BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 185 hits with Last Name = 'lep?ík' and Initial = 'm'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Pseudo-irreversible inhibition of Torpedo californica AChE using acetylthiocholine as substrate by cornish bowden plot analysis


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Serine racemase


(Mus musculus)
BDBM50038343
PNG
(CHEMBL3360546)
Show SMILES [Na+].[Na+].[O-]C(=O)C(Cl)(Cl)C([O-])=O
Show InChI InChI=1S/C3H2Cl2O4.2Na/c4-3(5,1(6)7)2(8)9;;/h(H,6,7)(H,8,9);;/q;2*+1/p-2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.90E+4n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of mouse serine racemase by Lineweaver-Burk plot


Eur J Med Chem 89: 189-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.043
BindingDB Entry DOI: 10.7270/Q22N53WK
More data for this
Ligand-Target Pair
Serine racemase


(Mus musculus)
BDBM14673
PNG
(Fragment 3 | Malonic Acid | propanedioic acid)
Show SMILES OC(=O)CC(O)=O
Show InChI InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
2.70E+4n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of mouse serine racemase by Lineweaver-Burk plot


Eur J Med Chem 89: 189-97 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.043
BindingDB Entry DOI: 10.7270/Q22N53WK
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM912
PNG
((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O
Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
Article
PubMed
n/an/a 0.490n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506541
PNG
(CHEMBL4576166)
Show SMILES CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCCCCCCCCCCNC1=O
Show InChI InChI=1S/C32H47N3O4/c1-23(2)31-32(39)33-19-13-9-7-5-3-4-6-8-10-16-29(37)34-27(28(36)22-30(38)35-31)21-24-17-18-25-14-11-12-15-26(25)20-24/h11-12,14-15,17-18,20,23,27-28,31,36H,3-10,13,16,19,21-22H2,1-2H3,(H,33,39)(H,34,37)(H,35,38)/t27-,28-,31-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50453198
PNG
(CHEMBL4212560)
Show SMILES NCCCCNc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C25H36N8O/c26-11-3-4-12-27-25-30-23(22-24(31-25)33(18-28-22)21-5-1-2-6-21)29-20-9-7-19(8-10-20)17-32-13-15-34-16-14-32/h7-10,18,21H,1-6,11-17,26H2,(H2,27,29,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,L...


J Med Chem 61: 3855-3869 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50453202
PNG
(CHEMBL4207317)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2nc(NCCCCN)nc3n(cnc23)C2CCCC2)cc1
Show InChI InChI=1S/C26H39N9/c1-2-33-15-17-34(18-16-33)21-11-9-20(10-12-21)30-24-23-25(32-26(31-24)28-14-6-5-13-27)35(19-29-23)22-7-3-4-8-22/h9-12,19,22H,2-8,13-18,27H2,1H3,(H2,28,30,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,L...


J Med Chem 61: 3855-3869 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506521
PNG
(CHEMBL4558691)
Show SMILES O[C@H]1CC(=O)N[C@@H](Cc2cccnc2)C(=O)NCCCCCCCCCCCC(=O)N[C@H]1Cc1ccccc1
Show InChI InChI=1S/C31H44N4O4/c36-28-22-30(38)35-27(21-25-16-13-18-32-23-25)31(39)33-19-12-7-5-3-1-2-4-6-11-17-29(37)34-26(28)20-24-14-9-8-10-15-24/h8-10,13-16,18,23,26-28,36H,1-7,11-12,17,19-22H2,(H,33,39)(H,34,37)(H,35,38)/t26-,27-,28-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50453197
PNG
(CHEMBL4208701)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C26H36N8O/c27-18-5-7-20(8-6-18)30-26-31-24(23-25(32-26)34(17-28-23)22-3-1-2-4-22)29-19-9-11-21(12-10-19)33-13-15-35-16-14-33/h9-12,17-18,20,22H,1-8,13-16,27H2,(H2,29,30,31,32)/t18-,20-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,L...


J Med Chem 61: 3855-3869 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50453185
PNG
(CHEMBL4203825)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cc1
Show InChI InChI=1S/C28H41N9/c1-2-35-15-17-36(18-16-35)23-13-11-21(12-14-23)31-26-25-27(37(19-30-25)24-5-3-4-6-24)34-28(33-26)32-22-9-7-20(29)8-10-22/h11-14,19-20,22,24H,2-10,15-18,29H2,1H3,(H2,31,32,33,34)/t20-,22-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) D835Y mutant expressed in Sf9 insect cells using poly (Ala,Glu...


