Found 222 hits with Last Name = 'grohar' and Initial = 'pj' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3451
(3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[4-(diet...)Show SMILES CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-13.55,.59,;-13.15,2.08,;-11.66,2.48,;-11.26,3.96,;-9.78,4.36,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;5.49,-4.29,;2.83,-4.29,;4.16,-5.06,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)| Show InChI InChI=1S/C26H35Cl2N7O/c1-6-35(7-2)14-9-8-13-29-24-30-16-17-15-18(21-19(27)11-10-12-20(21)28)23(31-22(17)32-24)33-25(36)34-26(3,4)5/h10-12,15-16H,6-9,13-14H2,1-5H3,(H3,29,30,31,32,33,34,36) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3453
(3-[6-(2,6-dichlorophenyl)-2-{[4-(diethylamino)buty...)Show SMILES CCN(CC)CCCCNc1ncc2cc(c(NC(=O)Nc3ccccc3)nc2n1)-c1c(Cl)cccc1Cl |(-13.55,.59,;-13.15,2.08,;-11.66,2.48,;-11.26,3.96,;-9.78,4.36,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;2.83,-4.29,;2.83,-5.83,;4.16,-6.6,;5.49,-5.83,;5.49,-4.29,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)| Show InChI InChI=1S/C28H31Cl2N7O/c1-3-37(4-2)16-9-8-15-31-27-32-18-19-17-21(24-22(29)13-10-14-23(24)30)26(34-25(19)35-27)36-28(38)33-20-11-6-5-7-12-20/h5-7,10-14,17-18H,3-4,8-9,15-16H2,1-2H3,(H3,31,32,33,34,35,36,38) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3467
(3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[4-(4-me...)Show SMILES CN1CCN(CCCCNc2ncc3cc(c(NC(=O)NC(C)(C)C)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-15.76,4.51,;-14.27,4.11,;-12.91,4.83,;-11.61,4.02,;-11.66,2.48,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;5.49,-4.29,;2.83,-4.29,;4.16,-5.06,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,;-13.02,1.76,;-14.33,2.57,)| Show InChI InChI=1S/C27H36Cl2N8O/c1-27(2,3)35-26(38)34-24-19(22-20(28)8-7-9-21(22)29)16-18-17-31-25(33-23(18)32-24)30-10-5-6-11-37-14-12-36(4)13-15-37/h7-9,16-17H,5-6,10-15H2,1-4H3,(H3,30,31,32,33,34,35,38) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3452
(1-cyclohexyl-3-[6-(2,6-dichlorophenyl)-2-{[4-(diet...)Show SMILES CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC3CCCCC3)nc2n1)-c1c(Cl)cccc1Cl |(-13.55,.59,;-13.15,2.08,;-11.66,2.48,;-11.26,3.96,;-9.78,4.36,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;2.83,-4.29,;2.83,-5.83,;4.16,-6.6,;5.49,-5.83,;5.49,-4.29,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)| Show InChI InChI=1S/C28H37Cl2N7O/c1-3-37(4-2)16-9-8-15-31-27-32-18-19-17-21(24-22(29)13-10-14-23(24)30)26(34-25(19)35-27)36-28(38)33-20-11-6-5-7-12-20/h10,13-14,17-18,20H,3-9,11-12,15-16H2,1-2H3,(H3,31,32,33,34,35,36,38) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3479
(3-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin...)Show SMILES CN1CCN(CCCNc2ncc3cc(c(NC(=O)Nc4ccccc4)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(10.23,-16.39,;11.56,-15.62,;11.63,-14.08,;13,-13.38,;14.29,-14.21,;15.78,-13.81,;16.87,-14.9,;18.36,-14.5,;19.69,-15.27,;21.03,-14.5,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;26.36,-14.5,;27.69,-15.27,;27.69,-16.81,;26.36,-17.58,;29.03,-17.58,;29.03,-19.12,;27.67,-19.85,;27.62,-21.39,;28.93,-22.2,;30.29,-21.47,;30.34,-19.93,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;14.22,-15.75,;12.86,-16.45,)| Show InChI InChI=1S/C28H30Cl2N8O/c1-37-13-15-38(16-14-37)12-6-11-31-27-32-18-19-17-21(24-22(29)9-5-10-23(24)30)26(34-25(19)35-27)36-28(39)33-20-7-3-2-4-8-20/h2-5,7-10,17-18H,6,11-16H2,1H3,(H3,31,32,33,34,35,36,39) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3463
(3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[3-(2-me...)Show SMILES CC1CCCCN1CCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-11.91,3.7,;-11.91,2.16,;-13.24,1.39,;-13.24,-.15,;-11.91,-.92,;-10.57,-.15,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.34,-1.61,;4.05,-2.15,;5.47,-1.56,;6.69,-2.5,;6.96,-1.16,;4.98,-.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)| Show InChI InChI=1S/C27H35Cl2N7O/c1-17-9-5-6-13-36(17)14-8-12-30-25-31-16-18-15-19(22-20(28)10-7-11-21(22)29)24(32-23(18)33-25)34-26(37)35-27(2,3)4/h7,10-11,15-17H,5-6,8-9,12-14H2,1-4H3,(H3,30,31,32,33,34,35,37) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3485
(3-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin...)Show SMILES COc1ccccc1NC(=O)Nc1nc2nc(NCCCN3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl |(33.16,-19.56,;31.67,-19.16,;30.34,-19.93,;30.29,-21.47,;28.93,-22.2,;27.62,-21.39,;27.67,-19.85,;29.03,-19.12,;29.03,-17.58,;27.69,-16.81,;26.36,-17.58,;27.69,-15.27,;26.36,-14.5,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;21.03,-14.5,;19.69,-15.27,;18.36,-14.5,;16.87,-14.9,;15.78,-13.81,;14.29,-14.21,;13,-13.38,;11.63,-14.08,;11.56,-15.62,;10.23,-16.39,;12.86,-16.45,;14.22,-15.75,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,)| Show InChI InChI=1S/C29H32Cl2N8O2/c1-38-13-15-39(16-14-38)12-6-11-32-28-33-18-19-17-20(25-21(30)7-5-8-22(25)31)27(35-26(19)36-28)37-29(40)34-23-9-3-4-10-24(23)41-2/h3-5,7-10,17-18H,6,11-16H2,1-2H3,(H3,32,33,34,35,36,37,40) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3450
