29,33)(H,30,31)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222575
PNG
(4-(phenylamino)-7-(pyridin-4-yl)quinoline-3-carbox...)
Show SMILES NC(=O)c1cnc2cc(ccc2c1Nc1ccccc1)-c1ccncc1
Show InChI InChI=1S/C21H16N4O/c22-21(26)18-13-24-19-12-15(14-8-10-23-11-9-14)6-7-17(19)20(18)25-16-4-2-1-3-5-16/h1-13H,(H2,22,26)(H,24,25)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222587
PNG
(7-(4-methoxyphenyl)-4-(phenylamino)quinoline-3-car...)
Show SMILES COc1ccc(cc1)-c1ccc2c(Nc3ccccc3)c(cnc2c1)C(N)=O
Show InChI InChI=1S/C23H19N3O2/c1-28-18-10-7-15(8-11-18)16-9-12-19-21(13-16)25-14-20(23(24)27)22(19)26-17-5-3-2-4-6-17/h2-14H,1H3,(H2,24,27)(H,25,26)
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222557
PNG
(7-(3-(methylsulfonylmethyl)phenyl)-4-(phenylamino)...)
Show SMILES CS(=O)(=O)Cc1cccc(c1)-c1ccc2c(Nc3ccccc3)c(cnc2c1)C(N)=O
Show InChI InChI=1S/C24H21N3O3S/c1-31(29,30)15-16-6-5-7-17(12-16)18-10-11-20-22(13-18)26-14-21(24(25)28)23(20)27-19-8-3-2-4-9-19/h2-14H,15H2,1H3,(H2,25,28)(H,26,27)
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222561
PNG
(7-(4-fluorophenyl)-4-(phenylamino)quinoline-3-carb...)
Show SMILES NC(=O)c1cnc2cc(ccc2c1Nc1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H16FN3O/c23-16-9-6-14(7-10-16)15-8-11-18-20(12-15)25-13-19(22(24)27)21(18)26-17-4-2-1-3-5-17/h1-13H,(H2,24,27)(H,25,26)
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222573
PNG
(4-(3-chloro-4-methoxyphenylamino)-7-(pyridin-4-yl)...)
Show SMILES COc1ccc(Nc2c(cnc3cc(ccc23)-c2ccncc2)C(N)=O)cc1Cl
Show InChI InChI=1S/C22H17ClN4O2/c1-29-20-5-3-15(11-18(20)23)27-21-16-4-2-14(13-6-8-25-9-7-13)10-19(16)26-12-17(21)22(24)28/h2-12H,1H3,(H2,24,28)(H,26,27)
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222560
PNG
(4-(3-chloro-4-(trifluoromethoxy)phenylamino)-7-(py...)
Show SMILES NC(=O)c1cnc2cc(ccc2c1Nc1ccc(OC(F)(F)F)c(Cl)c1)-c1ccncc1
Show InChI InChI=1S/C22H14ClF3N4O2/c23-17-10-14(2-4-19(17)32-22(24,25)26)30-20-15-3-1-13(12-5-7-28-8-6-12)9-18(15)29-11-16(20)21(27)31/h1-11H,(H2,27,31)(H,29,30)
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222578
PNG
(7-(4-(cyclopentanecarbonyl)phenyl)-4-(phenylamino)...)
Show SMILES NC(=O)c1cnc2cc(ccc2c1Nc1ccccc1)-c1ccc(cc1)C(=O)C1CCCC1
Show InChI InChI=1S/C28H25N3O2/c29-28(33)24-17-30-25-16-21(14-15-23(25)26(24)31-22-8-2-1-3-9-22)18-10-12-20(13-11-18)27(32)19-6-4-5-7-19/h1-3,8-17,19H,4-7H2,(H2,29,33)(H,30,31)
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222579
PNG
(4-(3,4-difluorophenylamino)-7-(pyridin-4-yl)quinol...)
Show SMILES NC(=O)c1cnc2cc(ccc2c1Nc1ccc(F)c(F)c1)-c1ccncc1
Show InChI InChI=1S/C21H14F2N4O/c22-17-4-2-14(10-18(17)23)27-20-15-3-1-13(12-5-7-25-8-6-12)9-19(15)26-11-16(20)21(24)28/h1-11H,(H2,24,28)(H,26,27)
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222585
PNG
(7-(4-(dimethylamino)phenyl)-4-(phenylamino)quinoli...)
