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PubMed code 26390252

Compile data set for download or QSAR
Found 12 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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM163700
PNG
(N-(5-((4-((4-ethylpiperazin-1-yl)methyl)-3-(triflu...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cncc(c4)-c4cnn(C)c4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C32H34F3N7O2/c1-4-41-9-11-42(12-10-41)20-23-7-8-27(15-28(23)32(33,34)35)38-30(43)22-6-5-21(2)29(14-22)39-31(44)25-13-24(16-36-17-25)26-18-37-40(3)19-26/h5-8,13-19H,4,9-12,20H2,1-3H3,(H,38,43)(H,39,44)
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n/an/a 12n/an/an/an/an/an/a



Dana-Farber Cancer Institute



Assay Description
The enzymatic activities DDR2 were tested in LanthaScreen binding assays. The protocol is available from Life Technologies.

ACS Chem Biol 10: 2687-96 (2015)


Article DOI: 10.1021/acschembio.5b00655
BindingDB Entry DOI: 10.7270/Q2SX6BZ1
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM163701
PNG
(N-[5-({4-[(4-ethylpiperazin-1-yl)methyl]-3-(triflu...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cncc(c4)-c4cccs4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C32H32F3N5O2S/c1-3-39-10-12-40(13-11-39)20-23-8-9-26(17-27(23)32(33,34)35)37-30(41)22-7-6-21(2)28(16-22)38-31(42)25-15-24(18-36-19-25)29-5-4-14-43-29/h4-9,14-19H,3,10-13,20H2,1-2H3,(H,37,41)(H,38,42)
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n/an/a 14n/an/an/an/an/an/a



Dana-Farber Cancer Institute



Assay Description
The enzymatic activities DDR2 were tested in LanthaScreen binding assays. The protocol is available from Life Technologies.

ACS Chem Biol 10: 2687-96 (2015)


Article DOI: 10.1021/acschembio.5b00655
BindingDB Entry DOI: 10.7270/Q2SX6BZ1
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))		BDBM50297825
PNG
(5-(2-methyl-5-(3-(trifluoromethyl)phenylcarbamoyl)...)
Show SMILES Cc1ccc(cc1Nc1cncc(c1)C(N)=O)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H17F3N4O2/c1-12-5-6-13(8-18(12)27-17-7-14(19(25)29)10-26-11-17)20(30)28-16-4-2-3-15(9-16)21(22,23)24/h2-11,27H,1H3,(H2,25,29)(H,28,30)
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n/an/a 19n/an/an/an/an/an/a



Dana-Farber Cancer Institute



Assay Description
The enzymatic activities DDR2 were tested in LanthaScreen binding assays. The protocol is available from Life Technologies.

ACS Chem Biol 10: 2687-96 (2015)


Article DOI: 10.1021/acschembio.5b00655
BindingDB Entry DOI: 10.7270/Q2SX6BZ1
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))		BDBM163698
PNG
(5-((2-Methyl-5-((3-(4-methylpiperazin-1-yl)-5-(tri...)
Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(C)c(Nc3cncc(c3)C(N)=O)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C26H27F3N6O2/c1-16-3-4-17(10-23(16)32-21-9-18(24(30)36)14-31-15-21)25(37)33-20-11-19(26(27,28)29)12-22(13-20)35-7-5-34(2)6-8-35/h3-4,9-15,32H,5-8H2,1-2H3,(H2,30,36)(H,33,37)
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n/an/a 22n/an/an/an/an/an/a



Dana-Farber Cancer Institute



Assay Description
The enzymatic activities DDR2 were tested in LanthaScreen binding assays. The protocol is available from Life Technologies.

ACS Chem Biol 10: 2687-96 (2015)


Article DOI: 10.1021/acschembio.5b00655
BindingDB Entry DOI: 10.7270/Q2SX6BZ1
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))		BDBM163699
PNG
(N-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluorom...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(cc3)-c3ccc4ccncc4c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C31H31F3N4O/c1-2-37-13-15-38(16-14-37)21-26-9-10-28(19-29(26)31(32,33)34)36-30(39)17-22-3-5-23(6-4-22)25-8-7-24-11-12-35-20-27(24)18-25/h3-12,18-20H,2,13-17,21H2,1H3,(H,36,39)
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n/an/a 46n/an/an/an/an/an/a



Dana-Farber Cancer Institute



Assay Description
The enzymatic activities DDR2 were tested in LanthaScreen binding assays. The protocol is available from Life Technologies.

ACS Chem Biol 10: 2687-96 (2015)


Article DOI: 10.1021/acschembio.5b00655
BindingDB Entry DOI: 10.7270/Q2SX6BZ1
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))		BDBM163701
PNG
(N-[5-({4-[(4-ethylpiperazin-1-yl)methyl]-3-(triflu...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cncc(c4)-c4cccs4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C32H32F3N5O2S/c1-3-39-10-12-40(13-11-39)20-23-8-9-26(17-27(23)32(33,34)35)37-30(41)22-7-6-21(2)28(16-22)38-31(42)25-15-24(18-36-19-25)29-5-4-14-43-29/h4-9,14-19H,3,10-13,20H2,1-2H3,(H,37,41)(H,38,42)
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n/an/a 51n/an/an/an/an/an/a



Dana-Farber Cancer Institute



Assay Description
The enzymatic activities DDR2 were tested in LanthaScreen binding assays. The protocol is available from Life Technologies.

