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Found 228 hits Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase ROS' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 ROS


(Homo sapiens (Human))
BDBM50448785
PNG
(CHEMBL3128069)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1
Show InChI InChI=1S/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/m1/s1
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0.0200n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin) by Pfizer mobility shift assay


Citation and Details
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50018830
PNG
(CHEMBL3286830)
Show SMILES C[C@H]1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nn(C)c2C#N
Show InChI InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)/t11-/m1/s1
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<0.0200n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin) by off-chip mobility shift assay


Citation and Details
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ROS


Citation and Details
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 0.0700n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of ROS1 by HotSpot assay relative to control


Citation and Details
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM130912
PNG
(US8822500, [1])
Show SMILES C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(CCN(C)C)Cc3cc2[nH]1
Show InChI InChI=1S/C27H27F4N6O2/c1-13(8-16-23(30)17(28)11-18(29)24(16)31)33-19-4-5-32-26(38)22(19)25-34-20-9-14-12-37(7-6-36(2)3)27(39)15(14)10-21(20)35-25/h4-5,9-11,13,34-35H,6-8,12H2,1-3H3,(H2,32,33,38)/t13-/m0/s1
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n/an/a 0.205n/an/an/an/an/an/a



Chembridge Corporation

US Patent


Assay Description
Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...


US Patent US8822500 (2014)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM144323
PNG
(US8969336, 567)
Show SMILES CC(C)c1nc(C(N)=O)c(Nc2ccc(cc2)N2CCN(C)CC2)nc1N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C25H37N7O2/c1-16(2)21-24(27-18-6-10-20(33)11-7-18)30-25(22(29-21)23(26)34)28-17-4-8-19(9-5-17)32-14-12-31(3)13-15-32/h4-5,8-9,16,18,20,33H,6-7,10-15H2,1-3H3,(H2,26,34)(H2,27,28,30)/t18-,20-
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n/an/a 0.230n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A partial protein of only a kinase domain of ROS protein was purchased from Carna Biosciences Inc., Japan, and tests were conducted as in Test Exampl...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM130909
PNG
(US8822500, Stauro- sporine)
Show SMILES CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)
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n/an/a 0.248n/an/an/an/an/an/a



Chembridge Corporation

US Patent


Assay Description
Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...


US Patent US8822500 (2014)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM144318
PNG
(US8969336, 553 | US8969336, 580)
Show SMILES COc1cc(Nc2nc(NC3CCOCC3)c(nc2C(N)=O)C(C)C)ccc1N1CCN(C)CC1
Show InChI InChI=1S/C25H37N7O3/c1-16(2)21-24(27-17-7-13-35-14-8-17)30-25(22(29-21)23(26)33)28-18-5-6-19(20(15-18)34-4)32-11-9-31(3)10-12-32/h5-6,15-17H,7-14H2,1-4H3,(H2,26,33)(H2,27,28,30)
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n/an/a 0.290n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A partial protein of only a kinase domain of ROS protein was purchased from Carna Biosciences Inc., Japan, and tests were conducted as in Test Exampl...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM130910
PNG
(US8822500, [4])
Show SMILES C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(Cc3cc2[nH]1)C1CCN(C)CC1
Show InChI InChI=1S/C29H29F4N6O2/c1-14(9-18-25(32)19(30)12-20(31)26(18)33)35-21-3-6-34-28(40)24(21)27-36-22-10-15-13-39(16-4-7-38(2)8-5-16)29(41)17(15)11-23(22)37-27/h3,6,10-12,14,16,36-37H,4-5,7-9,13H2,1-2H3,(H2,34,35,40)/t14-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Chembridge Corporation

US Patent


Assay Description
Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...