(1-[6-(2,6-dichlorophenyl)-2-{[4-(diethylamino)buty...)Show SMILES CCNC(=O)Nc1nc2nc(NCCCCN(CC)CC)ncc2cc1-c1c(Cl)cccc1Cl |(5.49,-4.29,;4.16,-3.52,;4.16,-1.98,;2.83,-1.21,;1.49,-1.98,;2.83,.33,;1.49,1.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;-3.84,1.1,;-5.18,.33,;-6.51,1.1,;-8,.7,;-9.09,1.79,;-10.57,1.39,;-11.66,2.48,;-13.15,2.08,;-13.55,.59,;-11.26,3.96,;-9.78,4.36,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)| Show InChI InChI=1S/C24H31Cl2N7O/c1-4-27-24(34)32-22-17(20-18(25)10-9-11-19(20)26)14-16-15-29-23(31-21(16)30-22)28-12-7-8-13-33(5-2)6-3/h9-11,14-15H,4-8,12-13H2,1-3H3,(H3,27,28,29,30,31,32,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3471
(1-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin...)Show SMILES CC(C)NC(=O)Nc1nc2nc(NCCCN3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl |(5.49,-4.29,;4.16,-3.52,;2.83,-4.29,;4.16,-1.98,;2.83,-1.21,;1.49,-1.98,;2.83,.33,;1.49,1.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;-3.84,1.1,;-5.18,.33,;-6.51,1.1,;-8,.7,;-9.09,1.79,;-10.57,1.39,;-11.87,2.22,;-13.24,1.51,;-13.31,-.03,;-14.64,-.8,;-12.01,-.86,;-10.64,-.15,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)| Show InChI InChI=1S/C25H32Cl2N8O/c1-16(2)30-25(36)33-23-18(21-19(26)6-4-7-20(21)27)14-17-15-29-24(32-22(17)31-23)28-8-5-9-35-12-10-34(3)11-13-35/h4,6-7,14-16H,5,8-13H2,1-3H3,(H3,28,29,30,31,32,33,36) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3477
(1-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin...)Show SMILES CN(C)CCNC(=O)Nc1nc2nc(NCCCN3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl |(29.03,-22.2,;30.36,-21.43,;31.7,-22.2,;30.36,-19.89,;29.03,-19.12,;29.03,-17.58,;27.69,-16.81,;26.36,-17.58,;27.69,-15.27,;26.36,-14.5,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;21.03,-14.5,;19.69,-15.27,;18.36,-14.5,;16.87,-14.9,;15.78,-13.81,;14.29,-14.21,;13,-13.38,;11.63,-14.08,;11.56,-15.62,;10.23,-16.39,;12.86,-16.45,;14.22,-15.75,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,)| Show InChI InChI=1S/C26H35Cl2N9O/c1-35(2)11-9-30-26(38)34-24-19(22-20(27)6-4-7-21(22)28)16-18-17-31-25(33-23(18)32-24)29-8-5-10-37-14-12-36(3)13-15-37/h4,6-7,16-17H,5,8-15H2,1-3H3,(H3,29,30,31,32,33,34,38) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3497
(6-arylpyrido[2,3-d]pyrimidine deriv. 79 | N-[6-(2,...)Show SMILES CN1CCN(CCCNc2ncc3cc(c(NS(=O)(=O)c4ccccc4)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(10.36,-17.58,;11.69,-16.81,;11.69,-15.27,;13.02,-14.5,;14.36,-15.27,;15.69,-14.5,;17.02,-15.27,;18.36,-14.5,;19.69,-15.27,;21.03,-14.5,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;26.36,-14.5,;27.69,-15.27,;27.69,-16.81,;26.36,-17.58,;29.03,-16.04,;28.46,-18.14,;28.46,-19.68,;29.8,-20.45,;31.13,-19.68,;31.13,-18.14,;29.8,-17.37,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;14.36,-16.81,;13.02,-17.58,)| Show InChI InChI=1S/C27H29Cl2N7O2S/c1-35-13-15-36(16-14-35)12-6-11-30-27-31-18-19-17-21(24-22(28)9-5-10-23(24)29)26(32-25(19)33-27)34-39(37,38)20-7-3-2-4-8-20/h2-5,7-10,17-18H,6,11-16H2,1H3,(H2,30,31,32,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3493
(3-[6-(2,6-dichlorophenyl)-2-{[4-(diethylamino)buty...)Show SMILES CCN(CC)CCCCNc1ncc2cc(c(NC(=S)NCCCN3CCOCC3)nc2n1)-c1c(Cl)cccc1Cl |(11.69,-12.19,;13.02,-12.96,;13.02,-14.5,;11.69,-15.27,;11.69,-16.81,;14.36,-15.27,;15.69,-14.5,;17.02,-15.27,;18.36,-14.5,;19.69,-15.27,;21.03,-14.5,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;26.36,-14.5,;27.69,-15.27,;27.69,-16.81,;26.36,-17.58,;29.03,-17.58,;29.03,-19.12,;30.36,-19.89,;30.36,-21.43,;31.7,-22.2,;31.64,-23.74,;32.95,-24.55,;34.31,-23.83,;34.36,-22.29,;33.05,-21.48,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,)| Show InChI InChI=1S/C29H40Cl2N8OS/c1-3-38(4-2)13-6-5-11-32-28-34-20-21-19-22(25-23(30)9-7-10-24(25)31)27(35-26(21)36-28)37-29(41)33-12-8-14-39-15-17-40-18-16-39/h7,9-10,19-20H,3-6,8,11-18H2,1-2H3,(H3,32,33,34,35,36,37,41) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3501