J Med Chem 61: 3855-3869 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506530
PNG
(CHEMBL4514021)
Show SMILES CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCCCCCCCCCCCNC1=O
Show InChI InChI=1S/C28H45N3O5/c1-21(2)26-27(34)29-17-13-8-6-4-3-5-7-9-14-18-36-28(35)30-23(24(32)20-25(33)31-26)19-22-15-11-10-12-16-22/h10-12,15-16,21,23-24,26,32H,3-9,13-14,17-20H2,1-2H3,(H,29,34)(H,30,35)(H,31,33)/t23-,24-,26-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50453202
PNG
(CHEMBL4207317)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2nc(NCCCCN)nc3n(cnc23)C2CCCC2)cc1
Show InChI InChI=1S/C26H39N9/c1-2-33-15-17-34(18-16-33)21-11-9-20(10-12-21)30-24-23-25(32-26(31-24)28-14-6-5-13-27)35(19-29-23)22-7-3-4-8-22/h9-12,19,22H,2-8,13-18,27H2,1H3,(H2,28,30,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) D835Y mutant expressed in Sf9 insect cells using poly (Ala,Glu...


J Med Chem 61: 3855-3869 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50453194
PNG
(CHEMBL4204373)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C27H38N8O/c28-20-7-11-22(12-8-20)31-27-32-25(24-26(33-27)35(18-29-24)23-3-1-2-4-23)30-21-9-5-19(6-10-21)17-34-13-15-36-16-14-34/h5-6,9-10,18,20,22-23H,1-4,7-8,11-17,28H2,(H2,30,31,32,33)/t20-,22-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,L...


J Med Chem 61: 3855-3869 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50453200
PNG
(CHEMBL4210745)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)N2CCCC2)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C26H36N8/c27-18-7-9-20(10-8-18)30-26-31-24(23-25(32-26)34(17-28-23)22-5-1-2-6-22)29-19-11-13-21(14-12-19)33-15-3-4-16-33/h11-14,17-18,20,22H,1-10,15-16,27H2,(H2,29,30,31,32)/t18-,20-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,L...


J Med Chem 61: 3855-3869 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50453185
PNG
(CHEMBL4203825)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cc1
Show InChI InChI=1S/C28H41N9/c1-2-35-15-17-36(18-16-35)23-13-11-21(12-14-23)31-26-25-27(37(19-30-25)24-5-3-4-6-24)34-28(33-26)32-22-9-7-20(29)8-10-22/h11-14,19-20,22,24H,2-10,15-18,29H2,1H3,(H2,31,32,33,34)/t20-,22-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,L...


J Med Chem 61: 3855-3869 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506516
PNG
(CHEMBL4444244)
Show SMILES CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccc(F)c(F)c2)NC(=O)CCCCCCCCCCCNC1=O
Show InChI InChI=1S/C28H43F2N3O4/c1-19(2)27-28(37)31-15-11-9-7-5-3-4-6-8-10-12-25(35)32-23(24(34)18-26(36)33-27)17-20-13-14-21(29)22(30)16-20/h13-14,16,19,23-24,27,34H,3-12,15,17-18H2,1-2H3,(H,31,37)(H,32,35)(H,33,36)/t23-,24-,27-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.10n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506535
PNG
(CHEMBL4560400)
Show SMILES CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCCNC1=O
Show InChI InChI=1S/C29H47N3O4/c1-22(2)28-29(36)30-19-15-10-8-6-4-3-5-7-9-14-18-26(34)31-24(25(33)21-27(35)32-28)20-23-16-12-11-13-17-23/h11-13,16-17,22,24-25,28,33H,3-10,14-15,18-21H2,1-2H3,(H,30,36)(H,31,34)(H,32,35)/t24-,25-,28-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.5n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506522
PNG
(CHEMBL4532529)
Show SMILES CC[C@@H](C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCNC1=O
Show InChI InChI=1S/C29H47N3O4/c1-3-22(2)28-29(36)30-19-15-10-8-6-4-5-7-9-14-18-26(34)31-24(25(33)21-27(35)32-28)20-23-16-12-11-13-17-23/h11-13,16-17,22,24-25,28,33H,3-10,14-15,18-21H2,1-2H3,(H,30,36)(H,31,34)(H,32,35)/t22-,24+,25+,28+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.80n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50453192
PNG
(CHEMBL4216043)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)N2CC3(COC3)C2)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C27H36N8O/c28-18-5-7-20(8-6-18)31-26-32-24(23-25(33-26)35(17-29-23)22-3-1-2-4-22)30-19-9-11-21(12-10-19)34-13-27(14-34)15-36-16-27/h9-12,17-18,20,22H,1-8,13-16,28H2,(H2,30,31,32,33)/t18-,20-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,L...


