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PubChem AID 810

Compile Data Set for Download or QSAR

Found 210 hits of Enzyme Inhibition Constant Data   
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
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM41042
PNG
(7-(4-fluorophenyl)-5-(4-methylphenyl)-4-pyrido[2,3...)
Show SMILES Cc1ccc(cc1)-c1cc(nc2ncnc(N)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C20H15FN4/c1-12-2-4-13(5-3-12)16-10-17(14-6-8-15(21)9-7-14)25-20-18(16)19(22)23-11-24-20/h2-11H,1H3,(H2,22,23,24,25)
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n/an/a 336n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM40963
PNG
(9-keto-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-...)
Show SMILES CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc3c(c2)nc2CCCn2c3=O)n(n1)-c1ccccc1
Show InChI InChI=1S/C27H27N5O4/c1-27(2,3)21-15-23(32(30-21)18-8-5-4-6-9-18)29-24(33)16-36-26(35)17-11-12-19-20(14-17)28-22-10-7-13-31(22)25(19)34/h4-6,8-9,11-12,14-15H,7,10,13,16H2,1-3H3,(H,29,33)
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n/an/a 977n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM41053
PNG
(5-(1-piperidinyl)-3-pyrazolo[1,5-a]quinazolinecarb...)
Show SMILES N#Cc1cnn2c1nc(N1CCCCC1)c1ccccc21
Show InChI InChI=1S/C16H15N5/c17-10-12-11-18-21-14-7-3-2-6-13(14)16(19-15(12)21)20-8-4-1-5-9-20/h2-3,6-7,11H,1,4-5,8-9H2
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n/an/a 1.07E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM40973
PNG
(2-{[5-(2-phosphonophenoxy)pentyl]oxy}phenylphospho...)
Show SMILES OP(O)(=O)c1ccccc1OCCCCCOc1ccccc1P(O)(O)=O
Show InChI InChI=1S/C17H22O8P2/c18-26(19,20)16-10-4-2-8-14(16)24-12-6-1-7-13-25-15-9-3-5-11-17(15)27(21,22)23/h2-5,8-11H,1,6-7,12-13H2,(H2,18,19,20)(H2,21,22,23)
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n/an/a 1.48E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM39597
PNG
((2-benzoxyphenyl)phosphonic acid | (2-phenylmethox...)
Show SMILES OP(O)(=O)c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C13H13O4P/c14-18(15,16)13-9-5-4-8-12(13)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,14,15,16)
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n/an/a 1.54E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM40031
PNG
(MLS000095690 | N-[4-[5-(2-furanyl)-1-triazolyl]phe...)
Show SMILES O=C(Nc1ccc(cc1)-n1nncc1-c1ccco1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C22H14N4O4/c27-21(17-12-14-4-1-2-5-19(14)30-22(17)28)24-15-7-9-16(10-8-15)26-18(13-23-25-26)20-6-3-11-29-20/h1-13H,(H,24,27)
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n/an/a 1.73E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM41024
PNG
(MLS000519168 | SMR000129587 | [2-(2-chloranylpheno...)
Show SMILES OP(O)(=O)c1ccccc1C(=O)Oc1ccccc1Cl
Show InChI InChI=1S/C13H10ClO5P/c14-10-6-2-3-7-11(10)19-13(15)9-5-1-4-8-12(9)20(16,17)18/h1-8H,(H2,16,17,18)
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n/an/a 1.75E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM41014
PNG
((2E)-2-cyano-2-(3,4-dihydro-1H-quinolin-2-ylidene)...)
Show SMILES NC(=O)C(C#N)C1=Nc2ccccc2CC1 |t:6|
Show InChI InChI=1S/C12H11N3O/c13-7-9(12(14)16)11-6-5-8-3-1-2-4-10(8)15-11/h1-4,9H,5-6H2,(H2,14,16)
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n/an/a 1.85E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM40974
PNG
((3Z)-3-[(3,4-dimethoxyanilino)methylene]oxindole |...)
Show SMILES COc1ccc(cc1OC)N=CC1C(=O)Nc2ccccc12 |w:10.10|
Show InChI InChI=1S/C17H16N2O3/c1-21-15-8-7-11(9-16(15)22-2)18-10-13-12-5-3-4-6-14(12)19-17(13)20/h3-10,13H,1-2H3,(H,19,20)
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n/an/a 1.97E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM41087
PNG
(MLS000555365 | N-[4-[[2-(4-acetamidoanilino)-5-nit...)