(3-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin...)Show SMILES CN1CCN(CCCNc2ncc3cc(c(NC(=S)Nc4ccccc4)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(10.36,-17.58,;11.69,-16.81,;11.69,-15.27,;13.02,-14.5,;14.36,-15.27,;15.69,-14.5,;17.02,-15.27,;18.36,-14.5,;19.69,-15.27,;21.03,-14.5,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;26.36,-14.5,;27.69,-15.27,;27.69,-16.81,;26.36,-17.58,;29.03,-17.58,;29.03,-19.12,;27.64,-19.79,;27.53,-21.32,;28.8,-22.19,;30.19,-21.52,;30.3,-19.98,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;14.36,-16.81,;13.02,-17.58,)| Show InChI InChI=1S/C28H30Cl2N8S/c1-37-13-15-38(16-14-37)12-6-11-31-27-32-18-19-17-21(24-22(29)9-5-10-23(24)30)26(34-25(19)35-27)36-28(39)33-20-7-3-2-4-8-20/h2-5,7-10,17-18H,6,11-16H2,1H3,(H3,31,32,33,34,35,36,39) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3470
(1-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin...)Show SMILES CN1CCN(CCCNc2ncc3cc(c(NC(=O)NCC=C)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-14.64,-.8,;-13.31,-.03,;-13.24,1.51,;-11.87,2.22,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;5.49,-4.29,;5.49,-5.83,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,;-10.64,-.15,;-12.01,-.86,)| Show InChI InChI=1S/C25H30Cl2N8O/c1-3-8-29-25(36)33-23-18(21-19(26)6-4-7-20(21)27)15-17-16-30-24(32-22(17)31-23)28-9-5-10-35-13-11-34(2)12-14-35/h3-4,6-7,15-16H,1,5,8-14H2,2H3,(H3,28,29,30,31,32,33,36) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3469
(1-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin...)Show SMILES CCNC(=O)Nc1nc2nc(NCCCN3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl |(5.49,-4.29,;4.16,-3.52,;4.16,-1.98,;2.83,-1.21,;1.49,-1.98,;2.83,.33,;1.49,1.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;-3.84,1.1,;-5.18,.33,;-6.51,1.1,;-8,.7,;-9.09,1.79,;-10.57,1.39,;-11.87,2.22,;-13.24,1.51,;-13.31,-.03,;-14.64,-.8,;-12.01,-.86,;-10.64,-.15,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)| Show InChI InChI=1S/C24H30Cl2N8O/c1-3-27-24(35)32-22-17(20-18(25)6-4-7-19(20)26)14-16-15-29-23(31-21(16)30-22)28-8-5-9-34-12-10-33(2)11-13-34/h4,6-7,14-15H,3,5,8-13H2,1-2H3,(H3,27,28,29,30,31,32,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3486
(3-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin...)Show SMILES COc1cccc(NC(=O)Nc2nc3nc(NCCCN4CCN(C)CC4)ncc3cc2-c2c(Cl)cccc2Cl)c1 |(32.95,-21.55,;31.6,-22.28,;30.29,-21.47,;28.93,-22.2,;27.62,-21.39,;27.67,-19.85,;29.03,-19.12,;29.03,-17.58,;27.69,-16.81,;26.36,-17.58,;27.69,-15.27,;26.36,-14.5,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;21.03,-14.5,;19.69,-15.27,;18.36,-14.5,;16.87,-14.9,;15.78,-13.81,;14.29,-14.21,;13,-13.38,;11.63,-14.08,;11.56,-15.62,;10.23,-16.39,;12.86,-16.45,;14.22,-15.75,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;30.34,-19.93,)| Show InChI InChI=1S/C29H32Cl2N8O2/c1-38-12-14-39(15-13-38)11-5-10-32-28-33-18-19-16-22(25-23(30)8-4-9-24(25)31)27(35-26(19)36-28)37-29(40)34-20-6-3-7-21(17-20)41-2/h3-4,6-9,16-18H,5,10-15H2,1-2H3,(H3,32,33,34,35,36,37,40) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM3474
(1-cyclohexyl-3-[6-(2,6-dichlorophenyl)-2-{[3-(4-me...)Show SMILES CN1CCN(CCCNc2ncc3cc(c(NC(=O)NC4CCCCC4)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-14.64,-.8,;-13.31,-.03,;-13.24,1.51,;-11.87,2.22,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;2.8,-4.24,;2.74,-5.78,;4.04,-6.6,;5.4,-5.88,;5.46,-4.34,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,;-10.64,-.15,;-12.01,-.86,)| Show InChI InChI=1S/C28H36Cl2N8O/c1-37-13-15-38(16-14-37)12-6-11-31-27-32-18-19-17-21(24-22(29)9-5-10-23(24)30)26(34-25(19)35-27)36-28(39)33-20-7-3-2-4-8-20/h5,9-10,17-18,20H,2-4,6-8,11-16H2,1H3,(H3,31,32,33,34,35,36,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3473
(1-benzyl-3-[6-(2,6-dichlorophenyl)-2-{[3-(4-methyl...)Show SMILES CN1CCN(CCCNc2ncc3cc(c(NC(=O)NCc4ccccc4)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-14.64,-.8,;-13.31,-.03,;-13.24,1.51,;-11.87,2.22,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;2.83,-4.29,;1.49,-3.52,;.16,-4.29,;.16,-5.83,;1.49,-6.6,;2.83,-5.83,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,;-10.64,-.15,;-12.01,-.86,)| Show InChI InChI=1S/C29H32Cl2N8O/c1-38-13-15-39(16-14-38)12-6-11-32-28-33-19-21-17-22(25-23(30)9-5-10-24(25)31)27(35-26(21)36-28)37-29(40)34-18-20-7-3-2-4-8-20/h2-5,7-10,17,19H,6,11-16,18H2,1H3,(H3,32,33,34,35,36,37,40) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3474
(1-cyclohexyl-3-[6-(2,6-dichlorophenyl)-2-{[3-(4-me...)Show SMILES CN1CCN(CCCNc2ncc3cc(c(NC(=O)NC4CCCCC4)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-14.64,-.8,;-13.31,-.03,;-13.24,1.51,;-11.87,2.22,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;2.8,-4.24,;2.74,-5.78,;4.04,-6.6,;5.4,-5.88,;5.46,-4.34,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,;-10.64,-.15,;-12.01,-.86,)| Show InChI InChI=1S/C28H36Cl2N8O/c1-37-13-15-38(16-14-37)12-6-11-31-27-32-18-19-17-21(24-22(29)9-5-10-23(24)30)26(34-25(19)35-27)36-28(39)33-20-7-3-2-4-8-20/h5,9-10,17-18,20H,2-4,6-8,11-16H2,1H3,(H3,31,32,33,34,35,36,39) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3465
