Found 55 hits of ic50 for UniProtKB: P08922 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM267453
(US10688100, Compound 36 | US10966985, Compound 36 ...)Show SMILES CC1(C)CNC(=O)c2cnn3ccc(nc23)N2CCC[C@@H]2c2cc(F)cnc2OC1 |r| Show InChI InChI=1S/C21H23FN6O2/c1-21(2)11-24-19(29)15-10-25-28-7-5-17(26-18(15)28)27-6-3-4-16(27)14-8-13(22)9-23-20(14)30-12-21/h5,7-10,16H,3-4,6,11-12H2,1-2H3,(H,24,29)/t16-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
US Patent
| Assay Description
The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ... |
US Patent US10688100 (2020)
BindingDB Entry DOI: 10.7270/Q2KH0RC3 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM446700
((6R)-9-fluoro-13-oxa-2,11,17,21,22,25- hexaazapent...)Show SMILES Fc1cnc2CCCCNC(=O)c3cnn4ccc(nc34)N3CCC[C@@H]3c2c1 |r| Show InChI InChI=1S/C20H21FN6O/c21-13-10-14-16(23-11-13)4-1-2-7-22-20(28)15-12-24-27-9-6-18(25-19(15)27)26-8-3-5-17(14)26/h6,9-12,17H,1-5,7-8H2,(H,22,28)/t17-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
US Patent
| Assay Description
The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ... |
US Patent US10688100 (2020)
BindingDB Entry DOI: 10.7270/Q2KH0RC3 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM50507492
(Loxo-195 | Selitrectinib | US10966985, Compound 33...)Show SMILES C[C@@H]1CCc2ncc(F)cc2[C@H]2CCCN2c2ccn3ncc(C(=O)N1)c3n2 Show InChI InChI=1S/C20H21FN6O/c1-12-4-5-16-14(9-13(21)10-22-16)17-3-2-7-26(17)18-6-8-27-19(25-18)15(11-23-27)20(28)24-12/h6,8-12,17H,2-5,7H2,1H3,(H,24,28)/t12-,17-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
US Patent
| Assay Description
The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ... |
US Patent US10688100 (2020)
BindingDB Entry DOI: 10.7270/Q2KH0RC3 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM647635
(T-05 | US20240025908, Example 3)Show SMILES C[C@@H](Nc1ccn2ncc(C3=NOCCN3)c2n1)c1cc(F)cc(F)c1F |r,t:10| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM647642
(T-42 | US20240025908, Example 10)Show SMILES COc1ncc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NC(=O)C(C)(C)N3)c2n1 |r,t:20| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM647641
(T-37 | US20240025908, Example 9)Show SMILES C[C@@H](Nc1ccn2ncc(C3=NOCCN3)c2n1)c1cc(F)ccc1OC(F)F |r,t:10| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM647640
(T-36 | US20240025908, Example 8)Show SMILES C[C@@H](Nc1ccn2ncc(C3=NC(=O)C(C)(C)N3)c2n1)c1cc(F)cc(F)c1F |r,t:10| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM647639
(T-17 | US20240025908, Example 7)Show SMILES COc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NC(=O)C(C)(C)N3)c2n1 |r,t:20| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM647638
(T-12 | US20240025908, Example 6)Show SMILES C[C@@H](Nc1ccn2ncc(C3=NC(=O)C(C)(C)N3)c2n1)c1cc(F)ccc1OC(F)F |r,t:10| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM267414
(US10688100, Compound 7 | US10966985, Compound 7 | ...)Show SMILES O[C@@H]1CNC(=O)c2cnn3ccc(nc23)N2CCC[C@@H]2c2cc(F)cnc2OC1 |r| Show InChI InChI=1S/C19H19FN6O3/c20-11-6-13-15-2-1-4-25(15)16-3-5-26-17(24-16)14(9-23-26)18(28)21-8-12(27)10-29-19(13)22-7-11/h3,5-7,9,12,15,27H,1-2,4,8,10H2,(H,21,28)/t12-,15-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
US Patent
| Assay Description
The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ... |
US Patent US10688100 (2020)
BindingDB Entry DOI: 10.7270/Q2KH0RC3 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM267434
(US10688100, Compound 19 | US10966985, Compound 19 ...)Show SMILES Fc1cnc2OCC(F)(F)CNC(=O)c3cnn4ccc(nc34)N3CCC[C@@H]3c2c1 |r| Show InChI InChI=1S/C19H17F3N6O2/c20-11-6-12-14-2-1-4-27(14)15-3-5-28-16(26-15)13(8-25-28)17(29)24-9-19(21,22)10-30-18(12)23-7-11/h3,5-8,14H,1-2,4,9-10H2,(H,24,29)/t14-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
US Patent
| Assay Description
The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ... |