Show SMILES CC(=O)Nc1ccc(Nc2ncc(c(Nc3ccc(NC(C)=O)cc3)n2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C20H19N7O4/c1-12(28)22-14-3-7-16(8-4-14)24-19-18(27(30)31)11-21-20(26-19)25-17-9-5-15(6-10-17)23-13(2)29/h3-11H,1-2H3,(H,22,28)(H,23,29)(H2,21,24,25,26)
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n/an/a 2.04E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM41028
PNG
(2-[(5Z)-5-[(E)-3-(2-furanyl)prop-2-enylidene]-4-ox...)
Show SMILES CC(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O
Show InChI InChI=1S/C13H11NO4S2/c1-8(12(16)17)14-11(15)10(20-13(14)19)6-2-4-9-5-3-7-18-9/h2-8H,1H3,(H,16,17)/b4-2+,10-6-
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n/an/a 2.16E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM40960
PNG
(2-[[[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]a...)
Show SMILES Cc1n[nH]c(NC=C2C(=O)CC(C)(C)CC2=O)c1-c1ccc(Cl)cc1 |(8.76,5.94,;7.85,4.69,;6.31,4.69,;5.84,3.23,;7.08,2.32,;7.08,.78,;5.75,.01,;5.75,-1.53,;7.08,-2.3,;8.41,-1.53,;7.08,-3.84,;5.75,-4.61,;4.98,-5.94,;6.52,-5.94,;4.41,-3.84,;4.41,-2.3,;3.08,-1.53,;8.33,3.23,;9.79,2.75,;10.11,1.25,;11.58,.77,;12.72,1.8,;14.19,1.33,;12.4,3.31,;10.94,3.78,)|
Show InChI InChI=1S/C19H20ClN3O2/c1-11-17(12-4-6-13(20)7-5-12)18(23-22-11)21-10-14-15(24)8-19(2,3)9-16(14)25/h4-7,10H,8-9H2,1-3H3,(H2,21,22,23)
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n/an/a 2.18E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM32280
PNG
(MLS000534769 | N-(4-acetylphenyl)-2,3-bis(2-furany...)
Show SMILES CC(=O)c1ccc(NC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)cc1
Show InChI InChI=1S/C25H17N3O4/c1-15(29)16-6-9-18(10-7-16)26-25(30)17-8-11-19-20(14-17)28-24(22-5-3-13-32-22)23(27-19)21-4-2-12-31-21/h2-14H,1H3,(H,26,30)
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n/an/a 2.40E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM40980
PNG
(3-[(2-chlorophenyl)sulfamoyl]-4-fluoranyl-benzoic ...)
Show SMILES OC(=O)c1ccc(F)c(c1)S(=O)(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C13H9ClFNO4S/c14-9-3-1-2-4-11(9)16-21(19,20)12-7-8(13(17)18)5-6-10(12)15/h1-7,16H,(H,17,18)
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n/an/a 2.45E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM40959
PNG
(5,5-dimethyl-2-[[(5-methyl-4-phenyl-1H-pyrazol-3-y...)
Show SMILES Cc1n[nH]c(NC=C2C(=O)CC(C)(C)CC2=O)c1-c1ccccc1 |(8.76,5.94,;7.85,4.69,;6.31,4.69,;5.84,3.23,;7.08,2.32,;7.08,.78,;5.75,.01,;5.75,-1.53,;4.41,-2.3,;3.08,-1.53,;4.41,-3.84,;5.75,-4.61,;4.98,-5.94,;6.52,-5.94,;7.08,-3.84,;7.08,-2.3,;8.41,-1.53,;8.33,3.23,;9.79,2.75,;10.11,1.25,;11.58,.77,;12.72,1.8,;12.4,3.31,;10.94,3.78,)|
Show InChI InChI=1S/C19H21N3O2/c1-12-17(13-7-5-4-6-8-13)18(22-21-12)20-11-14-15(23)9-19(2,3)10-16(14)24/h4-8,11H,9-10H2,1-3H3,(H2,20,21,22)
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n/an/a 2.57E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM41057
PNG
(MLS000544577 | N'-{2-(1-azepanyl)-5-nitrobenzy...)