J Med Chem 61: 3855-3869 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50453234
PNG
(CHEMBL4213717)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(nc2)N2CCOCC2)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C25H35N9O/c26-17-5-7-18(8-6-17)30-25-31-23(22-24(32-25)34(16-28-22)20-3-1-2-4-20)29-19-9-10-21(27-15-19)33-11-13-35-14-12-33/h9-10,15-18,20H,1-8,11-14,26H2,(H2,29,30,31,32)/t17-,18-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,L...


J Med Chem 61: 3855-3869 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50453195
PNG
(CHEMBL4202430)
Show SMILES NCCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C24H34N8O/c25-11-3-4-12-26-24-29-22(21-23(30-24)32(17-27-21)20-5-1-2-6-20)28-18-7-9-19(10-8-18)31-13-15-33-16-14-31/h7-10,17,20H,1-6,11-16,25H2,(H2,26,28,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,L...


J Med Chem 61: 3855-3869 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50453196
PNG
(CHEMBL4216401)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(Br)cc2)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C22H28BrN7/c23-14-5-9-16(10-6-14)26-20-19-21(30(13-25-19)18-3-1-2-4-18)29-22(28-20)27-17-11-7-15(24)8-12-17/h5-6,9-10,13,15,17-18H,1-4,7-8,11-12,24H2,(H2,26,27,28,29)/t15-,17-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) D835Y mutant expressed in Sf9 insect cells using poly (Ala,Glu...


J Med Chem 61: 3855-3869 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50453196
PNG
(CHEMBL4216401)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(Br)cc2)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C22H28BrN7/c23-14-5-9-16(10-6-14)26-20-19-21(30(13-25-19)18-3-1-2-4-18)29-22(28-20)27-17-11-7-15(24)8-12-17/h5-6,9-10,13,15,17-18H,1-4,7-8,11-12,24H2,(H2,26,27,28,29)/t15-,17-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,L...


J Med Chem 61: 3855-3869 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506517
PNG
(CHEMBL4569563)
Show SMILES CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)CCCCCCCCCCCNC1=O
Show InChI InChI=1S/C28H43Cl2N3O4/c1-19(2)27-28(37)31-15-11-9-7-5-3-4-6-8-10-12-25(35)32-23(24(34)18-26(36)33-27)17-20-13-14-21(29)22(30)16-20/h13-14,16,19,23-24,27,34H,3-12,15,17-18H2,1-2H3,(H,31,37)(H,32,35)(H,33,36)/t23-,24-,27-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.20n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506518
PNG
(CHEMBL4551750)
Show SMILES CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccc(F)cc2)NC(=O)CCCCCCCCCCCNC1=O
Show InChI InChI=1S/C28H44FN3O4/c1-20(2)27-28(36)30-17-11-9-7-5-3-4-6-8-10-12-25(34)31-23(24(33)19-26(35)32-27)18-21-13-15-22(29)16-14-21/h13-16,20,23-24,27,33H,3-12,17-19H2,1-2H3,(H,30,36)(H,31,34)(H,32,35)/t23-,24-,27-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.70n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50453235
PNG
(CHEMBL4207535)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(Cl)cc2)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C22H28ClN7/c23-14-5-9-16(10-6-14)26-20-19-21(30(13-25-19)18-3-1-2-4-18)29-22(28-20)27-17-11-7-15(24)8-12-17/h5-6,9-10,13,15,17-18H,1-4,7-8,11-12,24H2,(H2,26,27,28,29)/t15-,17-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,L...


J Med Chem 61: 3855-3869 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50453193
PNG
(CHEMBL4213103)
Show SMILES NCCCCCNc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C26H38N8O/c27-12-4-1-5-13-28-26-31-24(23-25(32-26)34(19-29-23)22-6-2-3-7-22)30-21-10-8-20(9-11-21)18-33-14-16-35-17-15-33/h8-11,19,22H,1-7,12-18,27H2,(H2,28,30,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,L...


