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Compile Data Set for Download or QSAR

Found 242 hits with Last Name = 'chaudhary' 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
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50084137
PNG
(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)
Show SMILES Cc1cccc(n1)C#Cc1ccccc1
Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
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0.300n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Life Sci 73: 371-9 (2003)


Article DOI: 10.1016/s0024-3205(03)00272-8
BindingDB Entry DOI: 10.7270/Q2KD1WHW
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50030629
PNG
((R,S)-4-Carboxy-3-hydroxyphenylglycine | (S)-4CPG ...)
Show SMILES NC(C(O)=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)
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1.10E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Life Sci 73: 371-9 (2003)


Article DOI: 10.1016/s0024-3205(03)00272-8
BindingDB Entry DOI: 10.7270/Q2KD1WHW
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50030630
PNG
((RS)-1-aminoindan-1,5-dicarboxylic acid | 1-Amino-...)
Show SMILES NC1(CCc2cc(ccc12)C(O)=O)C(O)=O
Show InChI InChI=1/C11H11NO4/c12-11(10(15)16)4-3-6-5-7(9(13)14)1-2-8(6)11/h1-2,5H,3-4,12H2,(H,13,14)(H,15,16)
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1.10E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Life Sci 73: 371-9 (2003)


Article DOI: 10.1016/s0024-3205(03)00272-8
BindingDB Entry DOI: 10.7270/Q2KD1WHW
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM22869
PNG
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)
Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3
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7.60E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Life Sci 73: 371-9 (2003)


Article DOI: 10.1016/s0024-3205(03)00272-8
BindingDB Entry DOI: 10.7270/Q2KD1WHW
More data for this
Ligand-Target Pair
NR2B Channel Blocker


(RAT)
BDBM86153
PNG
(CAS_180081 | MK-801 | NSC_180081)
Show SMILES CC12NC(Cc3ccccc13)c1ccccc21
Show InChI InChI=1/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3
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7.60E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Life Sci 73: 371-9 (2003)


Article DOI: 10.1016/s0024-3205(03)00272-8
BindingDB Entry DOI: 10.7270/Q2KD1WHW
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50032651
PNG
(1-((1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-y...)
Show SMILES C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(CC1)c1ccccc1
Show InChI InChI=1S/C20H25NO3/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17/h2-10,15,19,22-24H,11-14H2,1H3/t15-,19+/m0/s1
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7.60E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Life Sci 73: 371-9 (2003)


Article DOI: 10.1016/s0024-3205(03)00272-8
BindingDB Entry DOI: 10.7270/Q2KD1WHW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM86230
PNG
(CAS_146-48-5 | NSC_2866 | YOHIMBINE)
Show SMILES COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC12
Show InChI InChI=1/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3
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7.60E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Life Sci 73: 371-9 (2003)


Article DOI: 10.1016/s0024-3205(03)00272-8
BindingDB Entry DOI: 10.7270/Q2KD1WHW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM86231
PNG
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3
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7.60E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Life Sci 73: 371-9 (2003)


Article DOI: 10.1016/s0024-3205(03)00272-8
BindingDB Entry DOI: 10.7270/Q2KD1WHW
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM86232
PNG
(Benoxathian | CAS_2325 | NSC_2325)
Show SMILES COc1cccc(OC)c1OCCNCC1CSc2ccccc2O1
Show InChI InChI=1/C19H23NO4S/c1-21-16-7-5-8-17(22-2)19(16)23-11-10-20-12-14-13-25-18-9-4-3-6-15(18)24-14/h3-9,14,20H,10-13H2,1-2H3
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7.60E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Life Sci 73: 371-9 (2003)


Article DOI: 10.1016/s0024-3205(03)00272-8
BindingDB Entry DOI: 10.7270/Q2KD1WHW
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50374938
PNG
(CHEMBL402163)
Show SMILES CS(=O)(=O)c1ccc(-c2noc(n2)[C@@H](CC2CC2)[C@H](N)C(F)=C2CCCC2)c(Cl)c1
Show InChI InChI=1/C21H25ClFN3O3S/c1-30(27,28)14-8-9-15(17(22)11-14)20-25-21(29-26-20)16(10-12-6-7-12)19(24)18(23)13-4-2-3-5-13/h8-9,11-12,16,19H,2-7,10,24H2,1H3/t16-,19-/s2
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n/an/a 0.210n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 expressed in insect cell