(3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[3-(4-me...)Show SMILES CN1CCN(CCCNc2ncc3cc(c(NC(=O)NC(C)(C)C)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-14.57,-.92,;-13.24,-.15,;-13.24,1.39,;-11.91,2.16,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.34,-1.61,;4.05,-2.15,;5.47,-1.56,;6.69,-2.5,;6.96,-1.16,;4.98,-.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,;-10.57,-.15,;-11.91,-.92,)| Show InChI InChI=1S/C26H34Cl2N8O/c1-26(2,3)34-25(37)33-23-18(21-19(27)7-5-8-20(21)28)15-17-16-30-24(32-22(17)31-23)29-9-6-10-36-13-11-35(4)12-14-36/h5,7-8,15-16H,6,9-14H2,1-4H3,(H3,29,30,31,32,33,34,37) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3481
(1-(4-bromophenyl)-3-[6-(2,6-dichlorophenyl)-2-{[3-...)Show SMILES CN1CCN(CCCNc2ncc3cc(c(NC(=O)Nc4ccc(Br)cc4)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(10.23,-16.39,;11.56,-15.62,;11.63,-14.08,;13,-13.38,;14.29,-14.21,;15.78,-13.81,;16.87,-14.9,;18.36,-14.5,;19.69,-15.27,;21.03,-14.5,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;26.36,-14.5,;27.69,-15.27,;27.69,-16.81,;26.36,-17.58,;29.03,-17.58,;29.03,-19.12,;27.67,-19.85,;27.62,-21.39,;28.93,-22.2,;28.88,-23.74,;30.29,-21.47,;30.34,-19.93,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;14.22,-15.75,;12.86,-16.45,)| Show InChI InChI=1S/C28H29BrCl2N8O/c1-38-12-14-39(15-13-38)11-3-10-32-27-33-17-18-16-21(24-22(30)4-2-5-23(24)31)26(35-25(18)36-27)37-28(40)34-20-8-6-19(29)7-9-20/h2,4-9,16-17H,3,10-15H2,1H3,(H3,32,33,34,35,36,37,40) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3487
(3-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin...)Show SMILES COc1ccc(NC(=O)Nc2nc3nc(NCCCN4CCN(C)CC4)ncc3cc2-c2c(Cl)cccc2Cl)cc1 |(30.19,-24.55,;28.88,-23.74,;28.93,-22.2,;27.62,-21.39,;27.67,-19.85,;29.03,-19.12,;29.03,-17.58,;27.69,-16.81,;26.36,-17.58,;27.69,-15.27,;26.36,-14.5,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;21.03,-14.5,;19.69,-15.27,;18.36,-14.5,;16.87,-14.9,;15.78,-13.81,;14.29,-14.21,;13,-13.38,;11.63,-14.08,;11.56,-15.62,;10.23,-16.39,;12.86,-16.45,;14.22,-15.75,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;30.34,-19.93,;30.29,-21.47,)| Show InChI InChI=1S/C29H32Cl2N8O2/c1-38-13-15-39(16-14-38)12-4-11-32-28-33-18-19-17-22(25-23(30)5-3-6-24(25)31)27(35-26(19)36-28)37-29(40)34-20-7-9-21(41-2)10-8-20/h3,5-10,17-18H,4,11-16H2,1-2H3,(H3,32,33,34,35,36,37,40) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM3471
(1-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin...)Show SMILES CC(C)NC(=O)Nc1nc2nc(NCCCN3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl |(5.49,-4.29,;4.16,-3.52,;2.83,-4.29,;4.16,-1.98,;2.83,-1.21,;1.49,-1.98,;2.83,.33,;1.49,1.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;-3.84,1.1,;-5.18,.33,;-6.51,1.1,;-8,.7,;-9.09,1.79,;-10.57,1.39,;-11.87,2.22,;-13.24,1.51,;-13.31,-.03,;-14.64,-.8,;-12.01,-.86,;-10.64,-.15,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)| Show InChI InChI=1S/C25H32Cl2N8O/c1-16(2)30-25(36)33-23-18(21-19(26)6-4-7-20(21)27)14-17-15-29-24(32-22(17)31-23)28-8-5-9-35-12-10-34(3)11-13-35/h4,6-7,14-16H,5,8-13H2,1-3H3,(H3,28,29,30,31,32,33,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM3470
(1-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin...)Show SMILES CN1CCN(CCCNc2ncc3cc(c(NC(=O)NCC=C)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-14.64,-.8,;-13.31,-.03,;-13.24,1.51,;-11.87,2.22,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;5.49,-4.29,;5.49,-5.83,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,;-10.64,-.15,;-12.01,-.86,)| Show InChI InChI=1S/C25H30Cl2N8O/c1-3-8-29-25(36)33-23-18(21-19(26)6-4-7-20(21)27)15-17-16-30-24(32-22(17)31-23)28-9-5-10-35-13-11-34(2)12-14-35/h3-4,6-7,15-16H,1,5,8-14H2,2H3,(H3,28,29,30,31,32,33,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM3467
(3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[4-(4-me...)Show SMILES CN1CCN(CCCCNc2ncc3cc(c(NC(=O)NC(C)(C)C)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-15.76,4.51,;-14.27,4.11,;-12.91,4.83,;-11.61,4.02,;-11.66,2.48,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;5.49,-4.29,;2.83,-4.29,;4.16,-5.06,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,;-13.02,1.76,;-14.33,2.57,)| Show InChI InChI=1S/C27H36Cl2N8O/c1-27(2,3)35-26(38)34-24-19(22-20(28)8-7-9-21(22)29)16-18-17-31-25(33-23(18)32-24)30-10-5-6-11-37-14-12-36(4)13-15-37/h7-9,16-17H,5-6,10-15H2,1-4H3,(H3,30,31,32,33,34,35,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3484