US Patent US8822500 (2014)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM144328
PNG
(US8969336, 572)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(CC3)C(C)C)c(C)c2)nc1N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C27H41N7O2/c1-5-22-26(29-19-6-9-21(35)10-7-19)32-27(24(31-22)25(28)36)30-20-8-11-23(18(4)16-20)34-14-12-33(13-15-34)17(2)3/h8,11,16-17,19,21,35H,5-7,9-10,12-15H2,1-4H3,(H2,28,36)(H2,29,30,32)/t19-,21-
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n/an/a 0.370n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A partial protein of only a kinase domain of ROS protein was purchased from Carna Biosciences Inc., Japan, and tests were conducted as in Test Exampl...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM144321
PNG
(US8969336, 565)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(cc2)N2CCN(C)CC2)nc1N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C24H35N7O2/c1-3-20-23(26-17-6-10-19(32)11-7-17)29-24(21(28-20)22(25)33)27-16-4-8-18(9-5-16)31-14-12-30(2)13-15-31/h4-5,8-9,17,19,32H,3,6-7,10-15H2,1-2H3,(H2,25,33)(H2,26,27,29)/t17-,19-
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n/an/a 0.400n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A partial protein of only a kinase domain of ROS protein was purchased from Carna Biosciences Inc., Japan, and tests were conducted as in Test Exampl...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM144319
PNG
(US8969336, 554 | US8969336, 581)
Show SMILES CC(C)c1nc(C(N)=O)c(Nc2ccc(cc2)N2CCN(C)CC2)nc1NC1CCOCC1
Show InChI InChI=1S/C24H35N7O2/c1-16(2)20-23(27-18-8-14-33-15-9-18)29-24(21(28-20)22(25)32)26-17-4-6-19(7-5-17)31-12-10-30(3)11-13-31/h4-7,16,18H,8-15H2,1-3H3,(H2,25,32)(H2,26,27,29)
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n/an/a 0.410n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A partial protein of only a kinase domain of ROS protein was purchased from Carna Biosciences Inc., Japan, and tests were conducted as in Test Exampl...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM130911
PNG
(US8822500, [2])
Show SMILES C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3C(=O)N(CCN(C)C)C(=O)c3cc2[nH]1
Show InChI InChI=1S/C27H25F4N6O3/c1-12(8-15-22(30)16(28)11-17(29)23(15)31)33-18-4-5-32-25(38)21(18)24-34-19-9-13-14(10-20(19)35-24)27(40)37(26(13)39)7-6-36(2)3/h4-5,9-12,34-35H,6-8H2,1-3H3,(H2,32,33,38)/t12-/m0/s1
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n/an/a 0.436n/an/an/an/an/an/a



Chembridge Corporation

US Patent


Assay Description
Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...


US Patent US8822500 (2014)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM144326
PNG
(US8969336, 570)
Show SMILES CC(C)c1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(c2)C(F)(F)F)nc1N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C31H45F3N8O2/c1-19(2)26-29(36-20-4-7-23(43)8-5-20)39-30(27(38-26)28(35)44)37-21-6-9-25(24(18-21)31(32,33)34)42-12-10-22(11-13-42)41-16-14-40(3)15-17-41/h6,9,18-20,22-23,43H,4-5,7-8,10-17H2,1-3H3,(H2,35,44)(H2,36,37,39)/t20-,23-
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n/an/a 0.510n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A partial protein of only a kinase domain of ROS protein was purchased from Carna Biosciences Inc., Japan, and tests were conducted as in Test Exampl...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM144316
PNG
(US8969336, 549 | US8969336, 578)
Show SMILES CC(C)c1nc(C(N)=O)c(Nc2ccc(cc2)N2CCC(CC2)N2CCN(C)CC2)nc1NC1CCOCC1
Show InChI InChI=1S/C29H44N8O2/c1-20(2)25-28(32-22-10-18-39-19-11-22)34-29(26(33-25)27(30)38)31-21-4-6-23(7-5-21)36-12-8-24(9-13-36)37-16-14-35(3)15-17-37/h4-7,20,22,24H,8-19H2,1-3H3,(H2,30,38)(H2,31,32,34)
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n/an/a 0.510n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A partial protein of only a kinase domain of ROS protein was purchased from Carna Biosciences Inc., Japan, and tests were conducted as in Test Exampl...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM144317
PNG
(US8969336, 550 | US8969336, 579)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)c(F)c2)nc1NC1CCOCC1
Show InChI InChI=1S/C23H32FN7O2/c1-3-18-22(26-15-6-12-33-13-7-15)29-23(20(28-18)21(25)32)27-16-4-5-19(17(24)14-16)31-10-8-30(2)9-11-31/h4-5,14-15H,3,6-13H2,1-2H3,(H2,25,32)(H2,26,27,29)
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n/an/a 0.580n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A partial protein of only a kinase domain of ROS protein was purchased from Carna Biosciences Inc., Japan, and tests were conducted as in Test Exampl...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM144325
PNG
(US8969336, 569)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(C)c2)nc1N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C30H46N8O2/c1-4-25-29(32-21-5-8-24(39)9-6-21)35-30(27(34-25)28(31)40)33-22-7-10-26(20(2)19-22)38-13-11-23(12-14-38)37-17-15-36(3)16-18-37/h7,10,19,21,23-24,39H,4-6,8-9,11-18H2,1-3H3,(H2,31,40)(H2,32,33,35)/t21-,24-
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n/an/a 0.650n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A partial protein of only a kinase domain of ROS protein was purchased from Carna Biosciences Inc., Japan, and tests were conducted as in Test Exampl...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM130919
PNG
(US8822500, [18])
Show SMILES CC(Cc1cc(F)ccc1F)Nc1cc[nH]c(=O)c1-c1nc2cc3CN(CCN(C)C)C(=O)c3cc2[nH]1
Show InChI InChI=1S/C27H28F2N6O2/c1-15(10-16-11-18(28)4-5-20(16)29)31-21-6-7-30-26(36)24(21)25-32-22-12-17-14-35(9-8-34(2)3)27(37)19(17)13-23(22)33-25/h4-7,11-13,15H,8-10,14H2,1-3H3,(H,32,33)(H2,30,31,36)
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n/an/a 0.688n/an/an/an/an/an/a



