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Compile Data Set for Download or QSAR

Found 2224 hits with Last Name = 'wu' and Initial = 'mh'   
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
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM21973
PNG
(1-Methyltryptophan, 1 | 2-amino-3-(1-methyl-1H-ind...)
Show SMILES Cn1cc(CC(N)C(O)=O)c2ccccc12
Show InChI InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)
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3.40E+4n/an/an/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO using L-tryptophan as substrate


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50519725
PNG
(CHEMBL4513768)
Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1
Show InChI InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24)
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n/an/a 0.100n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type FLT3 (unknown origin) expressed in HEK293T cells assessed as decrease in FLT3 phosphorylation at 0.1 to 1000 nM after 1 hr by...


J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
BindingDB Entry DOI: 10.7270/Q2BV7M1W
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50519725
PNG
(CHEMBL4513768)
Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1
Show InChI InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24)
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n/an/a 0.100n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type FLT3 ITD mutant (unknown origin) expressed in HEK293T cells assessed as decrease in FLT3 ITD phosphorylation at 0.1 to 1000 n...


J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
BindingDB Entry DOI: 10.7270/Q2BV7M1W
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50519725
PNG
(CHEMBL4513768)
Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1
Show InChI InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24)
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n/an/a 0.100n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of wild type FLT3 D835Y mutant (unknown origin) expressed in HEK293T cells assessed as decrease in FLT3 D835Y phosphorylation at 0.1 to 10...


J Med Chem 62: 11135-11150 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01229
BindingDB Entry DOI: 10.7270/Q2BV7M1W
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide


(Homo sapiens (Human))
BDBM571467
PNG
((+)-4-chloro-15-(2-hydroxyethyl)-2,3-dimethyl-7-{3...)
Show SMILES Cc1c-2c(nn1C)C(CCO)OCCCCn1c(C(O)=O)c(CCCOc3cccc4ccccc34)c3ccc(Cl)c-2c13
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n/an/a 0.260n/an/an/an/an/an/a


TBA

Assay Description
The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2J38WT5
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-329]/Phorbol-Phorbol-12-myristate-13-acetate-induced protein 1 [26-43]


(Homo sapiens (Human))
BDBM562371
PNG
((rac)-2,3,14-trimethyl-15-[2-(rac)-(morpholin-4-yl...)
Show SMILES CN1C(CCN2CCOCC2)c2nn(C)c(C)c2-c2cccc3c(CCCOc4cccc5ccccc45)c(C(O)=O)n(CCCS1(=O)=O)c23
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n/an/a 0.310n/an/an/an/an/an/a


TBA

Assay Description
MCL-1/Noxa BH3 Peptide (MCL-1 Assay): From there, 50 nl were transferred in a dark test plate (Greiner Bio-One, Frickenhausen, Germany). The assay wa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2930XCJ
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide


(Homo sapiens (Human))
BDBM571478
PNG
((+)-4-chloro-3-ethyl-7-{3-[(6-fluoronaphthalen-1-y...)
Show SMILES CCc1c-2c(nn1C)C(CCOC)OCCCCn1c(C(O)=O)c(CCCOc3cccc4cc(F)ccc34)c3ccc(Cl)c-2c13
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n/an/a 0.330n/an/an/an/an/an/a


TBA

Assay Description
The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2J38WT5
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-329]/Phorbol-Phorbol-12-myristate-13-acetate-induced protein 1 [26-43]


(Homo sapiens (Human))
BDBM562401
PNG
(4-chloro-3-ethyl-7-{3-[(6-fluoronaphthalen-1-yl)ox...)
Show SMILES CCc1c-2c(nn1C)C(CCN1CCOCC1)N(C)S(=O)CCCn1c(C(O)=O)c(CCCOc3cccc4cc(F)ccc34)c3ccc(Cl)c-2c13
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n/an/a 0.340n/an/an/an/an/an/a


TBA

Assay Description
MCL-1/Noxa BH3 Peptide (MCL-1 Assay): From there, 50 nl were transferred in a dark test plate (Greiner Bio-One, Frickenhausen, Germany). The assay wa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2930XCJ
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-329]/Phorbol-Phorbol-12-myristate-13-acetate-induced protein 1 [26-43]


(Homo sapiens (Human))
BDBM562369
PNG
((−)-4-chloro-14-cyclopropyl-7-{3-[(6-fluoro-...)
Show SMILES Cc1c-2c(CN(C3CC3)S(=O)(=O)CCCn3c(C(O)=O)c(CCCOc4cccc5cc(F)ccc45)c4ccc(Cl)c-2c34)nn1C
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TBA