US Patent US10688100 (2020)
BindingDB Entry DOI: 10.7270/Q2KH0RC3 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM267416
(US10688100, Compound 9 | US10966985, Compound 9 | ...)Show SMILES Fc1cnc2OCCNC(=O)c3cnn4ccc(nc34)N3CCC[C@@H]3c2c1 |r| Show InChI InChI=1S/C18H17FN6O2/c19-11-8-12-14-2-1-5-24(14)15-3-6-25-16(23-15)13(10-22-25)17(26)20-4-7-27-18(12)21-9-11/h3,6,8-10,14H,1-2,4-5,7H2,(H,20,26)/t14-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
US Patent
| Assay Description
The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ... |
US Patent US10688100 (2020)
BindingDB Entry DOI: 10.7270/Q2KH0RC3 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM647634
(T-02 | US20240025908, Example 2)Show SMILES C[C@@H](Nc1ccn2ncc(NC3=NC(C)(C)CO3)c2n1)c1cc(F)cc(F)c1F |r,t:11| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.75 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM647658
(US20240025908, Example 26)Show SMILES C[C@@H](Nc1ccn2ncc(C3=NOCCN3)c2n1)c1cc(F)ccc1OC(F)(F)F |r,t:10| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.75 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM647657
(US20240025908, Example 25)Show SMILES C[C@@H](Nc1ccn2ncc(C3=NC(=O)C(C)(C)N3)c2n1)c1cc(F)cnc1OC(F)(F)F |r,t:10| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.75 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM647655
(US20240025908, Example 23)Show SMILES C[C@@H](Nc1ccn2ncc(C3=NC(=O)C(C)(C)N3)c2n1)c1cc(F)cnc1OCC(F)(F)F |r,t:10| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.75 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM647654
(US20240025908, Example 22)Show SMILES CCOc1ncc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NOCCN3)c2n1 |r,t:21| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.75 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM647653
(US20240025908, Example 21)Show SMILES C[C@@H](Nc1ccn2ncc(C3=NC(=O)C(C)(C)N3)c2n1)c1cc(F)ccc1OC(F)(F)F |r,t:10| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.75 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM647652
(US20240025908, Example 20)Show SMILES COc1c(F)cc(F)cc1[C@@H](C)Nc1ccn2ncc(C3=NC(=O)C(C)(C)N3)c2n1 |r,t:21| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.75 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM647636
(T-07 | US20240025908, Example 4)Show SMILES C[C@@H](Nc1ccn2ncc(C3=NOCC(C)(C)N3)c2n1)c1cc(F)cc(F)c1F |r,t:10| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.75 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM647633
(T-01 | US20240025908, Example 1)Show SMILES COc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(NC3=NC(C)(C)CO3)c2n1 |r,t:21| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.75 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM267436
(US10688100, Compound 20 | US10966985, Compound 20 ...)Show SMILES Fc1ccc2OCCCNC(=O)c3cnn4ccc(nc34)N3CCC[C@@H]3c2c1 |r| Show InChI InChI=1S/C20H20FN5O2/c21-13-4-5-17-14(11-13)16-3-1-8-25(16)18-6-9-26-19(24-18)15(12-23-26)20(27)22-7-2-10-28-17/h4-6,9,11-12,16H,1-3,7-8,10H2,(H,22,27)/t16-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
US Patent
| Assay Description
The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ... |
US Patent US10688100 (2020)
BindingDB Entry DOI: 10.7270/Q2KH0RC3 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM267453
(US10688100, Compound 36 | US10966985, Compound 36 ...)Show SMILES CC1(C)CNC(=O)c2cnn3ccc(nc23)N2CCC[C@@H]2c2cc(F)cnc2OC1 |r| Show InChI InChI=1S/C21H23FN6O2/c1-21(2)11-24-19(29)15-10-25-28-7-5-17(26-18(15)28)27-6-3-4-16(27)14-8-13(22)9-23-20(14)30-12-21/h5,7-10,16H,3-4,6,11-12H2,1-2H3,(H,24,29)/t16-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
US Patent
| Assay Description
The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ... |
US Patent US10966985 (2021)
BindingDB Entry DOI: 10.7270/Q2639ST6 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM267424