Chembridge Corporation

US Patent


Assay Description
Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...


US Patent US8822500 (2014)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50306682
PNG
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Korea University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM144329
PNG
(US8969336, 573)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(C)c2)nc1N[C@H]1CC[C@](C)(O)CC1
Show InChI InChI=1/C31H48N8O2/c1-5-25-29(33-22-8-12-31(3,41)13-9-22)36-30(27(35-25)28(32)40)34-23-6-7-26(21(2)20-23)39-14-10-24(11-15-39)38-18-16-37(4)17-19-38/h6-7,20,22,24,41H,5,8-19H2,1-4H3,(H2,32,40)(H2,33,34,36)/t22-,31-
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n/an/a 0.780n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A partial protein of only a kinase domain of ROS protein was purchased from Carna Biosciences Inc., Japan, and tests were conducted as in Test Exampl...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM144322
PNG
(US8969336, 566)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(cc2)N2CCC(CC2)N2CCN(C)CC2)nc1N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C29H44N8O2/c1-3-25-28(31-21-6-10-24(38)11-7-21)34-29(26(33-25)27(30)39)32-20-4-8-22(9-5-20)36-14-12-23(13-15-36)37-18-16-35(2)17-19-37/h4-5,8-9,21,23-24,38H,3,6-7,10-19H2,1-2H3,(H2,30,39)(H2,31,32,34)/t21-,24-
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n/an/a 0.860n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A partial protein of only a kinase domain of ROS protein was purchased from Carna Biosciences Inc., Japan, and tests were conducted as in Test Exampl...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM144327
PNG
(US8969336, 571)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(C)c2)nc1N[C@H]1CC[C@@](C)(O)CC1
Show InChI InChI=1/C31H48N8O2/c1-5-25-29(33-22-8-12-31(3,41)13-9-22)36-30(27(35-25)28(32)40)34-23-6-7-26(21(2)20-23)39-14-10-24(11-15-39)38-18-16-37(4)17-19-38/h6-7,20,22,24,41H,5,8-19H2,1-4H3,(H2,32,40)(H2,33,34,36)/t22-,31+
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n/an/a 0.860n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A partial protein of only a kinase domain of ROS protein was purchased from Carna Biosciences Inc., Japan, and tests were conducted as in Test Exampl...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a<1n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of ROS