(3-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin...)Show SMILES CN1CCN(CCCNc2ncc3cc(c(NC(=O)Nc4ccc(C)cc4)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(10.23,-16.39,;11.56,-15.62,;11.63,-14.08,;13,-13.38,;14.29,-14.21,;15.78,-13.81,;16.87,-14.9,;18.36,-14.5,;19.69,-15.27,;21.03,-14.5,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;26.36,-14.5,;27.69,-15.27,;27.69,-16.81,;26.36,-17.58,;29.03,-17.58,;29.03,-19.12,;27.67,-19.85,;27.62,-21.39,;28.93,-22.2,;28.93,-23.74,;30.29,-21.47,;30.34,-19.93,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;14.22,-15.75,;12.86,-16.45,)| Show InChI InChI=1S/C29H32Cl2N8O/c1-19-7-9-21(10-8-19)34-29(40)37-27-22(25-23(30)5-3-6-24(25)31)17-20-18-33-28(36-26(20)35-27)32-11-4-12-39-15-13-38(2)14-16-39/h3,5-10,17-18H,4,11-16H2,1-2H3,(H3,32,33,34,35,36,37,40) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3480
(1-(4-chlorophenyl)-3-[6-(2,6-dichlorophenyl)-2-{[3...)Show SMILES CN1CCN(CCCNc2ncc3cc(c(NC(=O)Nc4ccc(Cl)cc4)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(10.23,-16.39,;11.56,-15.62,;11.63,-14.08,;13,-13.38,;14.29,-14.21,;15.78,-13.81,;16.87,-14.9,;18.36,-14.5,;19.69,-15.27,;21.03,-14.5,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;26.36,-14.5,;27.69,-15.27,;27.69,-16.81,;26.36,-17.58,;29.03,-17.58,;29.03,-19.12,;27.67,-19.85,;27.62,-21.39,;28.93,-22.2,;28.88,-23.74,;30.29,-21.47,;30.34,-19.93,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;14.22,-15.75,;12.86,-16.45,)| Show InChI InChI=1S/C28H29Cl3N8O/c1-38-12-14-39(15-13-38)11-3-10-32-27-33-17-18-16-21(24-22(30)4-2-5-23(24)31)26(35-25(18)36-27)37-28(40)34-20-8-6-19(29)7-9-20/h2,4-9,16-17H,3,10-15H2,1H3,(H3,32,33,34,35,36,37,40) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM3452
(1-cyclohexyl-3-[6-(2,6-dichlorophenyl)-2-{[4-(diet...)Show SMILES CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC3CCCCC3)nc2n1)-c1c(Cl)cccc1Cl |(-13.55,.59,;-13.15,2.08,;-11.66,2.48,;-11.26,3.96,;-9.78,4.36,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;2.83,-4.29,;2.83,-5.83,;4.16,-6.6,;5.49,-5.83,;5.49,-4.29,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)| Show InChI InChI=1S/C28H37Cl2N7O/c1-3-37(4-2)16-9-8-15-31-27-32-18-19-17-21(24-22(29)13-10-14-23(24)30)26(34-25(19)35-27)36-28(38)33-20-11-6-5-7-12-20/h10,13-14,17-18,20H,3-9,11-12,15-16H2,1-2H3,(H3,31,32,33,34,35,36,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM3451
(3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[4-(diet...)Show SMILES CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-13.55,.59,;-13.15,2.08,;-11.66,2.48,;-11.26,3.96,;-9.78,4.36,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;5.49,-4.29,;2.83,-4.29,;4.16,-5.06,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)| Show InChI InChI=1S/C26H35Cl2N7O/c1-6-35(7-2)14-9-8-13-29-24-30-16-17-15-18(21-19(27)11-10-12-20(21)28)23(31-22(17)32-24)33-25(36)34-26(3,4)5/h10-12,15-16H,6-9,13-14H2,1-5H3,(H3,29,30,31,32,33,34,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM3443
(1-[2-amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyr...)Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C Show InChI InChI=1S/C20H24N6O3/c1-20(2,3)26-19(27)25-17-15(8-12-10-22-18(21)24-16(12)23-17)11-6-13(28-4)9-14(7-11)29-5/h6-10H,1-5H3,(H4,21,22,23,24,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM3450
(1-[6-(2,6-dichlorophenyl)-2-{[4-(diethylamino)buty...)Show SMILES CCNC(=O)Nc1nc2nc(NCCCCN(CC)CC)ncc2cc1-c1c(Cl)cccc1Cl |(5.49,-4.29,;4.16,-3.52,;4.16,-1.98,;2.83,-1.21,;1.49,-1.98,;2.83,.33,;1.49,1.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;-3.84,1.1,;-5.18,.33,;-6.51,1.1,;-8,.7,;-9.09,1.79,;-10.57,1.39,;-11.66,2.48,;-13.15,2.08,;-13.55,.59,;-11.26,3.96,;-9.78,4.36,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)| Show InChI InChI=1S/C24H31Cl2N7O/c1-4-27-24(34)32-22-17(20-18(25)10-9-11-19(20)26)14-16-15-29-23(31-21(16)30-22)28-12-7-8-13-33(5-2)6-3/h9-11,14-15H,4-8,12-13H2,1-3H3,(H3,27,28,29,30,31,32,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM3465
(3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[3-(4-me...)Show SMILES CN1CCN(CCCNc2ncc3cc(c(NC(=O)NC(C)(C)C)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-14.57,-.92,;-13.24,-.15,;-13.24,1.39,;-11.91,2.16,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.34,-1.61,;4.05,-2.15,;5.47,-1.56,;6.69,-2.5,;6.96,-1.16,;4.98,-.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,;-10.57,-.15,;-11.91,-.92,)| Show InChI InChI=1S/C26H34Cl2N8O/c1-26(2,3)34-25(37)33-23-18(21-19(27)7-5-8-20(21)28)15-17-16-30-24(32-22(17)31-23)29-9-6-10-36-13-11-35(4)12-14-36/h5,7-8,15-16H,6,9-14H2,1-4H3,(H3,29,30,31,32,33,34,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM3469