Assay Description
MCL-1/Noxa BH3 Peptide (MCL-1 Assay): From there, 50 nl were transferred in a dark test plate (Greiner Bio-One, Frickenhausen, Germany). The assay wa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2930XCJ
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50241089
PNG
(2-(ethyl(3-(4-(5-(2-(3-fluorophenylamino)-2-oxoeth...)
Show SMILES CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1)CCOP(O)(O)=O
Show InChI InChI=1S/C26H31FN7O6P/c1-2-34(10-12-40-41(36,37)38)9-4-11-39-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(35)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17H,2,4,9-12,15H2,1H3,(H,30,35)(H2,36,37,38)(H2,28,29,31,32,33)
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TBA

Assay Description
Inhibition of recombinant GST-tagged N-terminal truncated human Aurora A (123 to 401 residues) expressed in Sf9 insect cell using tetra-LRRASLG pepti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01806
BindingDB Entry DOI: 10.7270/Q2Q2444S
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide


(Homo sapiens (Human))
BDBM571511
PNG
((+)-4-chloro-3-ethyl-7-{3-[(6-fluoronaphthalen-1-y...)
Show SMILES CCc1c-2c(nn1C)C(CCC(C)(C)O)OCCCCn1c(C(O)=O)c(CCCOc3cccc4cc(F)ccc34)c3ccc(Cl)c-2c13
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n/an/a 0.370n/an/an/an/an/an/a


TBA

Assay Description
The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2J38WT5
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide


(Homo sapiens (Human))
BDBM571483
PNG
((+)-4-chloro-3-ethyl-7-{3-[(6-fluoronaphthalen-1-y...)
Show SMILES CCc1c-2c(nn1C)[C@@H](CCN1CCOCC1)OCCCCn1c(C(O)=O)c(CCCOc3cccc4cc(F)ccc34)c3ccc(Cl)c-2c13 |r|
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TBA

Assay Description
The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2J38WT5
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide


(Homo sapiens (Human))
BDBM571480
PNG
((rac)-4-chloro-3-ethyl-7-{3-[(6-fluoronaphthalen-1...)
Show SMILES CCc1c-2c(nn1C)C(CCO)OCCCCn1c(C(O)=O)c(CCCOc3cccc4cc(F)ccc34)c3ccc(Cl)c-2c13
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n/an/a 0.390n/an/an/an/an/an/a


TBA

Assay Description
The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2J38WT5
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-329]/Phorbol-Phorbol-12-myristate-13-acetate-induced protein 1 [26-43]


(Homo sapiens (Human))
BDBM562377
PNG
((rac)-4-chloro-7-{3-[(6-fluoro-1-naphthyl)oxy]prop...)
Show SMILES CN1C(CCN2CCOCC2)c2nn(C)c(C)c2-c2c(Cl)ccc3c(CCCOc4cccc5cc(F)ccc45)c(C(O)=O)n(CCCS1(=O)=O)c23
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n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
MCL-1/Noxa BH3 Peptide (MCL-1 Assay): From there, 50 nl were transferred in a dark test plate (Greiner Bio-One, Frickenhausen, Germany). The assay wa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2930XCJ
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide


(Homo sapiens (Human))
BDBM571489
PNG
((+)-4-chloro-3-ethyl-7-{3-[(6-fluoronaphthalen-1-y...)
Show SMILES CCc1c-2c(nn1C)C(CC(C)(C)O)OCCCCn1c(C(O)=O)c(CCCOc3cccc4cc(F)ccc34)c3ccc(Cl)c-2c13
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n/an/a 0.410n/an/an/an/an/an/a


TBA

Assay Description
The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2J38WT5
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide


(Homo sapiens (Human))
BDBM571514
PNG
((+)-4-chloro-15-[2-(3,3-difluoroazetidin-1-yl)ethy...)
Show SMILES CCc1c-2c(nn1C)C(CCN1CC(F)(F)C1)OCCCCn1c(C(O)=O)c(CCCOc3cccc4cc(F)ccc34)c3ccc(Cl)c-2c13
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n/an/a 0.420n/an/an/an/an/an/a


TBA

Assay Description
The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2J38WT5
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide


(Homo sapiens (Human))
BDBM572169
PNG
((rac)-4-chloro-3-ethyl-2,14-dimethyl-7-[3-(naphtha...)
Show SMILES CCc1c-2c(CN(C)CCCCn3c(C(O)=O)c(CCCOc4cccc5ccccc45)c4ccc(Cl)c-2c34)nn1C
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n/an/a 0.450n/an/an/an/an/an/a


TBA

Assay Description
The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2057K58
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM544485
PNG
((rac)-12-ethyl-13-fluoro-1-(3-((6-fluoronaphthalen...)
Show SMILES CCc1c-2c(COCCCCn3c(C(O)=O)c(CCCOc4cccc5cc(F)ccc45)c4ccc(F)c-2c34)nn1C
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n/an/a 0.450n/an/an/an/an/an/a


TBA

Assay Description
MCL-1 Assay: In the assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1....