J Med Chem 61: 3855-3869 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50453198
PNG
(CHEMBL4212560)
Show SMILES NCCCCNc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C25H36N8O/c26-11-3-4-12-27-25-30-23(22-24(31-25)33(18-28-22)21-5-1-2-6-21)29-20-9-7-19(8-10-20)17-32-13-15-34-16-14-32/h7-10,18,21H,1-6,11-17,26H2,(H2,27,29,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) D835Y mutant expressed in Sf9 insect cells using poly (Ala,Glu...


J Med Chem 61: 3855-3869 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506514
PNG
(CHEMBL4576319)
Show SMILES CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCNC1=O
Show InChI InChI=1S/C28H45N3O4/c1-21(2)27-28(35)29-18-14-9-7-5-3-4-6-8-13-17-25(33)30-23(24(32)20-26(34)31-27)19-22-15-11-10-12-16-22/h10-12,15-16,21,23-24,27,32H,3-9,13-14,17-20H2,1-2H3,(H,29,35)(H,30,33)(H,31,34)/t23-,24-,27-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 5.80n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50453198
PNG
(CHEMBL4212560)
Show SMILES NCCCCNc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C25H36N8O/c26-11-3-4-12-27-25-30-23(22-24(31-25)33(18-28-22)21-5-1-2-6-21)29-20-9-7-19(8-10-20)17-32-13-15-34-16-14-32/h7-10,18,21H,1-6,11-17,26H2,(H2,27,29,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST/His6-fused recombinant wild type human FLT3 (R571 to S993 residues) expressed in Sf9 insect cells using poly (Ala,Glu,Ly...


J Med Chem 61: 3855-3869 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50453230
PNG
(CHEMBL4217517)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)N2CCN(Cc3ccccc3)CC2)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C33H43N9/c34-25-10-12-27(13-11-25)37-33-38-31(30-32(39-33)42(23-35-30)29-8-4-5-9-29)36-26-14-16-28(17-15-26)41-20-18-40(19-21-41)22-24-6-2-1-3-7-24/h1-3,6-7,14-17,23,25,27,29H,4-5,8-13,18-22,34H2,(H2,36,37,38,39)/t25-,27-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,L...


J Med Chem 61: 3855-3869 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50453197
PNG
(CHEMBL4208701)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C26H36N8O/c27-18-5-7-20(8-6-18)30-26-31-24(23-25(32-26)34(17-28-23)22-3-1-2-4-22)29-19-9-11-21(12-10-19)33-13-15-35-16-14-33/h9-12,17-18,20,22H,1-8,13-16,27H2,(H2,29,30,31,32)/t18-,20-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) D835Y mutant expressed in Sf9 insect cells using poly (Ala,Glu...


J Med Chem 61: 3855-3869 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50453195
PNG
(CHEMBL4202430)
Show SMILES NCCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C24H34N8O/c25-11-3-4-12-26-24-29-22(21-23(30-24)32(17-27-21)20-5-1-2-6-20)28-18-7-9-19(10-8-18)31-13-15-33-16-14-31/h7-10,17,20H,1-6,11-16,25H2,(H2,26,28,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) D835Y mutant expressed in Sf9 insect cells using poly (Ala,Glu...


J Med Chem 61: 3855-3869 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50453194
PNG
(CHEMBL4204373)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C27H38N8O/c28-20-7-11-22(12-8-20)31-27-32-25(24-26(33-27)35(18-29-24)23-3-1-2-4-23)30-21-9-5-19(6-10-21)17-34-13-15-36-16-14-34/h5-6,9-10,18,20,22-23H,1-4,7-8,11-17,28H2,(H2,30,31,32,33)/t20-,22-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) D835Y mutant expressed in Sf9 insect cells using poly (Ala,Glu...