Show SMILES CN(C)c1ccc(cc1)-c1ccc2c(Nc3ccccc3)c(cnc2c1)C(N)=O
Show InChI InChI=1S/C24H22N4O/c1-28(2)19-11-8-16(9-12-19)17-10-13-20-22(14-17)26-15-21(24(25)29)23(20)27-18-6-4-3-5-7-18/h3-15H,1-2H3,(H2,25,29)(H,26,27)
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222586
PNG
(4-(3-fluoro-4-methoxyphenylamino)-7-(pyridin-4-yl)...)
Show SMILES COc1ccc(Nc2c(cnc3cc(ccc23)-c2ccncc2)C(N)=O)cc1F
Show InChI InChI=1S/C22H17FN4O2/c1-29-20-5-3-15(11-18(20)23)27-21-16-4-2-14(13-6-8-25-9-7-13)10-19(16)26-12-17(21)22(24)28/h2-12H,1H3,(H2,24,28)(H,26,27)
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222591
PNG
(4-(3-chloro-4-methylphenylamino)-7-(pyridin-4-yl)q...)
Show SMILES Cc1ccc(Nc2c(cnc3cc(ccc23)-c2ccncc2)C(N)=O)cc1Cl
Show InChI InChI=1S/C22H17ClN4O/c1-13-2-4-16(11-19(13)23)27-21-17-5-3-15(14-6-8-25-9-7-14)10-20(17)26-12-18(21)22(24)28/h2-12H,1H3,(H2,24,28)(H,26,27)
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222565
PNG
(7-(4-(methylsulfonylmethyl)phenyl)-4-(phenylamino)...)
Show SMILES CS(=O)(=O)Cc1ccc(cc1)-c1ccc2c(Nc3ccccc3)c(cnc2c1)C(N)=O
Show InChI InChI=1S/C24H21N3O3S/c1-31(29,30)15-16-7-9-17(10-8-16)18-11-12-20-22(13-18)26-14-21(24(25)28)23(20)27-19-5-3-2-4-6-19/h2-14H,15H2,1H3,(H2,25,28)(H,26,27)
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n/an/a 50n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222598
PNG
(7-(4-cyanophenyl)-4-(phenylamino)quinoline-3-carbo...)
Show SMILES NC(=O)c1cnc2cc(ccc2c1Nc1ccccc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H16N4O/c24-13-15-6-8-16(9-7-15)17-10-11-19-21(12-17)26-14-20(23(25)28)22(19)27-18-4-2-1-3-5-18/h1-12,14H,(H2,25,28)(H,26,27)
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n/an/a 50n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222593
PNG
(4-(phenylamino)-7-p-tolylquinoline-3-carboxamide |...)
Show SMILES Cc1ccc(cc1)-c1ccc2c(Nc3ccccc3)c(cnc2c1)C(N)=O
Show InChI InChI=1S/C23H19N3O/c1-15-7-9-16(10-8-15)17-11-12-19-21(13-17)25-14-20(23(24)27)22(19)26-18-5-3-2-4-6-18/h2-14H,1H3,(H2,24,27)(H,25,26)
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n/an/a 50n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222556
PNG
(4-(4-fluoro-3-methylphenylamino)-7-(pyridin-4-yl)q...)
Show SMILES Cc1cc(Nc2c(cnc3cc(ccc23)-c2ccncc2)C(N)=O)ccc1F
Show InChI InChI=1S/C22H17FN4O/c1-13-10-16(3-5-19(13)23)27-21-17-4-2-15(14-6-8-25-9-7-14)11-20(17)26-12-18(21)22(24)28/h2-12H,1H3,(H2,24,28)(H,26,27)
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n/an/a 50n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222559
PNG
(4-(3-fluoro-4-methylphenylamino)-7-(4-(methylsulfo...)
Show SMILES Cc1ccc(Nc2c(cnc3cc(ccc23)-c2ccc(cc2)S(C)(=O)=O)C(N)=O)cc1F
Show InChI InChI=1S/C24H20FN3O3S/c1-14-3-7-17(12-21(14)25)28-23-19-10-6-16(11-22(19)27-13-20(23)24(26)29)15-4-8-18(9-5-15)32(2,30)31/h3-13H,1-2H3,(H2,26,29)(H,27,28)
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n/an/a 63n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222562
PNG
(4-(4-methoxyphenylamino)-7-(pyridin-4-yl)quinoline...)