(US10688100, Compound 14 | US10966985, Compound 14 ...)Show SMILES Fc1cnc2OCCOC(=O)c3cnn4ccc(nc34)N3CCC[C@@H]3c2c1 |r| Show InChI InChI=1S/C18H16FN5O3/c19-11-8-12-14-2-1-4-23(14)15-3-5-24-16(22-15)13(10-21-24)18(25)27-7-6-26-17(12)20-9-11/h3,5,8-10,14H,1-2,4,6-7H2/t14-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
US Patent
| Assay Description
The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ... |
US Patent US10688100 (2020)
BindingDB Entry DOI: 10.7270/Q2KH0RC3 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM267407
(US10966985, Compound 3 | US9718822, 3 | US9750744,...)Show SMILES Fc1cnc2OCCCNC(=O)c3cnn4ccc(nc34)N3CCC[C@@H]3c2c1 |r| Show InChI InChI=1S/C19H19FN6O2/c20-12-9-13-15-3-1-6-25(15)16-4-7-26-17(24-16)14(11-23-26)18(27)21-5-2-8-28-19(13)22-10-12/h4,7,9-11,15H,1-3,5-6,8H2,(H,21,27)/t15-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
US Patent
| Assay Description
The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ... |
US Patent US10966985 (2021)
BindingDB Entry DOI: 10.7270/Q2639ST6 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM266501
(US10688100, Compound 2 | US10966985, Compound 2 | ...)Show SMILES O=C1NCCCOc2cccc(n2)[C@H]2CCCN2c2ccn3ncc1c3n2 |r| Show InChI InChI=1S/C19H20N6O2/c26-19-13-12-21-25-10-7-16(23-18(13)25)24-9-2-5-15(24)14-4-1-6-17(22-14)27-11-3-8-20-19/h1,4,6-7,10,12,15H,2-3,5,8-9,11H2,(H,20,26)/t15-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 11.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
US Patent
| Assay Description
The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ... |
US Patent US10688100 (2020)
BindingDB Entry DOI: 10.7270/Q2KH0RC3 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM139540
(US10189849, staurosporine | US10307427, Staurospor...)Show SMILES CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C27H24N4O3/c1-28-16-11-19-30-17-9-5-4-8-14(17)21-22-15(12-29-26(22)32)20-13-7-3-6-10-18(13)31(23(20)24(21)30)27(34-19)25(16)33-2/h3-10,16,19,25,27-28H,11-12H2,1-2H3,(H,29,32)/t16-,19?,25-,27?/m1/s1 | PDB
UniProtKB/SwissProt
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Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM446757
((6R,15S)-9-fluoro-15-methyl- 2,11,16,20,21,24- hex...)Show SMILES C[C@H]1CCc2ncc(F)cc2[C@H]2CCCN2c2ccn3ncc(C(=O)N1)c3n2 |r| Show InChI InChI=1S/C20H21FN6O/c1-12-4-5-16-14(9-13(21)10-22-16)17-3-2-7-26(17)18-6-8-27-19(25-18)15(11-23-27)20(28)24-12/h6,8-12,17H,2-5,7H2,1H3,(H,24,28)/t12-,17+/m0/s1 | PDB
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| US Patent
| n/a | n/a | 14.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
US Patent
| Assay Description
The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ... |
US Patent US10688100 (2020)
BindingDB Entry DOI: 10.7270/Q2KH0RC3 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM267434
(US10688100, Compound 19 | US10966985, Compound 19 ...)Show SMILES Fc1cnc2OCC(F)(F)CNC(=O)c3cnn4ccc(nc34)N3CCC[C@@H]3c2c1 |r| Show InChI InChI=1S/C19H17F3N6O2/c20-11-6-12-14-2-1-4-27(14)15-3-5-28-16(26-15)13(8-25-28)17(29)24-9-19(21,22)10-30-18(12)23-7-11/h3,5-8,14H,1-2,4,9-10H2,(H,24,29)/t14-/m1/s1 | PDB
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| US Patent
| n/a | n/a | 14.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
US Patent
| Assay Description
The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ... |
US Patent US10966985 (2021)
BindingDB Entry DOI: 10.7270/Q2639ST6 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM267469
(US10688100, Compound 45 | US10966985, Compound 45 ...)Show SMILES O[C@H]1CNC(=O)c2cnn3ccc(nc23)N2CC(F)(F)CC2c2cc(F)ccc2OC1 |r| Show InChI InChI=1S/C20H18F3N5O3/c21-11-1-2-16-13(5-11)15-6-20(22,23)10-27(15)17-3-4-28-18(26-17)14(8-25-28)19(30)24-7-12(29)9-31-16/h1-5,8,12,15,29H,6-7,9-10H2,(H,24,30)/t12-,15?/m0/s1 | PDB
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Array BioPharma Inc.