J Med Chem 61: 3855-3869 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506532
PNG
(CHEMBL4561907)
Show SMILES O[C@H]1CC(=O)N[C@@H](C2CCCCC2)C(=O)NCCCCCCCCCCCC(=O)N[C@H]1Cc1ccccc1
Show InChI InChI=1S/C31H49N3O4/c35-27-23-29(37)34-30(25-18-12-9-13-19-25)31(38)32-21-15-7-5-3-1-2-4-6-14-20-28(36)33-26(27)22-24-16-10-8-11-17-24/h8,10-11,16-17,25-27,30,35H,1-7,9,12-15,18-23H2,(H,32,38)(H,33,36)(H,34,37)/t26-,27-,30-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.20n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506539
PNG
(CHEMBL4583528)
Show SMILES CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](CC2CCCCC2)NC(=O)CCCCCCCCCCCNC1=O
Show InChI InChI=1S/C28H51N3O4/c1-21(2)27-28(35)29-18-14-9-7-5-3-4-6-8-13-17-25(33)30-23(24(32)20-26(34)31-27)19-22-15-11-10-12-16-22/h21-24,27,32H,3-20H2,1-2H3,(H,29,35)(H,30,33)(H,31,34)/t23-,24-,27-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50453205
PNG
(CHEMBL4218371)
Show SMILES CC(C)n1cnc2c(Nc3ccc(Br)cc3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C20H26BrN7/c1-12(2)28-11-23-17-18(24-15-7-3-13(21)4-8-15)26-20(27-19(17)28)25-16-9-5-14(22)6-10-16/h3-4,7-8,11-12,14,16H,5-6,9-10,22H2,1-2H3,(H2,24,25,26,27)/t14-,16-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,L...


J Med Chem 61: 3855-3869 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50453185
PNG
(CHEMBL4203825)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C2CCCC2)cc1
Show InChI InChI=1S/C28H41N9/c1-2-35-15-17-36(18-16-35)23-13-11-21(12-14-23)31-26-25-27(37(19-30-25)24-5-3-4-6-24)34-28(33-26)32-22-9-7-20(29)8-10-22/h11-14,19-20,22,24H,2-10,15-18,29H2,1H3,(H2,31,32,33,34)/t20-,22-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST/His6-fused recombinant wild type human FLT3 (R571 to S993 residues) expressed in Sf9 insect cells using poly (Ala,Glu,Ly...


J Med Chem 61: 3855-3869 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50300690
PNG
(1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,L...


J Med Chem 61: 3855-3869 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50453201
PNG
(CHEMBL4208187)
Show SMILES NCCCCCCNc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C27H40N8O/c28-13-5-1-2-6-14-29-27-32-25(24-26(33-27)35(20-30-24)23-7-3-4-8-23)31-22-11-9-21(10-12-22)19-34-15-17-36-18-16-34/h9-12,20,23H,1-8,13-19,28H2,(H2,29,31,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) ITD mutant expressed in Sf9 insect cells using poly (Ala,Glu,L...


J Med Chem 61: 3855-3869 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506508
PNG
(CHEMBL4452510)
Show SMILES CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCCCNC1=O
Show InChI InChI=1S/C30H49N3O4/c1-23(2)29-30(37)31-20-16-11-9-7-5-3-4-6-8-10-15-19-27(35)32-25(26(34)22-28(36)33-29)21-24-17-13-12-14-18-24/h12-14,17-18,23,25-26,29,34H,3-11,15-16,19-22H2,1-2H3,(H,31,37)(H,32,35)(H,33,36)/t25-,26-,29-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50453200
PNG
(CHEMBL4210745)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)N2CCCC2)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C26H36N8/c27-18-7-9-20(10-8-18)30-26-31-24(23-25(32-26)34(17-28-23)22-5-1-2-6-22)29-19-11-13-21(14-12-19)33-15-3-4-16-33/h11-14,17-18,20,22H,1-10,15-16,27H2,(H2,29,30,31,32)/t18-,20-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST/His6-fused recombinant human FLT3 (R571 to S993 residues) D835Y mutant expressed in Sf9 insect cells using poly (Ala,Glu...


J Med Chem 61: 3855-3869 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50453202
PNG
(CHEMBL4207317)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2nc(NCCCCN)nc3n(cnc23)C2CCCC2)cc1
Show InChI InChI=1S/C26H39N9/c1-2-33-15-17-34(18-16-33)21-11-9-20(10-12-21)30-24-23-25(32-26(31-24)28-14-6-5-13-27)35(19-29-23)22-7-3-4-8-22/h9-12,19,22H,2-8,13-18,27H2,1H3,(H2,28,30,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST/His6-fused recombinant wild type human FLT3 (R571 to S993 residues) expressed in Sf9 insect cells using poly (Ala,Glu,Ly...