Show SMILES [O-][N+](=O)c1ccc(N2CCCCCC2)c([CH+][N-]NC(=O)Cn2c3ccccc3c(=O)c3ccccc23)c1
Show InChI InChI=1S/C28H27N5O4/c34-27(19-32-25-11-5-3-9-22(25)28(35)23-10-4-6-12-26(23)32)30-29-18-20-17-21(33(36)37)13-14-24(20)31-15-7-1-2-8-16-31/h3-6,9-14,17-18H,1-2,7-8,15-16,19H2,(H,30,34)
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n/an/a 2.63E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM38173
PNG
(3-(2-indolo[3,2-b]quinoxalin-6-ylethyl)-1,3-benzox...)
Show SMILES O=c1oc2ccccc2n1CCn1c2ccccc2c2nc3ccccc3nc12
Show InChI InChI=1S/C23H16N4O2/c28-23-27(19-11-5-6-12-20(19)29-23)14-13-26-18-10-4-1-7-15(18)21-22(26)25-17-9-3-2-8-16(17)24-21/h1-12H,13-14H2
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n/an/a 2.66E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM33089
PNG
((3-methyl-4-pyrrolidino-phenyl)amine;hydrochloride...)
Show SMILES Cc1cc(N)ccc1N1CCCC1
Show InChI InChI=1S/C11H16N2/c1-9-8-10(12)4-5-11(9)13-6-2-3-7-13/h4-5,8H,2-3,6-7,12H2,1H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM40953
PNG
((2-carbophenoxy-3-chloro-phenyl)phosphonic acid | ...)
Show SMILES OP(O)(=O)c1cccc(Cl)c1C(=O)Oc1ccccc1
Show InChI InChI=1S/C13H10ClO5P/c14-10-7-4-8-11(20(16,17)18)12(10)13(15)19-9-5-2-1-3-6-9/h1-8H,(H2,16,17,18)
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n/an/a 2.70E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM50106345
PNG
(4-(4-Methyl-piperazin-1-yl)-phenylamine | CHEMBL34...)
Show SMILES CN1CCN(CC1)c1ccc(N)cc1
Show InChI InChI=1S/C11H17N3/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11/h2-5H,6-9,12H2,1H3
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n/an/a 2.75E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM41079
PNG
((3Z)-3-(1H-imidazol-5-ylmethylene)oxindole | (3Z)-...)
Show SMILES O=C1Nc2ccccc2C1=Cc1cnc[nH]1 |w:10.12|
Show InChI InChI=1S/C12H9N3O/c16-12-10(5-8-6-13-7-14-8)9-3-1-2-4-11(9)15-12/h1-7H,(H,13,14)(H,15,16)
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n/an/a 2.87E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM41021
PNG
((3Z)-3-(p-anisidinomethylene)oxindole | (3Z)-3-[(4...)
Show SMILES COc1ccc(cc1)N=CC1C(=O)Nc2ccccc12 |w:8.8|
Show InChI InChI=1S/C16H14N2O2/c1-20-12-8-6-11(7-9-12)17-10-14-13-4-2-3-5-15(13)18-16(14)19/h2-10,14H,1H3,(H,18,19)
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n/an/a 3.02E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM40712
PNG
(4-chloranyl-N-[(2-oxidanylideneacenaphthylen-1-yli...)
Show SMILES Clc1ccc(cc1)C(=O)NN=c1c2cccc3cccc(c23)c1=O |w:10.10|
Show InChI InChI=1S/C19H11ClN2O2/c20-13-9-7-12(8-10-13)19(24)22-21-17-14-5-1-3-11-4-2-6-15(16(11)14)18(17)23/h1-10H,(H,22,24)
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n/an/a 3.07E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM39316
PNG
((3Z)-3-[(3,4,5-trimethoxyanilino)methylene]oxindol...)
Show SMILES COc1cc(cc(OC)c1OC)N=CC1C(=O)Nc2ccccc12 |w:12.12|
Show InChI InChI=1S/C18H18N2O4/c1-22-15-8-11(9-16(23-2)17(15)24-3)19-10-13-12-6-4-5-7-14(12)20-18(13)21/h4-10,13H,1-3H3,(H,20,21)
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n/an/a 3.13E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM41094
PNG
(1-(9H-fluoren-2-yl)-2-[(4-methyl-5-phenyl-1,2,4-tr...)
Show SMILES Cn1c(SCC(=O)c2ccc-3c(Cc4ccccc-34)c2)nnc1-c1ccccc1
Show InChI InChI=1S/C24H19N3OS/c1-27-23(16-7-3-2-4-8-16)25-26-24(27)29-15-22(28)18-11-12-21-19(14-18)13-17-9-5-6-10-20(17)21/h2-12,14H,13,15H2,1H3
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n/an/a 3.19E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM41084
PNG
(MLS000571311 | N-(3-imidazo[1,2-a]pyridin-2-ylphen...)
Show SMILES O=C(Nc1cccc(c1)-c1cn2ccccc2n1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C23H15N3O3/c27-22(18-13-16-6-1-2-9-20(16)29-23(18)28)24-17-8-5-7-15(12-17)19-14-26-11-4-3-10-21(26)25-19/h1-14H,(H,24,27)
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n/an/a 3.25E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM32340
PNG
(3-ethyl-6-methoxy-1H-benzo[de]cinnoline | MLS00053...)
Show SMILES CCc1n[nH]c2cccc3c(OC)ccc1c23
Show InChI InChI=1S/C14H14N2O/c1-3-11-9-7-8-13(17-2)10-5-4-6-12(14(9)10)16-15-11/h4-8,16H,3H2,1-2H3
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n/an/a 3.28E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM41040
PNG
(3-(1H-benzimidazol-2-yl)-6-methoxy-N-(3-methoxyphe...)
Show SMILES COc1cccc(c1)\N=c1/oc2ccc(OC)cc2cc1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H19N3O3/c1-28-17-7-5-6-16(14-17)25-24-19(23-26-20-8-3-4-9-21(20)27-23)13-15-12-18(29-2)10-11-22(15)30-24/h3-14H,1-2H3,(H,26,27)/b25-24-
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n/an/a 3.29E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM40957
PNG
(5,8-bis(chloranyl)-2,3,4,9-tetrahydropyrido[3,4-b]...)
Show SMILES Clc1ccc(Cl)c2c3CCNC(=O)c3[nH]c12
Show InChI InChI=1S/C11H8Cl2N2O/c12-6-1-2-7(13)10-8(6)5-3-4-14-11(16)9(5)15-10/h1-2,15H,3-4H2,(H,14,16)
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n/an/a 3.40E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM40951
PNG
(2-[2-[[2-methoxyethyl-(phenylmethyl)amino]-oxidany...)
Show SMILES COCCN(Cc1ccccc1)P(O)(=O)c1ccccc1OCC(O)=O
Show InChI InChI=1S/C18H22NO6P/c1-24-12-11-19(13-15-7-3-2-4-8-15)26(22,23)17-10-6-5-9-16(17)25-14-18(20)21/h2-10H,11-14H2,1H3,(H,20,21)(H,22,23)
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n/an/a 3.45E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM40958
PNG
((6E)-6-[2-amino-5-(4-methoxyphenyl)-1H-pyrimidin-6...)
Show SMILES COc1ccc(cc1)-c1cnc(N)nc1-c1ccc(OC)cc1O
Show InChI InChI=1S/C18H17N3O3/c1-23-12-5-3-11(4-6-12)15-10-20-18(19)21-17(15)14-8-7-13(24-2)9-16(14)22/h3-10,22H,1-2H3,(H2,19,20,21)
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n/an/a 3.49E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM31754
PNG
(MLS-0010366.0001 | N-(5-phenyl-1,2,4-thiadiazol-3-...)
Show SMILES O=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1nsc(n1)-c1ccccc1
Show InChI InChI=1S/C20H14N6OS3/c27-16(21-18-22-17(30-25-18)14-9-5-2-6-10-14)12-29-20-24-23-19-26(20)15(11-28-19)13-7-3-1-4-8-13/h1-11H,12H2,(H,21,25,27)
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n/an/a 3.57E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM40969
PNG
((3Z)-3-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)met...)
Show SMILES O=C1Nc2ccccc2C1C=Nc1ccc2OCCOc2c1 |w:11.13|
Show InChI InChI=1S/C17H14N2O3/c20-17-13(12-3-1-2-4-14(12)19-17)10-18-11-5-6-15-16(9-11)22-8-7-21-15/h1-6,9-10,13H,7-8H2,(H,19,20)
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n/an/a 3.74E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM41012
PNG
(1-[4-(2-phenyl-4-pyrimidinyl)phenyl]-1H-1,3-benzim...)
Show SMILES c1nc2ccccc2n1-c1ccc(cc1)-c1ccnc(n1)-c1ccccc1
Show InChI InChI=1S/C23H16N4/c1-2-6-18(7-3-1)23-24-15-14-20(26-23)17-10-12-19(13-11-17)27-16-25-21-8-4-5-9-22(21)27/h1-16H
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n/an/a 3.76E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM40962
PNG
(3-(trifluoromethyl)-5H-pyrido[2,3-b][1,4]benzothia...)
Show SMILES FC(F)(F)c1cnc2Sc3ccccc3Nc2c1
Show InChI InChI=1S/C12H7F3N2S/c13-12(14,15)7-5-9-11(16-6-7)18-10-4-2-1-3-8(10)17-9/h1-6,17H
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n/an/a 3.87E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM41065
PNG
(2-(2-Cyclopropyl-quinazolin-4-ylsulfanyl)-1-(3,4-d...)
Show SMILES O=C(CSc1nc(nc2ccccc12)C1CC1)N1CCc2ccccc2C1
Show InChI InChI=1S/C22H21N3OS/c26-20(25-12-11-15-5-1-2-6-17(15)13-25)14-27-22-18-7-3-4-8-19(18)23-21(24-22)16-9-10-16/h1-8,16H,9-14H2
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n/an/a 3.91E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM41073
PNG
(MLS000325120 | N'-(3-fluorobenzylidene)-2-(2-f...)
Show SMILES Fc1cccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)c1 |w:7.7|
Show InChI InChI=1S/C21H14FN3O2/c22-15-6-3-5-14(11-15)13-23-25-21(26)17-12-19(20-9-4-10-27-20)24-18-8-2-1-7-16(17)18/h1-13H,(H,25,26)
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n/an/a 3.94E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM41047
PNG
(5-(4-fluorophenyl)-7-phenyl-4-pyrido[2,3-d]pyrimid...)
Show SMILES Nc1ncnc2nc(cc(-c3ccc(F)cc3)c12)-c1ccccc1
Show InChI InChI=1S/C19H13FN4/c20-14-8-6-12(7-9-14)15-10-16(13-4-2-1-3-5-13)24-19-17(15)18(21)22-11-23-19/h1-11H,(H2,21,22,23,24)
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n/an/a 4.01E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM41060
PNG
(8-(2-thienyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,...)
Show SMILES O=C1CCCC2=C1C(Nc1ccc3ncccc3c21)c1cccs1 |c:5|
Show InChI InChI=1S/C20H16N2OS/c23-16-6-1-4-13-18-12-5-2-10-21-14(12)8-9-15(18)22-20(19(13)16)17-7-3-11-24-17/h2-3,5,7-11,20,22H,1,4,6H2
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n/an/a 4.03E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM40966
PNG
(2,2-dichloro-1-[(2,2-dimethylpropanoyl)amino]vinyl...)
Show SMILES [#6]C([#6])([#6])[#6](=O)-[#7]\[#6](=[#6](/Cl)Cl)P([#8])([#8])=O
Show InChI InChI=1S/C7H12Cl2NO4P/c1-7(2,3)6(11)10-5(4(8)9)15(12,13)14/h1-3H3,(H,10,11)(H2,12,13,14)
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n/an/a 4.06E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM34474
PNG
(5-bromanyl-N-[2-methoxy-5-(2-oxidanylidenechromen-...)
Show SMILES COc1ccc(cc1NC(=O)c1ccc(Br)o1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C21H14BrNO5/c1-26-17-7-6-12(11-15(17)23-20(24)18-8-9-19(22)27-18)14-10-13-4-2-3-5-16(13)28-21(14)25/h2-11H,1H3,(H,23,24)
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n/an/a 4.07E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM40727
PNG
(MLS000537135 | N'-(4-fluorobenzylidene)-2-(2-f...)
Show SMILES Fc1ccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1 |w:6.6|
Show InChI InChI=1S/C21H14FN3O2/c22-15-9-7-14(8-10-15)13-23-25-21(26)17-12-19(20-6-3-11-27-20)24-18-5-2-1-4-16(17)18/h1-13H,(H,25,26)
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n/an/a 4.14E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM41088
PNG
(MLS000581961 | N-({[2-methoxy-5-(2-oxo-2H-chromen-...)