US Patent
| Assay Description
The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ... |
US Patent US10688100 (2020)
BindingDB Entry DOI: 10.7270/Q2KH0RC3 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM50507492
(Loxo-195 | Selitrectinib | US10966985, Compound 33...)Show SMILES C[C@@H]1CCc2ncc(F)cc2[C@H]2CCCN2c2ccn3ncc(C(=O)N1)c3n2 Show InChI InChI=1S/C20H21FN6O/c1-12-4-5-16-14(9-13(21)10-22-16)17-3-2-7-26(17)18-6-8-27-19(25-18)15(11-23-27)20(28)24-12/h6,8-12,17H,2-5,7H2,1H3,(H,24,28)/t12-,17-/m1/s1 | PDB
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| US Patent
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Array BioPharma Inc.
US Patent
| Assay Description
The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ... |
US Patent US10966985 (2021)
BindingDB Entry DOI: 10.7270/Q2639ST6 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM267436
(US10688100, Compound 20 | US10966985, Compound 20 ...)Show SMILES Fc1ccc2OCCCNC(=O)c3cnn4ccc(nc34)N3CCC[C@@H]3c2c1 |r| Show InChI InChI=1S/C20H20FN5O2/c21-13-4-5-17-14(11-13)16-3-1-8-25(16)18-6-9-26-19(24-18)15(12-23-26)20(27)22-7-2-10-28-17/h4-6,9,11-12,16H,1-3,7-8,10H2,(H,22,27)/t16-/m1/s1 | PDB
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Array BioPharma Inc.
US Patent
| Assay Description
The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ... |
US Patent US10966985 (2021)
BindingDB Entry DOI: 10.7270/Q2639ST6 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM647637
(US20240025908, Example 5)Show SMILES C[C@@H](Nc1ccn2ncc(C3=NN=CC(C)(C)N3)c2n1)c1cc(F)cc(F)c1F |r,c:12,t:10| | PDB
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Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM647644
(US20240025908, Example 12)Show SMILES COc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(NC3=NC(C)(C)CN3)c2n1 |r,t:21| | PDB
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Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM647651
(US20240025908, Example 19)Show SMILES C[C@@H](Nc1ccn2ncc(C3=NOCCN3)c2n1)c1cc(F)cc(c1F)C(F)(F)F |r,t:10| | PDB
UniProtKB/SwissProt
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Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM647650
(US20240025908, Example 18)Show SMILES COc1c(F)cc(F)cc1[C@@H](C)Nc1ccn2ncc(NC3=NC(C)(C)CO3)c2n1 |r,t:22| | PDB
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Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM647649
(US20240025908, Example 17)Show SMILES C[C@@H](Nc1ccn2ncc(NC3=NCC(C)(C)N3)c2n1)c1cc(F)cc(F)c1F |r,t:11| | PDB
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More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM647648
(US20240025908, Example 16)Show SMILES C[C@@H](Nc1ccn2ncc(C3=NOCC(C)(C)N3)c2n1)c1cc(F)ccc1OC(F)F |r,t:10| | PDB
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More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM647647
(US20240025908, Example 15)Show SMILES C[C@@H](Nc1ccn2ncc(OC3=NCC(C)(C)N3)c2n1)c1cc(F)cc(F)c1F |r,t:11| | PDB
UniProtKB/SwissProt
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| | n/a | n/a | 27.5 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM647646
(US20240025908, Example 14)Show SMILES COc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(OC3=NC(C)(C)CN3)c2n1 |r,t:21| | PDB
UniProtKB/SwissProt
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| | n/a | n/a | 27.5 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM647643
(T-11 | US20240025908, Example 11)Show SMILES CCCOC(=O)\N=C(/N)c1cnn2ccc(N[C@H](C)c3cc(F)cc(F)c3F)nc12 |r| | PDB
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Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM267414
(US10688100, Compound 7 | US10966985, Compound 7 | ...)Show SMILES O[C@@H]1CNC(=O)c2cnn3ccc(nc23)N2CCC[C@@H]2c2cc(F)cnc2OC1 |r| Show InChI InChI=1S/C19H19FN6O3/c20-11-6-13-15-2-1-4-25(15)16-3-5-26-17(24-16)14(9-23-26)18(28)21-8-12(27)10-29-19(13)22-7-11/h3,5-7,9,12,15,27H,1-2,4,8,10H2,(H,21,28)/t12-,15-/m1/s1 | PDB
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| US Patent
| n/a | n/a | 29.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
US Patent
| Assay Description
The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ... |
US Patent US10966985 (2021)