(1-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin...)Show SMILES CCNC(=O)Nc1nc2nc(NCCCN3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl |(5.49,-4.29,;4.16,-3.52,;4.16,-1.98,;2.83,-1.21,;1.49,-1.98,;2.83,.33,;1.49,1.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;-3.84,1.1,;-5.18,.33,;-6.51,1.1,;-8,.7,;-9.09,1.79,;-10.57,1.39,;-11.87,2.22,;-13.24,1.51,;-13.31,-.03,;-14.64,-.8,;-12.01,-.86,;-10.64,-.15,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)| Show InChI InChI=1S/C24H30Cl2N8O/c1-3-27-24(35)32-22-17(20-18(25)6-4-7-19(20)26)14-16-15-29-23(31-21(16)30-22)28-8-5-9-34-12-10-33(2)11-13-34/h4,6-7,14-15H,3,5,8-13H2,1-2H3,(H3,27,28,29,30,31,32,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM3463
(3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[3-(2-me...)Show SMILES CC1CCCCN1CCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-11.91,3.7,;-11.91,2.16,;-13.24,1.39,;-13.24,-.15,;-11.91,-.92,;-10.57,-.15,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.34,-1.61,;4.05,-2.15,;5.47,-1.56,;6.69,-2.5,;6.96,-1.16,;4.98,-.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)| Show InChI InChI=1S/C27H35Cl2N7O/c1-17-9-5-6-13-36(17)14-8-12-30-25-31-16-18-15-19(22-20(28)10-7-11-21(22)29)24(32-23(18)33-25)34-26(37)35-27(2,3)4/h7,10-11,15-17H,5-6,8-9,12-14H2,1-4H3,(H3,30,31,32,33,34,35,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3468
(6-arylpyrido[2,3-d]pyrimidine deriv. 50 | [6-(2,6-...)Show SMILES CN1CCN(CCCNc2ncc3cc(c(NC(N)=O)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-14.64,-.8,;-13.31,-.03,;-13.24,1.51,;-11.87,2.22,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;4.16,-1.98,;1.49,-1.98,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,;-10.64,-.15,;-12.01,-.86,)| Show InChI InChI=1S/C22H26Cl2N8O/c1-31-8-10-32(11-9-31)7-3-6-26-22-27-13-14-12-15(18-16(23)4-2-5-17(18)24)20(29-21(25)33)28-19(14)30-22/h2,4-5,12-13H,3,6-11H2,1H3,(H4,25,26,27,28,29,30,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM3473
(1-benzyl-3-[6-(2,6-dichlorophenyl)-2-{[3-(4-methyl...)Show SMILES CN1CCN(CCCNc2ncc3cc(c(NC(=O)NCc4ccccc4)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-14.64,-.8,;-13.31,-.03,;-13.24,1.51,;-11.87,2.22,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;2.83,-4.29,;1.49,-3.52,;.16,-4.29,;.16,-5.83,;1.49,-6.6,;2.83,-5.83,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,;-10.64,-.15,;-12.01,-.86,)| Show InChI InChI=1S/C29H32Cl2N8O/c1-38-13-15-39(16-14-38)12-6-11-32-28-33-19-21-17-22(25-23(30)9-5-10-24(25)31)27(35-26(21)36-28)37-29(40)34-18-20-7-3-2-4-8-20/h2-5,7-10,17,19H,6,11-16,18H2,1H3,(H3,32,33,34,35,36,37,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM3486
(3-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin...)Show SMILES COc1cccc(NC(=O)Nc2nc3nc(NCCCN4CCN(C)CC4)ncc3cc2-c2c(Cl)cccc2Cl)c1 |(32.95,-21.55,;31.6,-22.28,;30.29,-21.47,;28.93,-22.2,;27.62,-21.39,;27.67,-19.85,;29.03,-19.12,;29.03,-17.58,;27.69,-16.81,;26.36,-17.58,;27.69,-15.27,;26.36,-14.5,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;21.03,-14.5,;19.69,-15.27,;18.36,-14.5,;16.87,-14.9,;15.78,-13.81,;14.29,-14.21,;13,-13.38,;11.63,-14.08,;11.56,-15.62,;10.23,-16.39,;12.86,-16.45,;14.22,-15.75,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;30.34,-19.93,)| Show InChI InChI=1S/C29H32Cl2N8O2/c1-38-12-14-39(15-13-38)11-5-10-32-28-33-18-19-16-22(25-23(30)8-4-9-24(25)31)27(35-26(19)36-28)37-29(40)34-20-6-3-7-21(17-20)41-2/h3-4,6-9,16-18H,5,10-15H2,1-2H3,(H3,32,33,34,35,36,37,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM3485
(3-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin...)Show SMILES COc1ccccc1NC(=O)Nc1nc2nc(NCCCN3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl |(33.16,-19.56,;31.67,-19.16,;30.34,-19.93,;30.29,-21.47,;28.93,-22.2,;27.62,-21.39,;27.67,-19.85,;29.03,-19.12,;29.03,-17.58,;27.69,-16.81,;26.36,-17.58,;27.69,-15.27,;26.36,-14.5,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;21.03,-14.5,;19.69,-15.27,;18.36,-14.5,;16.87,-14.9,;15.78,-13.81,;14.29,-14.21,;13,-13.38,;11.63,-14.08,;11.56,-15.62,;10.23,-16.39,;12.86,-16.45,;14.22,-15.75,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,)| Show InChI InChI=1S/C29H32Cl2N8O2/c1-38-13-15-39(16-14-38)12-6-11-32-28-33-18-19-17-20(25-21(30)7-5-8-22(25)31)27(35-26(19)36-28)37-29(40)34-23-9-3-4-10-24(23)41-2/h3-5,7-10,17-18H,6,11-16H2,1-2H3,(H3,32,33,34,35,36,37,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM3476