Citation and Details
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a<1n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin) after 40 mins by scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM144324
PNG
(US8969336, 568)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(c2)C(F)(F)F)nc1N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C30H43F3N8O2/c1-3-24-28(35-19-4-7-22(42)8-5-19)38-29(26(37-24)27(34)43)36-20-6-9-25(23(18-20)30(31,32)33)41-12-10-21(11-13-41)40-16-14-39(2)15-17-40/h6,9,18-19,21-22,42H,3-5,7-8,10-17H2,1-2H3,(H2,34,43)(H2,35,36,38)/t19-,22-
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n/an/a 1n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A partial protein of only a kinase domain of ROS protein was purchased from Carna Biosciences Inc., Japan, and tests were conducted as in Test Exampl...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM144320
PNG
(US8969336, 558 | US8969336, 582)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(CC3)C3CCN(C)CC3)c(C)c2)nc1NC1CCOCC1
Show InChI InChI=1S/C29H44N8O2/c1-4-24-28(31-21-9-17-39-18-10-21)34-29(26(33-24)27(30)38)32-22-5-6-25(20(2)19-22)37-15-13-36(14-16-37)23-7-11-35(3)12-8-23/h5-6,19,21,23H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34)
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n/an/a 1.20n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A partial protein of only a kinase domain of ROS protein was purchased from Carna Biosciences Inc., Japan, and tests were conducted as in Test Exampl...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM144309
PNG
(US8969336, 512 | US8969336, 574)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(C)c2)nc1NC1CCOCC1
Show InChI InChI=1S/C29H44N8O2/c1-4-24-28(31-21-9-17-39-18-10-21)34-29(26(33-24)27(30)38)32-22-5-6-25(20(2)19-22)37-11-7-23(8-12-37)36-15-13-35(3)14-16-36/h5-6,19,21,23H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34)
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n/an/a 1.30n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A partial protein of only a kinase domain of ROS protein was purchased from Carna Biosciences Inc., Japan, and tests were conducted as in Test Exampl...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM144331
PNG
(US8969336, 575)
Show SMILES CN1CCN(CC1)C1CCN(CC1)c1ccc(Nc2nc(N[C@H]3CC[C@H](O)CC3)c(Cl)nc2C(N)=O)cc1C
Show InChI InChI=1/C28H41ClN8O2/c1-18-17-20(5-8-23(18)37-11-9-21(10-12-37)36-15-13-35(2)14-16-36)32-27-24(26(30)39)33-25(29)28(34-27)31-19-3-6-22(38)7-4-19/h5,8,17,19,21-22,38H,3-4,6-7,9-16H2,1-2H3,(H2,30,39)(H2,31,32,34)/t19-,22-
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n/an/a 1.60n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A partial protein of only a kinase domain of ROS protein was purchased from Carna Biosciences Inc., Japan, and tests were conducted as in Test Exampl...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50296896
PNG
((S)-2-(3-(3-hydroxy-5-methylphenyl)-4-(6-(2-hydrox...)
Show SMILES C[C@H](O)CNc1cc(nc(n1)-c1cccnc1)-c1cn(CC#N)nc1-c1cc(C)cc(O)c1
Show InChI InChI=1S/C24H23N7O2/c1-15-8-18(10-19(33)9-15)23-20(14-31(30-23)7-5-25)21-11-22(27-12-16(2)32)29-24(28-21)17-4-3-6-26-13-17/h3-4,6,8-11,13-14,16,32-33H,7,12H2,1-2H3,(H,27,28,29)/t16-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Korea University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin) incubated for 20 mins followed by [33P]ATP addition measured after 120 mins by HotSpot assay


Citation and Details
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM144314
PNG
(US8969336, 546 | US8969336, 576)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(cc2)N2CCC(CC2)N2CCN(C)CC2)nc1NC1CCOCC1
Show InChI InChI=1S/C28H42N8O2/c1-3-24-27(30-21-10-18-38-19-11-21)33-28(25(32-24)26(29)37)31-20-4-6-22(7-5-20)35-12-8-23(9-13-35)36-16-14-34(2)15-17-36/h4-7,21,23H,3,8-19H2,1-2H3,(H2,29,37)(H2,30,31,33)
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n/an/a 1.90n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A partial protein of only a kinase domain of ROS protein was purchased from Carna Biosciences Inc., Japan, and tests were conducted as in Test Exampl...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM144315
PNG
(US8969336, 547 | US8969336, 577)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(OC)c2)nc1NC1CCOCC1
Show InChI InChI=1S/C29H44N8O3/c1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36/h5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34)
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n/an/a 1.90n/an/an/an/an/an/a



Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd.

US Patent


Assay Description
A partial protein of only a kinase domain of ROS protein was purchased from Carna Biosciences Inc., Japan, and tests were conducted as in Test Exampl...


US Patent US8969336 (2015)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50062357
PNG
(AP26113 | CHEMBL3397300)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N(C)C
Show InChI InChI=1S/C26H34ClN6O2P/c1-32(2)18-12-14-33(15-13-18)19-10-11-21(23(16-19)35-3)30-26-28-17-20(27)25(31-26)29-22-8-6-7-9-24(22)36(4,5)34/h6-11,16-18H,12-15H2,1-5H3,(H2,28,29,30,31)
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n/an/a 1.90n/an/an/an/an/an/a



Korea University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50242742
PNG
(5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL...)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)
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n/an/a 2n/an/an/an/an/an/a



Korea University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin) expressed in mouse BA/F3 cells


Citation and Details
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM130921
PNG
(US8822500, [24A])
Show SMILES CC(Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2c(C)c3CN(C4CCN(C)CC4)C(=O)c3cc2[nH]1
Show InChI InChI=1S/C30H30F4N6O2/c1-14(10-18-25(33)20(31)12-21(32)26(18)34)36-22-4-7-35-29(41)24(22)28-37-23-11-17-19(15(2)27(23)38-28)13-40(30(17)42)16-5-8-39(3)9-6-16/h4,7,11-12,14,16H,5-6,8-10,13H2,1-3H3,(H,37,38)(H2,35,36,41)
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n/an/a 2.37n/an/an/an/an/an/a



Chembridge Corporation

US Patent


Assay Description
Compounds to be tested were dissolved in 100% DMSO in a range of concentrations from 10-8 to 10-3 M including negative control (DMSO), then diluted w...


US Patent US8822500 (2014)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM158154
PNG
(US9029356, 11 | US9255087, 11)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 5n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL




J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM158154
PNG
(US9029356, 11 | US9255087, 11)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 7n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL




J Med Chem 59: 3392-408 (2016)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50399540
PNG
(FORETINIB)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)
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n/an/a 10n/an/an/an/an/an/a



Korea University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin) expressed in mouse BA/F3 cells


Citation and Details
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50048844
PNG
(CHEMBL3310332)
Show SMILES Cc1cc(O)cc(c1)-c1nn(C)cc1-c1cc(nc(n1)-c1cccnc1)N1CCOCC1
Show InChI InChI=1S/C24H24N6O2/c1-16-10-18(12-19(31)11-16)23-20(15-29(2)28-23)21-13-22(30-6-8-32-9-7-30)27-24(26-21)17-4-3-5-25-14-17/h3-5,10-15,31H,6-9H2,1-2H3
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n/an/a 14n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin) assessed as remaining activity


Citation and Details
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50062373
PNG
(CHEMBL3397291)
Show SMILES Cc1cc(O)cc(c1)-c1nn(CC#N)cc1-c1cc(NCCCCO)nc(n1)-c1cccnc1
Show InChI InChI=1S/C25H25N7O2/c1-17-11-19(13-20(34)12-17)24-21(16-32(31-24)9-6-26)22-14-23(28-8-2-3-10-33)30-25(29-22)18-5-4-7-27-15-18/h4-5,7,11-16,33-34H,2-3,8-10H2,1H3,(H,28,29,30)
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n/an/a 24n/an/an/an/an/an/a



Korea University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin) incubated for 20 mins followed by [33P]ATP addition measured after 120 mins by HotSpot assay


Citation and Details
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50048850
PNG
(CHEMBL3310338)
Show SMILES Cc1cc(O)cc(c1)-c1c(cnn1C)-c1cc(NCCCCO)nc(n1)-c1cccnc1
Show InChI InChI=1S/C24H26N6O2/c1-16-10-18(12-19(32)11-16)23-20(15-27-30(23)2)21-13-22(26-8-3-4-9-31)29-24(28-21)17-6-5-7-25-14-17/h5-7,10-15,31-32H,3-4,8-9H2,1-2H3,(H,26,28,29)
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n/an/a 25n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin) assessed as remaining activity


Citation and Details
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50075730
PNG
(CHEMBL3415599)
Show SMILES COc1cc(C)nc(Nc2cc(N[C@@H]3CS(=O)(=O)CC[C@@H]3N)cnc2C(N)=O)c1
Show InChI InChI=1/C18H24N6O4S/c1-10-5-12(28-2)7-16(22-10)24-14-6-11(8-21-17(14)18(20)25)23-15-9-29(26,27)4-3-13(15)19/h5-8,13,15,23H,3-4,9,19H2,1-2H3,(H2,20,25)(H,22,24)/t13-,15+/s2
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n/an/a 43n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROS (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50062380
PNG
(CHEMBL3397286)
Show SMILES COc1cc(C)cc(c1)-c1nn(CC#N)cc1-c1cc(NCCCCO)nc(n1)-c1cccnc1
Show InChI InChI=1S/C26H27N7O2/c1-18-12-20(14-21(13-18)35-2)25-22(17-33(32-25)10-7-27)23-15-24(29-9-3-4-11-34)31-26(30-23)19-6-5-8-28-16-19/h5-6,8,12-17,34H,3-4,9-11H2,1-2H3,(H,29,30,31)
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n/an/a 56n/an/an/an/an/an/a



Korea University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin) incubated for 20 mins followed by [33P]ATP addition measured after 120 mins by HotSpot assay


Citation and Details
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50048849
PNG
(CHEMBL3310337)
Show SMILES Cc1cc(O)cc(c1)-c1c(cnn1C)-c1cc(nc(n1)-c1cccnc1)N1CC(O)C1
Show InChI InChI=1S/C23H22N6O2/c1-14-6-16(8-17(30)7-14)22-19(11-25-28(22)2)20-9-21(29-12-18(31)13-29)27-23(26-20)15-4-3-5-24-10-15/h3-11,18,30-31H,12-13H2,1-2H3
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n/an/a 57n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin) assessed as remaining activity


Citation and Details
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50048857
PNG
(CHEMBL3310324)
Show SMILES COc1cc(C)cc(c1)-c1nn(C)cc1-c1cc(nc(n1)-c1cccnc1)N1CCOCC1
Show InChI InChI=1S/C25H26N6O2/c1-17-11-19(13-20(12-17)32-3)24-21(16-30(2)29-24)22-14-23(31-7-9-33-10-8-31)28-25(27-22)18-5-4-6-26-15-18/h4-6,11-16H,7-10H2,1-3H3
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n/an/a 59n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin) assessed as remaining activity


Citation and Details
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50306682
PNG
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin) assessed as remaining activity


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50092082
PNG
(CHEMBL3582441)
Show SMILES OC(=O)CN1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1
Show InChI InChI=1/C27H28FN7O2/c28-21-4-1-3-19(15-21)22-5-2-10-34(22)25-7-6-24-30-17-23(35(24)31-25)20-8-9-29-26(16-20)33-13-11-32(12-14-33)18-27(36)37/h1,3-4,6-9,15-17,22H,2,5,10-14,18H2,(H,36,37)/t22-/s2
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n/an/a 60n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused ROS (unknown origin) expressed in mouse BA/F3 cells after 48 hrs by luciferase reporter gene assay in absence of recombinant ...


Citation and Details
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50048854
PNG
(CHEMBL3310326)
Show SMILES COc1cc(C)cc(c1)-c1nn(C)cc1-c1cc(NCCCCO)nc(n1)-c1cccnc1
Show InChI InChI=1S/C25H28N6O2/c1-17-11-19(13-20(12-17)33-3)24-21(16-31(2)30-24)22-14-23(27-9-4-5-10-32)29-25(28-22)18-7-6-8-26-15-18/h6-8,11-16,32H,4-5,9-10H2,1-3H3,(H,27,28,29)
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n/an/a 64n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin) assessed as remaining activity


Citation and Details
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50048841
PNG
(CHEMBL3310329)
Show SMILES COc1cc(C)cc(c1)-c1c(cnn1C)-c1cc(nc(n1)-c1cccnc1)N1CC(O)C1
Show InChI InChI=1S/C24H24N6O2/c1-15-7-17(9-19(8-15)32-3)23-20(12-26-29(23)2)21-10-22(30-13-18(31)14-30)28-24(27-21)16-5-4-6-25-11-16/h4-12,18,31H,13-14H2,1-3H3
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n/an/a 74n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin) assessed as remaining activity


Citation and Details
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50048845
PNG
(CHEMBL3310333)
Show SMILES Cc1cc(O)cc(c1)-c1nn(C)cc1-c1cc(nc(n1)-c1cccnc1)N1CC(O)C1
Show InChI InChI=1S/C23H22N6O2/c1-14-6-16(8-17(30)7-14)22-19(13-28(2)27-22)20-9-21(29-11-18(31)12-29)26-23(25-20)15-4-3-5-24-10-15/h3-10,13,18,30-31H,11-12H2,1-2H3
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n/an/a 87n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin) assessed as remaining activity


Citation and Details
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50062367
PNG
(CHEMBL3397288)
Show SMILES COc1cc(C)cc(c1)-c1nn(CC#N)cc1-c1cc(NCCCN2CCOCC2)nc(n1)-c1cccnc1
Show InChI InChI=1S/C29H32N8O2/c1-21-15-23(17-24(16-21)38-2)28-25(20-37(35-28)10-6-30)26-18-27(32-8-4-9-36-11-13-39-14-12-36)34-29(33-26)22-5-3-7-31-19-22/h3,5,7,15-20H,4,8-14H2,1-2H3,(H,32,33,34)
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n/an/a 88n/an/an/an/an/an/a



Korea University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin) incubated for 20 mins followed by [33P]ATP addition measured after 120 mins by HotSpot assay


Citation and Details
More data for this
Ligand-Target Pair
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