BindingDB Entry DOI: 10.7270/Q2639ST6 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM267416
(US10688100, Compound 9 | US10966985, Compound 9 | ...)Show SMILES Fc1cnc2OCCNC(=O)c3cnn4ccc(nc34)N3CCC[C@@H]3c2c1 |r| Show InChI InChI=1S/C18H17FN6O2/c19-11-8-12-14-2-1-5-24(14)15-3-6-25-16(23-15)13(10-22-25)17(26)20-4-7-27-18(12)21-9-11/h3,6,8-10,14H,1-2,4-5,7H2,(H,20,26)/t14-/m1/s1 | PDB
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| US Patent
| n/a | n/a | 98.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
US Patent
| Assay Description
The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ... |
US Patent US10966985 (2021)
BindingDB Entry DOI: 10.7270/Q2639ST6 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM267424
(US10688100, Compound 14 | US10966985, Compound 14 ...)Show SMILES Fc1cnc2OCCOC(=O)c3cnn4ccc(nc34)N3CCC[C@@H]3c2c1 |r| Show InChI InChI=1S/C18H16FN5O3/c19-11-8-12-14-2-1-4-23(14)15-3-5-24-16(22-15)13(10-21-24)18(25)27-7-6-26-17(12)20-9-11/h3,5,8-10,14H,1-2,4,6-7H2/t14-/m1/s1 | PDB
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| n/a | n/a | 107 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
US Patent
| Assay Description
The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ... |
US Patent US10966985 (2021)
BindingDB Entry DOI: 10.7270/Q2639ST6 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM267469
(US10688100, Compound 45 | US10966985, Compound 45 ...)Show SMILES O[C@H]1CNC(=O)c2cnn3ccc(nc23)N2CC(F)(F)CC2c2cc(F)ccc2OC1 |r| Show InChI InChI=1S/C20H18F3N5O3/c21-11-1-2-16-13(5-11)15-6-20(22,23)10-27(15)17-3-4-28-18(26-17)14(8-25-28)19(30)24-7-12(29)9-31-16/h1-5,8,12,15,29H,6-7,9-10H2,(H,24,30)/t12-,15?/m0/s1 | PDB
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| n/a | n/a | 114 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
US Patent
| Assay Description
The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ... |
US Patent US10966985 (2021)
BindingDB Entry DOI: 10.7270/Q2639ST6 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM446757
((6R,15S)-9-fluoro-15-methyl- 2,11,16,20,21,24- hex...)Show SMILES C[C@H]1CCc2ncc(F)cc2[C@H]2CCCN2c2ccn3ncc(C(=O)N1)c3n2 |r| Show InChI InChI=1S/C20H21FN6O/c1-12-4-5-16-14(9-13(21)10-22-16)17-3-2-7-26(17)18-6-8-27-19(25-18)15(11-23-27)20(28)24-12/h6,8-12,17H,2-5,7H2,1H3,(H,24,28)/t12-,17+/m0/s1 | PDB
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| n/a | n/a | 157 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
US Patent
| Assay Description
The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ... |
US Patent US10966985 (2021)
BindingDB Entry DOI: 10.7270/Q2639ST6 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM267452
(US10688100, Compound 35 | US10966985, Compound 35 ...)Show SMILES C[C@H]1CNC(=O)c2cnn3ccc(nc23)N2CCC[C@@H]2c2cc(F)cn(C1)c2=O |r| Show InChI InChI=1S/C20H21FN6O2/c1-12-8-22-19(28)15-9-23-27-6-4-17(24-18(15)27)26-5-2-3-16(26)14-7-13(21)11-25(10-12)20(14)29/h4,6-7,9,11-12,16H,2-3,5,8,10H2,1H3,(H,22,28)/t12-,16+/m0/s1 | PDB
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| US Patent
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
US Patent
| Assay Description
The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ... |
US Patent US10688100 (2020)
BindingDB Entry DOI: 10.7270/Q2KH0RC3 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM647660
(US20240025908, Example 28)Show SMILES C[C@@H](Nc1ccn2ncc(C3=NOCCN3)c2n1)c1cc(F)ccc1C(F)F |r,t:10| | PDB
UniProtKB/SwissProt
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| | n/a | n/a | 275 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM647645
(US20240025908, Example 13)Show SMILES C[C@@H](Nc1ccn2ncc(C(=O)NOCCO)c2n1)c1cc(F)cc(F)c1F |r| | PDB
UniProtKB/SwissProt
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UniChem
| | n/a | n/a | 275 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS [G2032R]
(Homo sapiens (Human)) | BDBM647659
(US20240025908, Example 27)Show SMILES C[C@@H](Nc1ccn2ncc(C3=NOCCN3)c2n1)c1cc(F)ccc1C(F)(F)F |r,t:10| | PDB
UniProtKB/SwissProt
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| | n/a | n/a | 275 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
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