(6-arylpyrido[2,3-d]pyrimidine deriv. 58 | tert-but...)Show SMILES CN1CCN(CCCNc2ncc3cc(c(NC(=O)NCCNC(=O)OC(C)(C)C)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(10.23,-16.39,;11.56,-15.62,;11.63,-14.08,;13,-13.38,;14.29,-14.21,;15.78,-13.81,;16.87,-14.9,;18.36,-14.5,;19.69,-15.27,;21.03,-14.5,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;26.36,-14.5,;27.69,-15.27,;27.69,-16.81,;26.36,-17.58,;29.03,-17.58,;29.03,-19.12,;30.36,-19.89,;30.36,-21.43,;31.7,-22.2,;33.03,-21.43,;31.7,-23.74,;33.03,-24.51,;34.36,-23.74,;33.03,-26.05,;34.36,-25.28,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;14.22,-15.75,;12.86,-16.45,)| Show InChI InChI=1S/C29H39Cl2N9O3/c1-29(2,3)43-28(42)34-11-10-33-27(41)38-25-20(23-21(30)7-5-8-22(23)31)17-19-18-35-26(37-24(19)36-25)32-9-6-12-40-15-13-39(4)14-16-40/h5,7-8,17-18H,6,9-16H2,1-4H3,(H,34,42)(H3,32,33,35,36,37,38,41) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM3497
(6-arylpyrido[2,3-d]pyrimidine deriv. 79 | N-[6-(2,...)Show SMILES CN1CCN(CCCNc2ncc3cc(c(NS(=O)(=O)c4ccccc4)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(10.36,-17.58,;11.69,-16.81,;11.69,-15.27,;13.02,-14.5,;14.36,-15.27,;15.69,-14.5,;17.02,-15.27,;18.36,-14.5,;19.69,-15.27,;21.03,-14.5,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;26.36,-14.5,;27.69,-15.27,;27.69,-16.81,;26.36,-17.58,;29.03,-16.04,;28.46,-18.14,;28.46,-19.68,;29.8,-20.45,;31.13,-19.68,;31.13,-18.14,;29.8,-17.37,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;14.36,-16.81,;13.02,-17.58,)| Show InChI InChI=1S/C27H29Cl2N7O2S/c1-35-13-15-36(16-14-35)12-6-11-30-27-31-18-19-17-21(24-22(28)9-5-10-23(24)29)26(32-25(19)33-27)34-39(37,38)20-7-3-2-4-8-20/h2-5,7-10,17-18H,6,11-16H2,1H3,(H2,30,31,32,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM3461
(3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[3-(morp...)Show SMILES CC(C)(C)NC(=O)Nc1nc2nc(NCCCN3CCOCC3)ncc2cc1-c1c(Cl)cccc1Cl |(5.49,-4.29,;4.16,-3.52,;2.83,-4.29,;4.16,-5.06,;4.16,-1.98,;2.83,-1.21,;1.49,-1.98,;2.83,.33,;1.49,1.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;-3.84,1.1,;-5.18,.33,;-6.51,1.1,;-8,.7,;-9.09,1.79,;-10.57,1.39,;-11.91,2.16,;-13.24,1.39,;-13.24,-.15,;-11.91,-.92,;-10.57,-.15,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)| Show InChI InChI=1S/C25H31Cl2N7O2/c1-25(2,3)33-24(35)32-22-17(20-18(26)6-4-7-19(20)27)14-16-15-29-23(31-21(16)30-22)28-8-5-9-34-10-12-36-13-11-34/h4,6-7,14-15H,5,8-13H2,1-3H3,(H3,28,29,30,31,32,33,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3431
(3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[3-(diet...)Show SMILES CCN(CC)CCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-13.7,2.41,;-12.93,1.08,;-11.44,.68,;-11.24,-.85,;-9.82,-1.44,;-10.11,1.45,;-8.78,.68,;-7.44,1.45,;-6.11,.68,;-4.78,1.45,;-4.78,2.99,;-3.44,3.76,;-2.11,2.99,;-.77,3.76,;.56,2.99,;.56,1.45,;1.89,.68,;1.89,-.86,;.56,-1.63,;3.23,-1.63,;4.56,-.86,;5.89,-1.63,;4.56,.68,;5.89,-.09,;-.77,.68,;-2.11,1.45,;-3.44,.68,;1.89,3.76,;1.89,5.3,;.56,6.07,;3.23,6.07,;4.56,5.3,;4.56,3.76,;3.23,2.99,;3.23,1.45,)| Show InChI InChI=1S/C25H33Cl2N7O/c1-6-34(7-2)13-9-12-28-23-29-15-16-14-17(20-18(26)10-8-11-19(20)27)22(30-21(16)31-23)32-24(35)33-25(3,4)5/h8,10-11,14-15H,6-7,9,12-13H2,1-5H3,(H3,28,29,30,31,32,33,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM3487
(3-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin...)Show SMILES COc1ccc(NC(=O)Nc2nc3nc(NCCCN4CCN(C)CC4)ncc3cc2-c2c(Cl)cccc2Cl)cc1 |(30.19,-24.55,;28.88,-23.74,;28.93,-22.2,;27.62,-21.39,;27.67,-19.85,;29.03,-19.12,;29.03,-17.58,;27.69,-16.81,;26.36,-17.58,;27.69,-15.27,;26.36,-14.5,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;21.03,-14.5,;19.69,-15.27,;18.36,-14.5,;16.87,-14.9,;15.78,-13.81,;14.29,-14.21,;13,-13.38,;11.63,-14.08,;11.56,-15.62,;10.23,-16.39,;12.86,-16.45,;14.22,-15.75,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;30.34,-19.93,;30.29,-21.47,)| Show InChI InChI=1S/C29H32Cl2N8O2/c1-38-13-15-39(16-14-38)12-4-11-32-28-33-18-19-17-22(25-23(30)5-3-6-24(25)31)27(35-26(19)36-28)37-29(40)34-20-7-9-21(41-2)10-8-20/h3,5-10,17-18H,4,11-16H2,1-2H3,(H3,32,33,34,35,36,37,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM3477
(1-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin...)Show SMILES CN(C)CCNC(=O)Nc1nc2nc(NCCCN3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl |(29.03,-22.2,;30.36,-21.43,;31.7,-22.2,;30.36,-19.89,;29.03,-19.12,;29.03,-17.58,;27.69,-16.81,;26.36,-17.58,;27.69,-15.27,;26.36,-14.5,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;21.03,-14.5,;19.69,-15.27,;18.36,-14.5,;16.87,-14.9,;15.78,-13.81,;14.29,-14.21,;13,-13.38,;11.63,-14.08,;11.56,-15.62,;10.23,-16.39,;12.86,-16.45,;14.22,-15.75,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,)| Show InChI InChI=1S/C26H35Cl2N9O/c1-35(2)11-9-30-26(38)34-24-19(22-20(27)6-4-7-21(22)28)16-18-17-31-25(33-23(18)32-24)29-8-5-10-37-14-12-36(3)13-15-37/h4,6-7,16-17H,5,8-15H2,1-3H3,(H3,29,30,31,32,33,34,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM3455