ACS Chem Biol 10: 2687-96 (2015)


Article DOI: 10.1021/acschembio.5b00655
BindingDB Entry DOI: 10.7270/Q2SX6BZ1
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))		BDBM163700
PNG
(N-(5-((4-((4-ethylpiperazin-1-yl)methyl)-3-(triflu...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cncc(c4)-c4cnn(C)c4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C32H34F3N7O2/c1-4-41-9-11-42(12-10-41)20-23-7-8-27(15-28(23)32(33,34)35)38-30(43)22-6-5-21(2)29(14-22)39-31(44)25-13-24(16-36-17-25)26-18-37-40(3)19-26/h5-8,13-19H,4,9-12,20H2,1-3H3,(H,38,43)(H,39,44)
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n/an/a 56n/an/an/an/an/an/a



Dana-Farber Cancer Institute



Assay Description
The enzymatic activities DDR2 were tested in LanthaScreen binding assays. The protocol is available from Life Technologies.

ACS Chem Biol 10: 2687-96 (2015)


Article DOI: 10.1021/acschembio.5b00655
BindingDB Entry DOI: 10.7270/Q2SX6BZ1
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))		BDBM163697
PNG
(N-{4-methyl-3-[(2-oxo-1,3-dihydroindol-5-yl)oxy]ph...)
Show SMILES CN1CCC(CC1)Oc1ccc(cc1C(F)(F)F)C(=O)Nc1ccc(C)c(Oc2ccc3NC(=O)Cc3c2)c1
Show InChI InChI=1S/C29H28F3N3O4/c1-17-3-5-20(16-26(17)39-22-6-7-24-19(13-22)15-27(36)34-24)33-28(37)18-4-8-25(23(14-18)29(30,31)32)38-21-9-11-35(2)12-10-21/h3-8,13-14,16,21H,9-12,15H2,1-2H3,(H,33,37)(H,34,36)
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n/an/a 388n/an/an/an/an/an/a



Dana-Farber Cancer Institute



Assay Description
The enzymatic activities DDR2 were tested in LanthaScreen binding assays. The protocol is available from Life Technologies.

ACS Chem Biol 10: 2687-96 (2015)


Article DOI: 10.1021/acschembio.5b00655
BindingDB Entry DOI: 10.7270/Q2SX6BZ1
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50297825
PNG
(5-(2-methyl-5-(3-(trifluoromethyl)phenylcarbamoyl)...)
Show SMILES Cc1ccc(cc1Nc1cncc(c1)C(N)=O)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H17F3N4O2/c1-12-5-6-13(8-18(12)27-17-7-14(19(25)29)10-26-11-17)20(30)28-16-4-2-3-15(9-16)21(22,23)24/h2-11,27H,1H3,(H2,25,29)(H,28,30)
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n/an/a 753n/an/an/an/an/an/a



Dana-Farber Cancer Institute



Assay Description
The enzymatic activities DDR2 were tested in LanthaScreen binding assays. The protocol is available from Life Technologies.

ACS Chem Biol 10: 2687-96 (2015)


Article DOI: 10.1021/acschembio.5b00655
BindingDB Entry DOI: 10.7270/Q2SX6BZ1
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM163699
PNG
(N-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluorom...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(cc3)-c3ccc4ccncc4c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C31H31F3N4O/c1-2-37-13-15-38(16-14-37)21-26-9-10-28(19-29(26)31(32,33)34)36-30(39)17-22-3-5-23(6-4-22)25-8-7-24-11-12-35-20-27(24)18-25/h3-12,18-20H,2,13-17,21H2,1H3,(H,36,39)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute



Assay Description
The enzymatic activities DDR2 were tested in LanthaScreen binding assays. The protocol is available from Life Technologies.

ACS Chem Biol 10: 2687-96 (2015)


Article DOI: 10.1021/acschembio.5b00655
BindingDB Entry DOI: 10.7270/Q2SX6BZ1
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM163697
PNG
(N-{4-methyl-3-[(2-oxo-1,3-dihydroindol-5-yl)oxy]ph...)
Show SMILES CN1CCC(CC1)Oc1ccc(cc1C(F)(F)F)C(=O)Nc1ccc(C)c(Oc2ccc3NC(=O)Cc3c2)c1
Show InChI InChI=1S/C29H28F3N3O4/c1-17-3-5-20(16-26(17)39-22-6-7-24-19(13-22)15-27(36)34-24)33-28(37)18-4-8-25(23(14-18)29(30,31)32)38-21-9-11-35(2)12-10-21/h3-8,13-14,16,21H,9-12,15H2,1-2H3,(H,33,37)(H,34,36)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute



Assay Description
The enzymatic activities DDR2 were tested in LanthaScreen binding assays. The protocol is available from Life Technologies.

ACS Chem Biol 10: 2687-96 (2015)


Article DOI: 10.1021/acschembio.5b00655
BindingDB Entry DOI: 10.7270/Q2SX6BZ1
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM163698
PNG
(5-((2-Methyl-5-((3-(4-methylpiperazin-1-yl)-5-(tri...)
Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(C)c(Nc3cncc(c3)C(N)=O)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C26H27F3N6O2/c1-16-3-4-17(10-23(16)32-21-9-18(24(30)36)14-31-15-21)25(37)33-20-11-19(26(27,28)29)12-22(13-20)35-7-5-34(2)6-8-35/h3-4,9-15,32H,5-8H2,1-2H3,(H2,30,36)(H,33,37)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Dana-Farber Cancer Institute



Assay Description
The enzymatic activities DDR2 were tested in LanthaScreen binding assays. The protocol is available from Life Technologies.

ACS Chem Biol 10: 2687-96 (2015)


Article DOI: 10.1021/acschembio.5b00655
BindingDB Entry DOI: 10.7270/Q2SX6BZ1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%