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Compile Data Set for Download or QSAR

Found 442 hits with Last Name = 'saad' and Initial = 'a'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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1n/an/an/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 103: 3153-8 (2006)


Article DOI: 10.1073/pnas.0511292103
BindingDB Entry DOI: 10.7270/Q21Z430B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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2n/an/an/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 103: 3153-8 (2006)


Article DOI: 10.1073/pnas.0511292103
BindingDB Entry DOI: 10.7270/Q21Z430B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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2n/an/an/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 103: 3153-8 (2006)


Article DOI: 10.1073/pnas.0511292103
BindingDB Entry DOI: 10.7270/Q21Z430B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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2n/an/an/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 103: 3153-8 (2006)


Article DOI: 10.1073/pnas.0511292103
BindingDB Entry DOI: 10.7270/Q21Z430B
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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2n/an/an/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 103: 3153-8 (2006)


Article DOI: 10.1073/pnas.0511292103
BindingDB Entry DOI: 10.7270/Q21Z430B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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3n/an/an/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 103: 3153-8 (2006)


Article DOI: 10.1073/pnas.0511292103
BindingDB Entry DOI: 10.7270/Q21Z430B
More data for this
Ligand-Target Pair
Ephrin type-B receptor 2


(Homo sapiens (Human))
BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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4n/an/an/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 103: 3153-8 (2006)


Article DOI: 10.1073/pnas.0511292103
BindingDB Entry DOI: 10.7270/Q21Z430B
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50247053
PNG
(1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine ...)
Show SMILES Clc1ccc(CCCOCCCN2CCCCC2)cc1
Show InChI InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
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12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-Methylhistamine from recombinant human histamine H3 receptor expressed in human HEK293 cells incubated for 90 mins by mic...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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14n/an/an/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 103: 3153-8 (2006)


Article DOI: 10.1073/pnas.0511292103
BindingDB Entry DOI: 10.7270/Q21Z430B
More data for this
Ligand-Target Pair
Ephrin type-B receptor 1


(Homo sapiens (Human))
BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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15n/an/an/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 103: 3153-8 (2006)


Article DOI: 10.1073/pnas.0511292103
BindingDB Entry DOI: 10.7270/Q21Z430B
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50247053
PNG
(1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine ...)
Show SMILES Clc1ccc(CCCOCCCN2CCCCC2)cc1
Show InChI InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
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30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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37n/an/an/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 103: 3153-8 (2006)


Article DOI: 10.1073/pnas.0511292103
BindingDB Entry DOI: 10.7270/Q21Z430B
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556119
PNG
(CHEMBL4757387)
Show SMILES CC1CCCN(CCCCCOc2ccc3oc4cc(Cl)ccc4c(=O)c3c2)C1
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56n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50053435
PNG
(CHEMBL3323035)
Show SMILES C(COc1ccc2N=C3CCCN3Cc2c1)CN1CCCCC1 |t:7|
Show InChI InChI=1S/C19H27N3O/c1-2-9-21(10-3-1)11-5-13-23-17-7-8-18-16(14-17)15-22-12-4-6-19(22)20-18/h7-8,14H,1-6,9-13,15H2
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76n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine H3 receptor expressed in Sf9 cells incubated for 60 mins by liquid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556131
PNG
(CHEMBL4789324)
Show SMILES Clc1ccc2c(c1)oc1ccc(OCCCCCN3CCCCCC3)cc1c2=O
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86n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556127
PNG
(CHEMBL4777210)
Show SMILES CC1CCN(CCCCCCOc2ccc3oc4ccccc4c(=O)c3c2)CC1
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97n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556121
PNG
(CHEMBL4796334)
Show SMILES CC1CCCN(CCCCCCOc2ccc3oc4ccccc4c(=O)c3c2)C1
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100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556132
PNG
(CHEMBL4783624)
Show SMILES Clc1ccc2oc3ccc(OCCCCCN4CCCCCC4)cc3c(=O)c2c1
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100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556124
PNG
(CHEMBL4797681)
Show SMILES CC1CCN(CCCCCOc2ccc3oc4ccccc4c(=O)c3c2)CC1
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110n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556126
PNG
(CHEMBL4786252)
Show SMILES CC1CCN(CCCCCOc2ccc3oc4ccc(Cl)cc4c(=O)c3c2)CC1
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140n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556120
PNG
(CHEMBL4784081)
Show SMILES CC1CCCN(CCCCCOc2ccc3oc4ccc(Cl)cc4c(=O)c3c2)C1
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148n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556114
PNG
(CHEMBL4798732)
Show SMILES Clc1ccc2oc3ccc(OCCCCCN4CCCCC4)cc3c(=O)c2c1
PDB

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150n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556118
PNG
(CHEMBL4759463)
Show SMILES CC1CCCN(CCCCCOc2ccc3oc4ccccc4c(=O)c3c2)C1
PDB

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156n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556130
PNG
(CHEMBL4797355)
Show SMILES O=c1c2ccccc2oc2ccc(OCCCCCN3CCCCCC3)cc12
PDB