(3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[3-(dime...)Show SMILES CN(C)CCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-11.66,2.48,;-10.57,1.39,;-10.57,-.15,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;5.49,-4.29,;2.83,-4.29,;4.16,-5.06,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)| Show InChI InChI=1S/C23H29Cl2N7O/c1-23(2,3)31-22(33)30-20-15(18-16(24)8-6-9-17(18)25)12-14-13-27-21(29-19(14)28-20)26-10-7-11-32(4)5/h6,8-9,12-13H,7,10-11H2,1-5H3,(H3,26,27,28,29,30,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM3448
(1-[6-(2,6-dichlorophenyl)-2-{[3-(diethylamino)prop...)Show SMILES CCN(CC)CCCNc1ncc2cc(c(NC(=O)NC(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-13.15,2.08,;-11.66,2.48,;-10.57,1.39,;-10.57,-.15,;-11.91,-.92,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;2.83,-4.29,;5.49,-4.29,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)| Show InChI InChI=1S/C24H31Cl2N7O/c1-5-33(6-2)12-8-11-27-23-28-14-16-13-17(20-18(25)9-7-10-19(20)26)22(30-21(16)31-23)32-24(34)29-15(3)4/h7,9-10,13-15H,5-6,8,11-12H2,1-4H3,(H3,27,28,29,30,31,32,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3448
(1-[6-(2,6-dichlorophenyl)-2-{[3-(diethylamino)prop...)Show SMILES CCN(CC)CCCNc1ncc2cc(c(NC(=O)NC(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-13.15,2.08,;-11.66,2.48,;-10.57,1.39,;-10.57,-.15,;-11.91,-.92,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;2.83,-4.29,;5.49,-4.29,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)| Show InChI InChI=1S/C24H31Cl2N7O/c1-5-33(6-2)12-8-11-27-23-28-14-16-13-17(20-18(25)9-7-10-19(20)26)22(30-21(16)31-23)32-24(34)29-15(3)4/h7,9-10,13-15H,5-6,8,11-12H2,1-4H3,(H3,27,28,29,30,31,32,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM3431
(3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[3-(diet...)Show SMILES CCN(CC)CCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-13.7,2.41,;-12.93,1.08,;-11.44,.68,;-11.24,-.85,;-9.82,-1.44,;-10.11,1.45,;-8.78,.68,;-7.44,1.45,;-6.11,.68,;-4.78,1.45,;-4.78,2.99,;-3.44,3.76,;-2.11,2.99,;-.77,3.76,;.56,2.99,;.56,1.45,;1.89,.68,;1.89,-.86,;.56,-1.63,;3.23,-1.63,;4.56,-.86,;5.89,-1.63,;4.56,.68,;5.89,-.09,;-.77,.68,;-2.11,1.45,;-3.44,.68,;1.89,3.76,;1.89,5.3,;.56,6.07,;3.23,6.07,;4.56,5.3,;4.56,3.76,;3.23,2.99,;3.23,1.45,)| Show InChI InChI=1S/C25H33Cl2N7O/c1-6-34(7-2)13-9-12-28-23-29-15-16-14-17(20-18(26)10-8-11-19(20)27)22(30-21(16)31-23)32-24(35)33-25(3,4)5/h8,10-11,14-15H,6-7,9,12-13H2,1-5H3,(H3,28,29,30,31,32,33,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM3479
(3-[6-(2,6-dichlorophenyl)-2-{[3-(4-methylpiperazin...)Show SMILES CN1CCN(CCCNc2ncc3cc(c(NC(=O)Nc4ccccc4)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(10.23,-16.39,;11.56,-15.62,;11.63,-14.08,;13,-13.38,;14.29,-14.21,;15.78,-13.81,;16.87,-14.9,;18.36,-14.5,;19.69,-15.27,;21.03,-14.5,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;26.36,-14.5,;27.69,-15.27,;27.69,-16.81,;26.36,-17.58,;29.03,-17.58,;29.03,-19.12,;27.67,-19.85,;27.62,-21.39,;28.93,-22.2,;30.29,-21.47,;30.34,-19.93,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;14.22,-15.75,;12.86,-16.45,)| Show InChI InChI=1S/C28H30Cl2N8O/c1-37-13-15-38(16-14-37)12-6-11-31-27-32-18-19-17-21(24-22(29)9-5-10-23(24)30)26(34-25(19)35-27)36-28(39)33-20-7-3-2-4-8-20/h2-5,7-10,17-18H,6,11-16H2,1H3,(H3,31,32,33,34,35,36,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3483
(1-(3,4-dichlorophenyl)-3-[6-(2,6-dichlorophenyl)-2...)Show SMILES CN1CCN(CCCNc2ncc3cc(c(NC(=O)Nc4ccc(Cl)c(Cl)c4)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(10.23,-16.39,;11.56,-15.62,;11.63,-14.08,;13,-13.38,;14.29,-14.21,;15.78,-13.81,;16.87,-14.9,;18.36,-14.5,;19.69,-15.27,;21.03,-14.5,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;26.36,-14.5,;27.69,-15.27,;27.69,-16.81,;26.36,-17.58,;29.03,-17.58,;29.03,-19.12,;27.67,-19.85,;27.62,-21.39,;28.93,-22.2,;28.93,-23.74,;30.29,-21.47,;31.62,-22.24,;30.34,-19.93,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;14.22,-15.75,;12.86,-16.45,)| Show InChI InChI=1S/C28H28Cl4N8O/c1-39-10-12-40(13-11-39)9-3-8-33-27-34-16-17-14-19(24-21(30)4-2-5-22(24)31)26(36-25(17)37-27)38-28(41)35-18-6-7-20(29)23(32)15-18/h2,4-7,14-16H,3,8-13H2,1H3,(H3,33,34,35,36,37,38,41) | PDB
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Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
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Ligand-Target Pair | |
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