Show SMILES COc1ccc(cc1NC(=S)NC(=O)c1ccc2OCCOc2c1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C26H20N2O6S/c1-31-21-8-6-15(18-12-16-4-2-3-5-20(16)34-25(18)30)13-19(21)27-26(35)28-24(29)17-7-9-22-23(14-17)33-11-10-32-22/h2-9,12-14H,10-11H2,1H3,(H2,27,28,29,35)
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n/an/a 4.16E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM40956
PNG
(1-[2-[4-(4-chlorobenzyl)oxyphenyl]-4-cyano-oxazol-...)
Show SMILES NC(=O)C1CCN(CC1)c1oc(nc1C#N)-c1ccc(OCc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C23H21ClN4O3/c24-18-5-1-15(2-6-18)14-30-19-7-3-17(4-8-19)22-27-20(13-25)23(31-22)28-11-9-16(10-12-28)21(26)29/h1-8,16H,9-12,14H2,(H2,26,29)
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n/an/a 4.26E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM41093
PNG
(3,6-bis(chloranyl)-N-[3-([1,3]oxazolo[4,5-b]pyridi...)
Show SMILES Clc1c(sc2cc(Cl)ccc12)C(=O)Nc1cccc(c1)-c1nc2ncccc2o1
Show InChI InChI=1S/C21H11Cl2N3O2S/c22-12-6-7-14-16(10-12)29-18(17(14)23)20(27)25-13-4-1-3-11(9-13)21-26-19-15(28-21)5-2-8-24-19/h1-10H,(H,25,27)
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n/an/a 4.27E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM41050
PNG
((5Z)-5-(4-chlorobenzylidene)-4-(p-phenetidino)-3-t...)
Show SMILES CCOc1ccc(NC2=NC(=O)SC2=Cc2ccc(Cl)cc2)cc1 |w:14.15,t:8|
Show InChI InChI=1S/C18H15ClN2O2S/c1-2-23-15-9-7-14(8-10-15)20-17-16(24-18(22)21-17)11-12-3-5-13(19)6-4-12/h3-11H,2H2,1H3,(H,20,21,22)
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n/an/a 4.38E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM40998
PNG
(MLS000108784 | SMR000104735 | cid_1356461)
Show SMILES Cc1c(N2C(=O)c3ccc4CCc5ccc(C2=O)c3c45)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C25H19N3O3/c1-14-22(25(31)28(26(14)2)17-6-4-3-5-7-17)27-23(29)18-12-10-15-8-9-16-11-13-19(24(27)30)21(18)20(15)16/h3-7,10-13H,8-9H2,1-2H3
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n/an/a 4.39E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM41017
PNG
((1Z)-1-[(4-morpholin-4-ylanilino)methylidene]napht...)
Show SMILES Oc1ccc2ccccc2c1C=Nc1ccc(cc1)N1CCOCC1 |w:12.14|
Show InChI InChI=1S/C21H20N2O2/c24-21-10-5-16-3-1-2-4-19(16)20(21)15-22-17-6-8-18(9-7-17)23-11-13-25-14-12-23/h1-10,15,24H,11-14H2
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n/an/a 4.44E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM40936
PNG
((2-Cyclopropyl-quinazolin-4-ylsulfanyl)-acetic aci...)
Show SMILES CCOC(=O)CSc1nc(nc2ccccc12)C1CC1
Show InChI InChI=1S/C15H16N2O2S/c1-2-19-13(18)9-20-15-11-5-3-4-6-12(11)16-14(17-15)10-7-8-10/h3-6,10H,2,7-9H2,1H3
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n/an/a 4.51E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))		BDBM40964
PNG
(4-chloranyl-N-(1-propylbenzimidazol-2-yl)-3-pyrrol...)
Show SMILES CCCn1c(NC(=O)c2ccc(Cl)c(c2)S(=O)(=O)N2CCCC2)nc2ccccc12
Show InChI InChI=1S/C21H23ClN4O3S/c1-2-11-26-18-8-4-3-7-17(18)23-21(26)24-20(27)15-9-10-16(22)19(14-15)30(28,29)25-12-5-6-13-25/h3-4,7-10,14H,2,5-6,11-13H2,1H3,(H,23,24,27)
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n/an/a 4.62E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 210 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%