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170n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556113
PNG
(CHEMBL4750579)
Show SMILES O=c1c2ccccc2oc2ccc(OCCCCCN3CCCCC3)cc12
PDB

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172n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556116
PNG
(CHEMBL4797867)
Show SMILES Clc1ccc2c(c1)oc1ccc(OCCCCCCN3CCCCC3)cc1c2=O
PDB

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203n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556135
PNG
(CHEMBL4747044)
Show SMILES Clc1ccc2oc3ccc(OCCCCCCN4CCCCCC4)cc3c(=O)c2c1
PDB

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238n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556117
PNG
(CHEMBL4785098)
Show SMILES Clc1ccc2oc3ccc(OCCCCCCN4CCCCC4)cc3c(=O)c2c1
PDB

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282n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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298n/an/an/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 103: 3153-8 (2006)


Article DOI: 10.1073/pnas.0511292103
BindingDB Entry DOI: 10.7270/Q21Z430B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556123
PNG
(CHEMBL4790939)
Show SMILES CC1CCCN(CCCCCCOc2ccc3oc4ccc(Cl)cc4c(=O)c3c2)C1
PDB

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436n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556125
PNG
(CHEMBL4784025)
Show SMILES CC1CCN(CCCCCOc2ccc3oc4cc(Cl)ccc4c(=O)c3c2)CC1
PDB

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448n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556129
PNG
(CHEMBL4784501)
Show SMILES CC1CCN(CCCCCCOc2ccc3oc4ccc(Cl)cc4c(=O)c3c2)CC1
PDB

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465n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556133
PNG
(CHEMBL4744451)
Show SMILES O=c1c2ccccc2oc2ccc(OCCCCCCN3CCCCCC3)cc12
PDB

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496n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556128
PNG
(CHEMBL4741039)
Show SMILES CC1CCN(CCCCCCOc2ccc3oc4cc(Cl)ccc4c(=O)c3c2)CC1
PDB

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520n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556134
PNG
(CHEMBL4746282)
Show SMILES Clc1ccc2c(c1)oc1ccc(OCCCCCCN3CCCCCC3)cc1c2=O
PDB

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602n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556115
PNG
(CHEMBL4794003)
Show SMILES O=c1c2ccccc2oc2ccc(OCCCCCCN3CCCCC3)cc12
PDB

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1.06E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50556122
PNG
(CHEMBL4793206)
Show SMILES CC1CCCN(CCCCCCOc2ccc3oc4cc(Cl)ccc4c(=O)c3c2)C1
PDB

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1.11E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cells by microbeta scintillation analysi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112743
BindingDB Entry DOI: 10.7270/Q2P272S9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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2.14E+3n/an/an/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 103: 3153-8 (2006)


Article DOI: 10.1073/pnas.0511292103
BindingDB Entry DOI: 10.7270/Q21Z430B
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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3.60E+3n/an/an/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 103: 3153-8 (2006)


Article DOI: 10.1073/pnas.0511292103
BindingDB Entry DOI: 10.7270/Q21Z430B
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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3.95E+3n/an/an/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 103: 3153-8 (2006)


Article DOI: 10.1073/pnas.0511292103
BindingDB Entry DOI: 10.7270/Q21Z430B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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4.07E+3n/an/an/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 103: 3153-8 (2006)


Article DOI: 10.1073/pnas.0511292103
BindingDB Entry DOI: 10.7270/Q21Z430B
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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4.10E+3n/an/an/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 103: 3153-8 (2006)


Article DOI: 10.1073/pnas.0511292103
BindingDB Entry DOI: 10.7270/Q21Z430B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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4.72E+3n/an/an/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 103: 3153-8 (2006)


Article DOI: 10.1073/pnas.0511292103
BindingDB Entry DOI: 10.7270/Q21Z430B
More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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4.81E+3n/an/an/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 103: 3153-8 (2006)


Article DOI: 10.1073/pnas.0511292103
BindingDB Entry DOI: 10.7270/Q21Z430B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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6.89E+3n/an/an/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 103: 3153-8 (2006)


Article DOI: 10.1073/pnas.0511292103
BindingDB Entry DOI: 10.7270/Q21Z430B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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7.10E+3n/an/an/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 103: 3153-8 (2006)


Article DOI: 10.1073/pnas.0511292103
BindingDB Entry DOI: 10.7270/Q21Z430B
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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7.22E+3n/an/an/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 103: 3153-8 (2006)


Article DOI: 10.1073/pnas.0511292103
BindingDB Entry DOI: 10.7270/Q21Z430B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fgr


(Homo sapiens (Human))
BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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7.74E+3n/an/an/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 103: 3153-8 (2006)


Article DOI: 10.1073/pnas.0511292103
BindingDB Entry DOI: 10.7270/Q21Z430B
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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8.02E+3n/an/an/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 103: 3153-8 (2006)


Article DOI: 10.1073/pnas.0511292103
BindingDB Entry DOI: 10.7270/Q21Z430B
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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8.24E+3n/an/an/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 103: 3153-8 (2006)


Article DOI: 10.1073/pnas.0511292103
BindingDB Entry DOI: 10.7270/Q21Z430B
More data for this
Ligand-Target Pair
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