Bioorg Med Chem Lett 18: 2409-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.050
BindingDB Entry DOI: 10.7270/Q2HD7WJ0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
High affinity nerve growth factor receptor


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



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKA (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50092079
PNG
(CHEMBL3582439)
Show SMILES Fc1cccc(c1)[C@H]1CCCN1c1ccc2ncc(-c3ccccn3)n2n1
Show InChI InChI=1/C21H18FN5/c22-16-6-3-5-15(13-16)18-8-4-12-26(18)21-10-9-20-24-14-19(27(20)25-21)17-7-1-2-11-23-17/h1-3,5-7,9-11,13-14,18H,4,8,12H2/t18-/s2
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Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKB (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


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



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50092079
PNG
(CHEMBL3582439)
Show SMILES Fc1cccc(c1)[C@H]1CCCN1c1ccc2ncc(-c3ccccn3)n2n1
Show InChI InChI=1/C21H18FN5/c22-16-6-3-5-15(13-16)18-8-4-12-26(18)21-10-9-20-24-14-19(27(20)25-21)17-7-1-2-11-23-17/h1-3,5-7,9-11,13-14,18H,4,8,12H2/t18-/s2
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n/an/a 1n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


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



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of TPM3-fused TRKA (unknown origin) expressed in human KM12 cells assessed as inhibition of cell proliferation after 48 hrs by luciferase ...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


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



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of NGF-activated full length TRKA (unknown origin) expressed in mouse BA/F3 cells assessed as inhibition of cell proliferation


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


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

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKB (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50092081
PNG
(CHEMBL3582442)
Show SMILES OC1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1
Show InChI InChI=1/C26H27FN6O/c27-20-4-1-3-18(15-20)22-5-2-12-32(22)25-7-6-24-29-17-23(33(24)30-25)19-8-11-28-26(16-19)31-13-9-21(34)10-14-31/h1,3-4,6-8,11,15-17,21-22,34H,2,5,9-10,12-14H2/t22-/s2
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n/an/a 2n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50092132
PNG
(CHEMBL3582440)
Show SMILES OC1CCN(CC1)c1cccc(n1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1
Show InChI InChI=1/C26H27FN6O/c27-19-5-1-4-18(16-19)22-7-3-13-32(22)26-10-9-24-28-17-23(33(24)30-26)21-6-2-8-25(29-21)31-14-11-20(34)12-15-31/h1-2,4-6,8-10,16-17,20,22,34H,3,7,11-15H2/t22-/s2
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n/an/a 2n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50092104
PNG
(CHEMBL3582432)
Show SMILES Fc1cccc(CNc2ccc3ncc(-c4ccc(NC(=O)C5CCOCC5)cc4)n3n2)c1
Show InChI InChI=1S/C25H24FN5O2/c26-20-3-1-2-17(14-20)15-27-23-8-9-24-28-16-22(31(24)30-23)18-4-6-21(7-5-18)29-25(32)19-10-12-33-13-11-19/h1-9,14,16,19H,10-13,15H2,(H,27,30)(H,29,32)
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n/an/a 3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50092081
PNG
(CHEMBL3582442)
Show SMILES OC1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1
Show InChI InChI=1/C26H27FN6O/c27-20-4-1-3-18(15-20)22-5-2-12-32(22)25-7-6-24-29-17-23(33(24)30-25)19-8-11-28-26(16-19)31-13-9-21(34)10-14-31/h1,3-4,6-8,11,15-17,21-22,34H,2,5,9-10,12-14H2/t22-/s2
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n/an/a 3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of NGF-activated full length TRKA (unknown origin) expressed in mouse BA/F3 cells assessed as inhibition of cell proliferation


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50092085
PNG
(CHEMBL3582438)
Show SMILES Fc1cccc(c1)[C@H]1CCCN1c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
Show InChI InChI=1/C23H18FN5/c24-19-4-1-3-18(13-19)20-5-2-12-28(20)23-11-10-22-26-15-21(29(22)27-23)17-8-6-16(14-25)7-9-17/h1,3-4,6-11,13,15,20H,2,5,12H2/t20-/s2
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n/an/a 3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50092079
PNG
(CHEMBL3582439)
Show SMILES Fc1cccc(c1)[C@H]1CCCN1c1ccc2ncc(-c3ccccn3)n2n1
Show InChI InChI=1/C21H18FN5/c22-16-6-3-5-15(13-16)18-8-4-12-26(18)21-10-9-20-24-14-19(27(20)25-21)17-7-1-2-11-23-17/h1-3,5-7,9-11,13-14,18H,4,8,12H2/t18-/s2
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n/an/a 3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKA (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50374941
PNG
(CHEMBL445674)
Show SMILES CS(=O)(=O)c1ccc(-c2noc(n2)[C@@H](CCO)[C@H](N)C(F)=C2CCCC2)c(Cl)c1
Show InChI InChI=1/C19H23ClFN3O4S/c1-29(26,27)12-6-7-13(15(20)10-12)18-23-19(28-24-18)14(8-9-25)17(22)16(21)11-4-2-3-5-11/h6-7,10,14,17,25H,2-5,8-9,22H2,1H3/t14-,17-/s2
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n/an/a 3.20n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 expressed in insect cell


Bioorg Med Chem Lett 18: 2409-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.050
BindingDB Entry DOI: 10.7270/Q2HD7WJ0
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM15581
PNG
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C
Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
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n/an/a 3.70n/an/an/an/an/an/a



Manipal College of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in bovine brain mitochondria using serotonin as substrate preincubated for 30 mins measured after 30 mins by spectrofluorimetric ...


Bioorg Med Chem Lett 25: 5281-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.048
BindingDB Entry DOI: 10.7270/Q2M90BH5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50092081
PNG
(CHEMBL3582442)
Show SMILES OC1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1
Show InChI InChI=1/C26H27FN6O/c27-20-4-1-3-18(15-20)22-5-2-12-32(22)25-7-6-24-29-17-23(33(24)30-25)19-8-11-28-26(16-19)31-13-9-21(34)10-14-31/h1,3-4,6-8,11,15-17,21-22,34H,2,5,9-10,12-14H2/t22-/s2
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n/an/a 4n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKA (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50092086
PNG
(CHEMBL3582433)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc2ccc(NCc3cccc(F)c3)nn12
Show InChI InChI=1S/C19H16FN5O2S/c20-15-3-1-2-13(10-15)11-22-18-8-9-19-23-12-17(25(19)24-18)14-4-6-16(7-5-14)28(21,26)27/h1-10,12H,11H2,(H,22,24)(H2,21,26,27)
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n/an/a 4n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50092081
PNG
(CHEMBL3582442)
Show SMILES OC1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1
Show InChI InChI=1/C26H27FN6O/c27-20-4-1-3-18(15-20)22-5-2-12-32(22)25-7-6-24-29-17-23(33(24)30-25)19-8-11-28-26(16-19)31-13-9-21(34)10-14-31/h1,3-4,6-8,11,15-17,21-22,34H,2,5,9-10,12-14H2/t22-/s2
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n/an/a 4n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKB (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50092132
PNG
(CHEMBL3582440)
Show SMILES OC1CCN(CC1)c1cccc(n1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1
Show InChI InChI=1/C26H27FN6O/c27-19-5-1-4-18(16-19)22-7-3-13-32(22)26-10-9-24-28-17-23(33(24)30-26)21-6-2-8-25(29-21)31-14-11-20(34)12-15-31/h1-2,4-6,8-10,16-17,20,22,34H,3,7,11-15H2/t22-/s2
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n/an/a 4n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKB (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50092132
PNG
(CHEMBL3582440)
Show SMILES OC1CCN(CC1)c1cccc(n1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1
Show InChI InChI=1/C26H27FN6O/c27-19-5-1-4-18(16-19)22-7-3-13-32(22)26-10-9-24-28-17-23(33(24)30-26)21-6-2-8-25(29-21)31-14-11-20(34)12-15-31/h1-2,4-6,8-10,16-17,20,22,34H,3,7,11-15H2/t22-/s2
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n/an/a 5n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKA (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50092104
PNG
(CHEMBL3582432)
Show SMILES Fc1cccc(CNc2ccc3ncc(-c4ccc(NC(=O)C5CCOCC5)cc4)n3n2)c1
Show InChI InChI=1S/C25H24FN5O2/c26-20-3-1-2-17(14-20)15-27-23-8-9-24-28-16-22(31(24)30-23)18-4-6-21(7-5-18)29-25(32)19-10-12-33-13-11-19/h1-9,14,16,19H,10-13,15H2,(H,27,30)(H,29,32)
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n/an/a 6n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKA (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50092090
PNG
(CHEMBL3582429)
Show SMILES Fc1cccc(CNc2ccc3ncc(-c4ccc(cc4)C#N)n3n2)c1
Show InChI InChI=1S/C20H14FN5/c21-17-3-1-2-15(10-17)12-23-19-8-9-20-24-13-18(26(20)25-19)16-6-4-14(11-22)5-7-16/h1-10,13H,12H2,(H,23,25)
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n/an/a 6n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50092104
PNG
(CHEMBL3582432)
Show SMILES Fc1cccc(CNc2ccc3ncc(-c4ccc(NC(=O)C5CCOCC5)cc4)n3n2)c1
Show InChI InChI=1S/C25H24FN5O2/c26-20-3-1-2-17(14-20)15-27-23-8-9-24-28-16-22(31(24)30-23)18-4-6-21(7-5-18)29-25(32)19-10-12-33-13-11-19/h1-9,14,16,19H,10-13,15H2,(H,27,30)(H,29,32)
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n/an/a 7n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKB (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50237207
PNG
((2S)-3-(3-(2-chloro-4-(methylsulfonyl)phenyl)-1,2,...)
Show SMILES CC([C@H](N)C(F)=C1CCCC1)c1nc(no1)-c1ccc(cc1Cl)S(C)(=O)=O
Show InChI InChI=1/C18H21ClFN3O3S/c1-10(16(21)15(20)11-5-3-4-6-11)18-22-17(23-26-18)13-8-7-12(9-14(13)19)27(2,24)25/h7-10,16H,3-6,21H2,1-2H3/t10?,16-/s2
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n/an/a 7.5n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 expressed in insect cell


Bioorg Med Chem Lett 18: 2409-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.050
BindingDB Entry DOI: 10.7270/Q2HD7WJ0
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50092083
PNG
(CHEMBL3582436)
Show SMILES Fc1cccc(c1)C1CCCN1c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
Show InChI InChI=1/C23H18FN5/c24-19-4-1-3-18(13-19)20-5-2-12-28(20)23-11-10-22-26-15-21(29(22)27-23)17-8-6-16(14-25)7-9-17/h1,3-4,6-11,13,15,20H,2,5,12H2
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n/an/a 8n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50143361
PNG
((S)-N*4*-Acridin-9-yl-N*1*,N*1*-diethyl-heptane-1,...)
Show SMILES CCC[C@@H](CCCN(CC)CC)Nc1c2ccccc2nc2ccccc12
Show InChI InChI=1S/C24H33N3/c1-4-12-19(13-11-18-27(5-2)6-3)25-24-20-14-7-9-16-22(20)26-23-17-10-8-15-21(23)24/h7-10,14-17,19H,4-6,11-13,18H2,1-3H3,(H,25,26)/t19-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards alpha2-delta subunit of a voltage gated calcium channel using [3H]-gabapentin in human brain membrane (A710 membrane)


Bioorg Med Chem Lett 14: 1913-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.087
BindingDB Entry DOI: 10.7270/Q2HQ3ZBQ
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50092081
PNG
(CHEMBL3582442)
Show SMILES OC1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1
Show InChI InChI=1/C26H27FN6O/c27-20-4-1-3-18(15-20)22-5-2-12-32(22)25-7-6-24-29-17-23(33(24)30-25)19-8-11-28-26(16-19)31-13-9-21(34)10-14-31/h1,3-4,6-8,11,15-17,21-22,34H,2,5,9-10,12-14H2/t22-/s2
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n/an/a 10n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of TPM3-fused TRKA (unknown origin) expressed in human KM12 cells assessed as inhibition of cell proliferation after 48 hrs by luciferase ...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50092085
PNG
(CHEMBL3582438)
Show SMILES Fc1cccc(c1)[C@H]1CCCN1c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
Show InChI InChI=1/C23H18FN5/c24-19-4-1-3-18(13-19)20-5-2-12-28(20)23-11-10-22-26-15-21(29(22)27-23)17-8-6-16(14-25)7-9-17/h1,3-4,6-11,13,15,20H,2,5,12H2/t20-/s2
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n/an/a 11n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKB (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50092088
PNG
(CHEMBL3582434)
Show SMILES Fc1cccc(c1)C1CCCCN1c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
Show InChI InChI=1/C24H20FN5/c25-20-5-3-4-19(14-20)21-6-1-2-13-29(21)24-12-11-23-27-16-22(30(23)28-24)18-9-7-17(15-26)8-10-18/h3-5,7-12,14,16,21H,1-2,6,13H2
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n/an/a 11n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50374939
PNG
(CHEMBL404079)
Show SMILES CS(=O)(=O)c1ccc(-c2noc(n2)[C@H](CC2CC2)[C@H](N)C(F)=C2CCCC2)c(Cl)c1
Show InChI InChI=1/C21H25ClFN3O3S/c1-30(27,28)14-8-9-15(17(22)11-14)20-25-21(29-26-20)16(10-12-6-7-12)19(24)18(23)13-4-2-3-5-13/h8-9,11-12,16,19H,2-7,10,24H2,1H3/t16-,19+/s2
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n/an/a 12n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 expressed in insect cell


Bioorg Med Chem Lett 18: 2409-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.050
BindingDB Entry DOI: 10.7270/Q2HD7WJ0
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM15613
PNG
(4-chloro-N-(2-morpholin-4-ylethyl)benzamide | 4-ch...)
Show SMILES Clc1ccc(cc1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
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n/an/a 13n/an/an/an/an/an/a



Manipal College of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in bovine brain mitochondria using serotonin as substrate preincubated for 30 mins measured after 30 mins by spectrofluorimetric ...


Bioorg Med Chem Lett 25: 5281-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.048
BindingDB Entry DOI: 10.7270/Q2M90BH5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11676
PNG
((2S,3S)-3-[3-(2-chloro-4-methanesulfonylphenyl)-1,...)
Show SMILES CS(=O)(=O)c1ccc(-c2noc(n2)[C@@H](CC2CC2)[C@H]([NH3+])C(=O)N2CC[C@H](F)C2)c(Cl)c1
Show InChI InChI=1/C20H24ClFN4O4S/c1-31(28,29)13-4-5-14(16(21)9-13)18-24-19(30-25-18)15(8-11-2-3-11)17(23)20(27)26-7-6-12(22)10-26/h4-5,9,11-12,15,17H,2-3,6-8,10,23H2,1H3/p+1/t12-,15-,17-/s2
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n/an/a 13n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 expressed in insect cell


Bioorg Med Chem Lett 18: 2409-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.050
BindingDB Entry DOI: 10.7270/Q2HD7WJ0
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50092086
PNG
(CHEMBL3582433)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc2ccc(NCc3cccc(F)c3)nn12
Show InChI InChI=1S/C19H16FN5O2S/c20-15-3-1-2-13(10-15)11-22-18-8-9-19-23-12-17(25(19)24-18)14-4-6-16(7-5-14)28(21,26)27/h1-10,12H,11H2,(H,22,24)(H2,21,26,27)
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n/an/a 13n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKB (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11666
PNG
((2S,3S)-2-amino-3-[3-(2-chloro-4-methanesulfonylph...)
Show SMILES C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(cc1Cl)S(C)(=O)=O
Show InChI InChI=1/C17H21ClN4O4S/c1-10(14(19)17(23)22-7-3-4-8-22)16-20-15(21-26-16)12-6-5-11(9-13(12)18)27(2,24)25/h5-6,9-10,14H,3-4,7-8,19H2,1-2H3/t10-,14-/s2
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n/an/a 17n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 expressed in insect cell


Bioorg Med Chem Lett 18: 2409-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.050
BindingDB Entry DOI: 10.7270/Q2HD7WJ0
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50143364
PNG
(CHEMBL57657 | N*4*-Acridin-9-yl-N*1*,N*1*-diethyl-...)
Show SMILES CCCC(CCCN(CC)CC)Nc1c2ccccc2nc2ccccc12
Show InChI InChI=1/C24H33N3/c1-4-12-19(13-11-18-27(5-2)6-3)25-24-20-14-7-9-16-22(20)26-23-17-10-8-15-21(23)24/h7-10,14-17,19H,4-6,11-13,18H2,1-3H3,(H,25,26)
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards alpha2-delta subunit of a voltage gated calcium channel using [3H]-gabapentin in human brain membrane (A710 membrane)


Bioorg Med Chem Lett 14: 1913-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.087
BindingDB Entry DOI: 10.7270/Q2HQ3ZBQ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50065305
PNG
(3-[1-(4-Bromo-phenyl)-meth-(Z)-ylidene]-1,3-dihydr...)
Show SMILES Brc1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C15H10BrNO/c16-11-7-5-10(6-8-11)9-13-12-3-1-2-4-14(12)17-15(13)18/h1-9H,(H,17,18)/b13-9-
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n/an/a 18n/an/an/an/an/an/a



Manipal College of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in bovine brain mitochondria using serotonin as substrate preincubated for 30 mins measured after 30 mins by spectrofluorimetric ...


Bioorg Med Chem Lett 25: 5281-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.048
BindingDB Entry DOI: 10.7270/Q2M90BH5
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50092089
PNG
(CHEMBL3582435)
Show SMILES Fc1cccc(c1)C1COCCN1c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
Show InChI InChI=1/C23H18FN5O/c24-19-3-1-2-18(12-19)21-15-30-11-10-28(21)23-9-8-22-26-14-20(29(22)27-23)17-6-4-16(13-25)5-7-17/h1-9,12,14,21H,10-11,15H2
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n/an/a 19n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11681
PNG
((2S,3S)-4-cyclopropyl-3-[3-(2-fluoro-4-methanesulf...)
Show SMILES CS(=O)(=O)c1ccc(-c2noc(n2)[C@@H](CC2CC2)[C@H]([NH3+])C(=O)N2CC[C@H](F)C2)c(F)c1
Show InChI InChI=1/C20H24F2N4O4S/c1-31(28,29)13-4-5-14(16(22)9-13)18-24-19(30-25-18)15(8-11-2-3-11)17(23)20(27)26-7-6-12(21)10-26/h4-5,9,11-12,15,17H,2-3,6-8,10,23H2,1H3/p+1/t12-,15-,17-/s2
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n/an/a 19n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 expressed in insect cell


Bioorg Med Chem Lett 18: 2409-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.050
BindingDB Entry DOI: 10.7270/Q2HD7WJ0
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50092087
PNG
(CHEMBL3580682)
Show SMILES CN(Cc1ccccc1)c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
Show InChI InChI=1S/C21H17N5/c1-25(15-17-5-3-2-4-6-17)21-12-11-20-23-14-19(26(20)24-21)18-9-7-16(13-22)8-10-18/h2-12,14H,15H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50092090
PNG
(CHEMBL3582429)
Show SMILES Fc1cccc(CNc2ccc3ncc(-c4ccc(cc4)C#N)n3n2)c1
Show InChI InChI=1S/C20H14FN5/c21-17-3-1-2-15(10-17)12-23-19-8-9-20-24-13-18(26(20)25-19)16-6-4-14(11-22)5-7-16/h1-10,13H,12H2,(H,23,25)
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n/an/a 21n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused TRKB (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...


ACS Med Chem Lett 6: 562-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00050
BindingDB Entry DOI: 10.7270/Q2TM7CW4
More data for this
Ligand-Target Pair
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