J Med Chem 61: 3855-3869 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50453194
PNG
(CHEMBL4204373)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C27H38N8O/c28-20-7-11-22(12-8-20)31-27-32-25(24-26(33-27)35(18-29-24)23-3-1-2-4-23)30-21-9-5-19(6-10-21)17-34-13-15-36-16-14-34/h5-6,9-10,18,20,22-23H,1-4,7-8,11-17,28H2,(H2,30,31,32,33)/t20-,22-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST/His6-fused recombinant wild type human FLT3 (R571 to S993 residues) expressed in Sf9 insect cells using poly (Ala,Glu,Ly...


J Med Chem 61: 3855-3869 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50453192
PNG
(CHEMBL4216043)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)N2CC3(COC3)C2)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C27H36N8O/c28-18-5-7-20(8-6-18)31-26-32-24(23-25(33-26)35(17-29-23)22-3-1-2-4-22)30-19-9-11-21(12-10-19)34-13-27(14-34)15-36-16-27/h9-12,17-18,20,22H,1-8,13-16,28H2,(H2,30,31,32,33)/t18-,20-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST/His6-fused recombinant wild type human FLT3 (R571 to S993 residues) expressed in Sf9 insect cells using poly (Ala,Glu,Ly...


J Med Chem 61: 3855-3869 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50233206
PNG
(CHEMBL4059895)
Show SMILES NC(=O)c1ccc(c(O)c1)-c1ccc(cc1)-c1cc(NCc2cccnc2)n2ncc(Br)c2n1
Show InChI InChI=1S/C25H19BrN6O2/c26-20-14-30-32-23(29-13-15-2-1-9-28-12-15)11-21(31-25(20)32)17-5-3-16(4-6-17)19-8-7-18(24(27)34)10-22(19)33/h1-12,14,29,33H,13H2,(H2,27,34)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Masaryk University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Eur J Med Chem 126: 1118-1128 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.023
BindingDB Entry DOI: 10.7270/Q29C70PT
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506529
PNG
(CHEMBL4474088)
Show SMILES O[C@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCCCCCCCCCC(=O)N[C@H]1Cc1ccccc1
Show InChI InChI=1S/C32H45N3O4/c36-29-24-31(38)35-28(23-26-18-12-9-13-19-26)32(39)33-21-15-7-5-3-1-2-4-6-14-20-30(37)34-27(29)22-25-16-10-8-11-17-25/h8-13,16-19,27-29,36H,1-7,14-15,20-24H2,(H,33,39)(H,34,37)(H,35,38)/t27-,28-,29-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50453196
PNG
(CHEMBL4216401)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(Br)cc2)c2ncn(C3CCCC3)c2n1
Show InChI InChI=1S/C22H28BrN7/c23-14-5-9-16(10-6-14)26-20-19-21(30(13-25-19)18-3-1-2-4-18)29-22(28-20)27-17-11-7-15(24)8-12-17/h5-6,9-10,13,15,17-18H,1-4,7-8,11-12,24H2,(H2,26,27,28,29)/t15-,17-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST/His6-fused recombinant wild type human FLT3 (R571 to S993 residues) expressed in Sf9 insect cells using poly (Ala,Glu,Ly...


J Med Chem 61: 3855-3869 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01529
BindingDB Entry DOI: 10.7270/Q2JH3PR1
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50506523
PNG
(CHEMBL4455874)
Show SMILES CC(=O)NCCCC[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCNC1=O
Show InChI InChI=1S/C31H50N4O5/c1-24(36)32-20-15-13-18-26-31(40)33-21-14-8-6-4-2-3-5-7-12-19-29(38)35-27(28(37)23-30(39)34-26)22-25-16-10-9-11-17-25/h9-11,16-17,26-28,37H,2-8,12-15,18-23H2,1H3,(H,32,36)(H,33,40)(H,34,39)(H,35,38)/t26-,27-,28-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Czech Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...


J Med Chem 63: 1576-1596 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01351
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50233212
PNG
(CHEMBL4076762)
Show SMILES CCc1cnn2c(NCc3cccnc3)cc(nc12)-c1ccc(cc1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C27H24N6O/c1-2-19-17-31-33-25(30-16-18-4-3-13-29-15-18)14-24(32-27(19)33)22-9-5-20(6-10-22)21-7-11-23(12-8-21)26(28)34/h3-15,17,30H,2,16H2,1H3,(H2,28,34)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Masaryk University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Eur J Med Chem 126: 1118-1128 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.023
BindingDB Entry DOI: 10.7270/Q29C70PT
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 185 total )  |  Next  |  Last  >>
Jump to: