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Compile Data Set for Download or QSAR

Found 5 hits with Last Name = 'della corte' and Initial = 'cm'   
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
Smoothened homolog


(Homo sapiens (Human))
BDBM24498
PNG
(3-(3-fluoro-4-{[2-(1-methyl-1H-imidazol-4-yl)thien...)
Show SMILES Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1
Show InChI InChI=1S/C26H20FN5O2S2/c1-32-14-20(29-15-32)23-13-19-25(36-23)22(9-10-28-19)34-21-8-7-17(12-18(21)27)30-26(35)31-24(33)11-16-5-3-2-4-6-16/h2-10,12-15H,11H2,1H3,(H2,30,31,33,35)
PDB

KEGG

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CHEMBL
MCE
PC cid
PC sid
UniChem

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Article
PubMed
42n/an/an/an/an/an/an/an/a



Oncologia Medica, Dipartimento Medico-Chirurgico di Internistica Clinica e Sperimentale"F. Magrassi e A. Lanzara", Università della Campania"Luigi Vanvitelli" , Via Pansini 6, 801

Curated by ChEMBL


Assay Description
Displacement of [3H]-cyclopamine from human wild-type SMO receptor expressed in HEK293T cell membranes by liquid scintillation spectrometry


J Med Chem 60: 7447-7458 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00794
BindingDB Entry DOI: 10.7270/Q22B91GS
More data for this
Ligand-Target Pair
Smoothened homolog


(Homo sapiens (Human))
BDBM50399540
PNG
(FORETINIB | US10464902, Foretinib | US10882853, Co...)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)
PDB

KEGG

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MCE
MMDB
PC cid
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PDB
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Article
PubMed
60n/an/an/an/an/an/an/an/a



Oncologia Medica, Dipartimento Medico-Chirurgico di Internistica Clinica e Sperimentale"F. Magrassi e A. Lanzara", Università della Campania"Luigi Vanvitelli" , Via Pansini 6, 801

Curated by ChEMBL


Assay Description
Displacement of [3H]-cyclopamine from human wild-type SMO receptor expressed in HEK293T cell membranes by liquid scintillation spectrometry


J Med Chem 60: 7447-7458 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00794
BindingDB Entry DOI: 10.7270/Q22B91GS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50399540
PNG
(FORETINIB | US10464902, Foretinib | US10882853, Co...)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)
PDB
MMDB

KEGG

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MCE
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PDB
Article
PubMed
n/an/a 7.90n/an/an/an/an/an/a



Oncologia Medica, Dipartimento Medico-Chirurgico di Internistica Clinica e Sperimentale"F. Magrassi e A. Lanzara", Università della Campania"Luigi Vanvitelli" , Via Pansini 6, 801

Curated by ChEMBL


Assay Description
Inhibition of MET (unknown origin)


J Med Chem 60: 7447-7458 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00794
BindingDB Entry DOI: 10.7270/Q22B91GS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM21079
PNG
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
MCE
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/a 690n/an/an/an/an/a



Oncologia Medica, Dipartimento Medico-Chirurgico di Internistica Clinica e Sperimentale"F. Magrassi e A. Lanzara", Università della Campania"Luigi Vanvitelli" , Via Pansini 6, 801

Curated by ChEMBL


Assay Description
Inhibition of MET (unknown origin)


J Med Chem 60: 7447-7458 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00794
BindingDB Entry DOI: 10.7270/Q22B91GS
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM6568
PNG
(6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfa...)
Show SMILES CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|
Show InChI InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 1.10E+3n/an/an/an/an/a



Oncologia Medica, Dipartimento Medico-Chirurgico di Internistica Clinica e Sperimentale"F. Magrassi e A. Lanzara", Università della Campania"Luigi Vanvitelli" , Via Pansini 6, 801

Curated by ChEMBL


Assay Description
Inhibition of MET (unknown origin)


J Med Chem 60: 7447-7458 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00794
BindingDB Entry DOI: 10.7270/Q22B91GS
More data for this
Ligand-Target Pair