Show SMILES COc1ccc(Nc2c(cnc3cc(ccc23)-c2ccncc2)C(N)=O)cc1
Show InChI InChI=1S/C22H18N4O2/c1-28-17-5-3-16(4-6-17)26-21-18-7-2-15(14-8-10-24-11-9-14)12-20(18)25-13-19(21)22(23)27/h2-13H,1H3,(H2,23,27)(H,25,26)
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n/an/a 63n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222576
PNG
(4-(4-(dimethylamino)phenylamino)-7-(pyridin-4-yl)q...)
Show SMILES CN(C)c1ccc(Nc2c(cnc3cc(ccc23)-c2ccncc2)C(N)=O)cc1
Show InChI InChI=1S/C23H21N5O/c1-28(2)18-6-4-17(5-7-18)27-22-19-8-3-16(15-9-11-25-12-10-15)13-21(19)26-14-20(22)23(24)29/h3-14H,1-2H3,(H2,24,29)(H,26,27)
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n/an/a 63n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222580
PNG
(7-(4-(methylsulfonamido)phenyl)-4-(phenylamino)qui...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccc2c(Nc3ccccc3)c(cnc2c1)C(N)=O
Show InChI InChI=1S/C23H20N4O3S/c1-31(29,30)27-18-10-7-15(8-11-18)16-9-12-19-21(13-16)25-14-20(23(24)28)22(19)26-17-5-3-2-4-6-17/h2-14,27H,1H3,(H2,24,28)(H,25,26)
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n/an/a 63n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222584
PNG
(7-(4-acetamidophenyl)-4-(phenylamino)quinoline-3-c...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1ccc2c(Nc3ccccc3)c(cnc2c1)C(N)=O
Show InChI InChI=1S/C24H20N4O2/c1-15(29)27-19-10-7-16(8-11-19)17-9-12-20-22(13-17)26-14-21(24(25)30)23(20)28-18-5-3-2-4-6-18/h2-14H,1H3,(H2,25,30)(H,26,28)(H,27,29)
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n/an/a 80n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222583
PNG
(4-(3-fluoro-4-methylphenylamino)-7-(pyridin-4-yl)q...)
Show SMILES Cc1ccc(Nc2c(cnc3cc(ccc23)-c2ccncc2)C(N)=O)cc1F
Show InChI InChI=1S/C22H17FN4O/c1-13-2-4-16(11-19(13)23)27-21-17-5-3-15(14-6-8-25-9-7-14)10-20(17)26-12-18(21)22(24)28/h2-12H,1H3,(H2,24,28)(H,26,27)
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n/an/a 80n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222566
PNG
(7-(4-(morpholine-4-carbonyl)phenyl)-4-(phenylamino...)
Show SMILES NC(=O)c1cnc2cc(ccc2c1Nc1ccccc1)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H24N4O3/c28-26(32)23-17-29-24-16-20(10-11-22(24)25(23)30-21-4-2-1-3-5-21)18-6-8-19(9-7-18)27(33)31-12-14-34-15-13-31/h1-11,16-17H,12-15H2,(H2,28,32)(H,29,30)
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n/an/a 80n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222569
PNG
(4-phenylamino-7-(4-sulfamoyl-phenyl)-quinoline-3-c...)
Show SMILES NC(=O)c1cnc2cc(ccc2c1Nc1ccccc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C22H18N4O3S/c23-22(27)19-13-25-20-12-15(14-6-9-17(10-7-14)30(24,28)29)8-11-18(20)21(19)26-16-4-2-1-3-5-16/h1-13H,(H2,23,27)(H,25,26)(H2,24,28,29)
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n/an/a 80n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222555
PNG
(4-(3,4-dimethylphenylamino)-7-(pyridin-4-yl)quinol...)
Show SMILES Cc1ccc(Nc2c(cnc3cc(ccc23)-c2ccncc2)C(N)=O)cc1C
Show InChI InChI=1S/C23H20N4O/c1-14-3-5-18(11-15(14)2)27-22-19-6-4-17(16-7-9-25-10-8-16)12-21(19)26-13-20(22)23(24)28/h3-13H,1-2H3,(H2,24,28)(H,26,27)
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n/an/a 80n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222595
PNG
(4-(3-fluoro-4-methoxyphenylamino)-7-(4-(methylsulf...)
Show SMILES COc1ccc(Nc2c(cnc3cc(ccc23)-c2ccc(cc2)S(C)(=O)=O)C(N)=O)cc1F
Show InChI InChI=1S/C24H20FN3O4S/c1-32-22-10-6-16(12-20(22)25)28-23-18-9-5-15(11-21(18)27-13-19(23)24(26)29)14-3-7-17(8-4-14)33(2,30)31/h3-13H,1-2H3,(H2,26,29)(H,27,28)
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222581
PNG
(4-(4-ethoxy-3-fluorophenylamino)-7-(pyridin-4-yl)q...)
Show SMILES CCOc1ccc(Nc2c(cnc3cc(ccc23)-c2ccncc2)C(N)=O)cc1F
Show InChI InChI=1S/C23H19FN4O2/c1-2-30-21-6-4-16(12-19(21)24)28-22-17-5-3-15(14-7-9-26-10-8-14)11-20(17)27-13-18(22)23(25)29/h3-13H,2H2,1H3,(H2,25,29)(H,27,28)
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222592
PNG
(7-(4-(cyclopropanecarbonyl)phenyl)-4-(phenylamino)...)
Show SMILES NC(=O)c1cnc2cc(ccc2c1Nc1ccccc1)-c1ccc(cc1)C(=O)C1CC1
Show InChI InChI=1S/C26H21N3O2/c27-26(31)22-15-28-23-14-19(16-6-8-17(9-7-16)25(30)18-10-11-18)12-13-21(23)24(22)29-20-4-2-1-3-5-20/h1-9,12-15,18H,10-11H2,(H2,27,31)(H,28,29)
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222571
PNG
(4-(4-fluorophenylamino)-7-(pyridin-4-yl)quinoline-...)
Show SMILES NC(=O)c1cnc2cc(ccc2c1Nc1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H15FN4O/c22-15-2-4-16(5-3-15)26-20-17-6-1-14(13-7-9-24-10-8-13)11-19(17)25-12-18(20)21(23)27/h1-12H,(H2,23,27)(H,25,26)
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222577
PNG
(4-(4-(methylthio)phenylamino)-7-(pyridin-4-yl)quin...)
Show SMILES CSc1ccc(Nc2c(cnc3cc(ccc23)-c2ccncc2)C(N)=O)cc1
Show InChI InChI=1S/C22H18N4OS/c1-28-17-5-3-16(4-6-17)26-21-18-7-2-15(14-8-10-24-11-9-14)12-20(18)25-13-19(21)22(23)27/h2-13H,1H3,(H2,23,27)(H,25,26)
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n/an/a 130n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222597
PNG
(4-(phenylamino)-7-(4-(trifluoromethyl)phenyl)quino...)
Show SMILES NC(=O)c1cnc2cc(ccc2c1Nc1ccccc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H16F3N3O/c24-23(25,26)16-9-6-14(7-10-16)15-8-11-18-20(12-15)28-13-19(22(27)30)21(18)29-17-4-2-1-3-5-17/h1-13H,(H2,27,30)(H,28,29)
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n/an/a 130n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222564
PNG
(7-(4-aminophenyl)-4-(phenylamino)quinoline-3-carbo...)
Show SMILES NC(=O)c1cnc2cc(ccc2c1Nc1ccccc1)-c1ccc(N)cc1
Show InChI InChI=1S/C22H18N4O/c23-16-9-6-14(7-10-16)15-8-11-18-20(12-15)25-13-19(22(24)27)21(18)26-17-4-2-1-3-5-17/h1-13H,23H2,(H2,24,27)(H,25,26)
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n/an/a 160n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222553
PNG
(4-(4-chloro-3-methylphenylamino)-7-(pyridin-4-yl)q...)
Show SMILES Cc1cc(Nc2c(cnc3cc(ccc23)-c2ccncc2)C(N)=O)ccc1Cl
Show InChI InChI=1S/C22H17ClN4O/c1-13-10-16(3-5-19(13)23)27-21-17-4-2-15(14-6-8-25-9-7-14)11-20(17)26-12-18(21)22(24)28/h2-12H,1H3,(H2,24,28)(H,26,27)
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n/an/a 160n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222596
PNG
(4-(4-fluorophenylamino)-7-(4-(methylsulfonyl)pheny...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2c(Nc3ccc(F)cc3)c(cnc2c1)C(N)=O
Show InChI InChI=1S/C23H18FN3O3S/c1-31(29,30)18-9-2-14(3-10-18)15-4-11-19-21(12-15)26-13-20(23(25)28)22(19)27-17-7-5-16(24)6-8-17/h2-13H,1H3,(H2,25,28)(H,26,27)
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n/an/a 160n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222574
PNG
(4-(1H-indazol-4-ylamino)-7-(pyridin-4-yl)quinoline...)
Show SMILES NC(=O)c1cnc2cc(ccc2c1Nc1cccc2[nH]ncc12)-c1ccncc1
Show InChI InChI=1S/C22H16N6O/c23-22(29)17-11-25-20-10-14(13-6-8-24-9-7-13)4-5-15(20)21(17)27-18-2-1-3-19-16(18)12-26-28-19/h1-12H,(H2,23,29)(H,25,27)(H,26,28)
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n/an/a 160n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222554
PNG
(4-(3,4-difluorophenylamino)-7-(4-(methylsulfonyl)p...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2c(Nc3ccc(F)c(F)c3)c(cnc2c1)C(N)=O
Show InChI InChI=1S/C23H17F2N3O3S/c1-32(30,31)16-6-2-13(3-7-16)14-4-8-17-21(10-14)27-12-18(23(26)29)22(17)28-15-5-9-19(24)20(25)11-15/h2-12H,1H3,(H2,26,29)(H,27,28)
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222567
PNG
(7-(4-(ethylsulfonyl)phenyl)-4-(phenylamino)quinoli...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)-c1ccc2c(Nc3ccccc3)c(cnc2c1)C(N)=O
Show InChI InChI=1S/C24H21N3O3S/c1-2-31(29,30)19-11-8-16(9-12-19)17-10-13-20-22(14-17)26-15-21(24(25)28)23(20)27-18-6-4-3-5-7-18/h3-15H,2H2,1H3,(H2,25,28)(H,26,27)
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222589
PNG
(7-phenyl-4-(phenylamino)quinoline-3-carboxamide | ...)
Show SMILES NC(=O)c1cnc2cc(ccc2c1Nc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H17N3O/c23-22(26)19-14-24-20-13-16(15-7-3-1-4-8-15)11-12-18(20)21(19)25-17-9-5-2-6-10-17/h1-14H,(H2,23,26)(H,24,25)
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n/an/a 250n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222558
PNG
(7-(3-cyanophenyl)-4-(phenylamino)quinoline-3-carbo...)
Show SMILES NC(=O)c1cnc2cc(ccc2c1Nc1ccccc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C23H16N4O/c24-13-15-5-4-6-16(11-15)17-9-10-19-21(12-17)26-14-20(23(25)28)22(19)27-18-7-2-1-3-8-18/h1-12,14H,(H2,25,28)(H,26,27)
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n/an/a 320n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222568
PNG
(4-(1H-indazol-3-ylamino)-7-(pyridin-4-yl)quinoline...)
Show SMILES NC(=O)c1cnc2cc(ccc2c1Nc1n[nH]c2ccccc12)-c1ccncc1
Show InChI InChI=1S/C22H16N6O/c23-21(29)17-12-25-19-11-14(13-7-9-24-10-8-13)5-6-15(19)20(17)26-22-16-3-1-2-4-18(16)27-28-22/h1-12H,(H2,23,29)(H2,25,26,27,28)
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n/an/a 320n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222590
PNG
(4-(4-isopropoxyphenylamino)-7-(pyridin-4-yl)quinol...)
Show SMILES CC(C)Oc1ccc(Nc2c(cnc3cc(ccc23)-c2ccncc2)C(N)=O)cc1
Show InChI InChI=1S/C24H22N4O2/c1-15(2)30-19-6-4-18(5-7-19)28-23-20-8-3-17(16-9-11-26-12-10-16)13-22(20)27-14-21(23)24(25)29/h3-15H,1-2H3,(H2,25,29)(H,27,28)
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n/an/a 630n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222563
PNG
(4-(3-fluoro-4-isopropoxyphenylamino)-7-(pyridin-4-...)
Show SMILES CC(C)Oc1ccc(Nc2c(cnc3cc(ccc23)-c2ccncc2)C(N)=O)cc1F
Show InChI InChI=1S/C24H21FN4O2/c1-14(2)31-22-6-4-17(12-20(22)25)29-23-18-5-3-16(15-7-9-27-10-8-15)11-21(18)28-13-19(23)24(26)30/h3-14H,1-2H3,(H2,26,30)(H,28,29)
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50222570
PNG
(4-(isoxazol-3-ylamino)-7-(pyridin-4-yl)quinoline-3...)
Show SMILES NC(=O)c1cnc2cc(ccc2c1Nc1ccon1)-c1ccncc1
Show InChI InChI=1S/C18H13N5O2/c19-18(24)14-10-21-15-9-12(11-3-6-20-7-4-11)1-2-13(15)17(14)22-16-5-8-25-23-16/h1-10H,(H2,19,24)(H,21,22,23)
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n/an/a 3.20E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of cfms


Bioorg Med Chem Lett 17: 6257-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.009
BindingDB Entry DOI: 10.7270/Q2VD6Z5M
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50336641
PNG
(6-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4...)
Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2nc(ccc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(40.05,8.98,;39.74,7.47,;38.28,6.98,;40.89,6.44,;42.4,6.77,;43.17,5.44,;42.15,4.29,;40.74,4.91,;39.41,4.14,;38.07,4.9,;36.74,4.13,;36.75,2.58,;35.41,1.81,;34.08,2.58,;34.08,4.12,;35.41,4.89,;32.74,1.81,;32.75,.27,;31.42,-.5,;30.08,.27,;28.75,-.5,;27.42,.27,;27.41,1.81,;28.75,2.58,;30.08,1.81,;31.41,2.58,;26.09,-.51,;24.75,.26,;26.09,-2.05,;42.47,2.79,;43.93,2.32,;45.07,3.35,;44.26,.82,;43.11,-.22,;41.64,.25,;41.32,1.76,;39.86,2.23,)|
Show InChI InChI=1S/C29H22Cl2N2O4/c1-16(2)28-21(27(33-37-28)26-22(30)4-3-5-23(26)31)15-36-20-10-6-17(7-11-20)18-8-12-24-19(14-18)9-13-25(32-24)29(34)35/h3-14,16H,15H2,1-2H3,(H,34,35)
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n/an/a 4.40E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsome


Bioorg Med Chem Lett 21: 1206-13 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.089
BindingDB Entry DOI: 10.7270/Q27D2VDD
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM22164
PNG
((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylca...)
Show SMILES CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccccc1 |r|
Show InChI InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1
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n/an/a 5.10E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsome


Bioorg Med Chem Lett 21: 1206-13 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.089
BindingDB Entry DOI: 10.7270/Q27D2VDD
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50336640
PNG
((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |c:13,t:10|
Show InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,13,15H,1-4H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsome


Bioorg Med Chem Lett 21: 1206-13 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.089
BindingDB Entry DOI: 10.7270/Q27D2VDD
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50336641
PNG
(6-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4...)
Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2nc(ccc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(40.05,8.98,;39.74,7.47,;38.28,6.98,;40.89,6.44,;42.4,6.77,;43.17,5.44,;42.15,4.29,;40.74,4.91,;39.41,4.14,;38.07,4.9,;36.74,4.13,;36.75,2.58,;35.41,1.81,;34.08,2.58,;34.08,4.12,;35.41,4.89,;32.74,1.81,;32.75,.27,;31.42,-.5,;30.08,.27,;28.75,-.5,;27.42,.27,;27.41,1.81,;28.75,2.58,;30.08,1.81,;31.41,2.58,;26.09,-.51,;24.75,.26,;26.09,-2.05,;42.47,2.79,;43.93,2.32,;45.07,3.35,;44.26,.82,;43.11,-.22,;41.64,.25,;41.32,1.76,;39.86,2.23,)|
Show InChI InChI=1S/C29H22Cl2N2O4/c1-16(2)28-21(27(33-37-28)26-22(30)4-3-5-23(26)31)15-36-20-10-6-17(7-11-20)18-8-12-24-19(14-18)9-13-25(32-24)29(34)35/h3-14,16H,15H2,1-2H3,(H,34,35)
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n/an/a 2.10E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsome


Bioorg Med Chem Lett 21: 1206-13 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.089
BindingDB Entry DOI: 10.7270/Q27D2VDD
More data for this
Ligand-Target Pair
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