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MWD
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide


(Homo sapiens (Human))
BDBM571525
PNG
((+)-4-chloro-3-ethyl-12,12-difluoro-7-{3-[(6-fluor...)
Show SMILES CCc1c-2c(nn1C)C(CCN1CCOCC1)OCC(F)(F)CCn1c(C(O)=O)c(CCCOc3cccc4cc(F)ccc34)c3ccc(Cl)c-2c13
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n/an/a 0.460n/an/an/an/an/an/a


TBA

Assay Description
The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2J38WT5
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide


(Homo sapiens (Human))
BDBM571497
PNG
(4-chloro-3-ethyl-7-{3-[(6-fluoronaphthalen-1-yl)ox...)
Show SMILES CCc1c-2c(nn1C)C(CCC1CCOCC1)OCCCCn1c(C(O)=O)c(CCCOc3cccc4cc(F)ccc34)c3ccc(Cl)c-2c13
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TBA

Assay Description
The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2J38WT5
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide


(Homo sapiens (Human))
BDBM572155
PNG
((rac)-4-chloro-3-ethyl-1-[2-(morpholin-4-yl)ethyl]...)
Show SMILES Cc1nn(CCN2CCOCC2)c2COCCCCn3c(C(O)=O)c(CCCOc4cccc5ccccc45)c4ccc(Cl)c(-c12)c34
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n/an/a 0.470n/an/an/an/an/an/a


TBA

Assay Description
The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2057K58
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-329]/Phorbol-Phorbol-12-myristate-13-acetate-induced protein 1 [26-43]


(Homo sapiens (Human))
BDBM562386
PNG
((+)-4-chloro-3,14-diethyl-7-{3-[(6-fluoronaphthale...)
Show SMILES CCN1Cc2nn(C)c(CC)c2-c2c(Cl)ccc3c(CCCOc4cccc5cc(F)ccc45)c(C(O)=O)n(CCCS1(=O)=O)c23
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n/an/a 0.480n/an/an/an/an/an/a


TBA

Assay Description
MCL-1/Noxa BH3 Peptide (MCL-1 Assay): From there, 50 nl were transferred in a dark test plate (Greiner Bio-One, Frickenhausen, Germany). The assay wa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2930XCJ
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide


(Homo sapiens (Human))
BDBM571486
PNG
((+)-3-ethyl-4-fluoro-7-{3-[(6-fluoronaphthalen-1-y...)
Show SMILES CCc1c-2c(nn1C)C(CCN1CCOCC1)OCCCCn1c(C(O)=O)c(CCCOc3cccc4cc(F)ccc34)c3ccc(F)c-2c13
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Assay Description
The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2J38WT5
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide


(Homo sapiens (Human))
BDBM571473
PNG
((rac)-4-chloro-(15-rac)-(2-methoxyethyl)-2,3-dimet...)
Show SMILES COCCC1OCCCCn2c(C(O)=O)c(CCCOc3cccc4ccccc34)c3ccc(Cl)c(-c4c(C)n(C)nc14)c23
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TBA

Assay Description
The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2J38WT5
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide


(Homo sapiens (Human))
BDBM572162
PNG
((+)-4-chloro-7-{3-[(6-fluoronaphthalen-1-yl)oxy]pr...)
Show SMILES Cc1[nH]nc2COCCCCn3c(C(O)=O)c(CCCOc4cccc5cc(F)ccc45)c4ccc(Cl)c(-c12)c34
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TBA

Assay Description
The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2057K58
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))
BDBM134505
PNG
(US8846656, 21-D)
Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1c(C)cccc1C |r|
Show InChI InChI=1S/C32H42N4O/c1-20(2)25-12-11-21(3)29(18-25)35-15-14-28-27(19-35)32(36-16-13-26(37-7)17-24(36)6)34-31(33-28)30-22(4)9-8-10-23(30)5/h8-12,18,20,24,26H,13-17,19H2,1-7H3/t24-,26-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))
BDBM134531
PNG
(US8846656, 23-I)
Show SMILES CO[C@@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1cc(nn1C)C1CC1)-c1c(C)ccc2[nH]nc(C)c12 |r|
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...


US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-329]/Phorbol-Phorbol-12-myristate-13-acetate-induced protein 1 [26-43]


(Homo sapiens (Human))
BDBM562331
PNG
((rac)-4-Chloro-2,3,14-trimethyl-7-{3-[(naphthalen-...)
Show SMILES CN1Cc2nn(C)c(C)c2-c2c(Cl)ccc3c(CCCOc4cccc5ccccc45)c(C(O)=O)n(CCCS1(=O)=O)c23
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TBA

Assay Description
MCL-1/Noxa BH3 Peptide (MCL-1 Assay): From there, 50 nl were transferred in a dark test plate (Greiner Bio-One, Frickenhausen, Germany). The assay wa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2930XCJ
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide


(Homo sapiens (Human))
BDBM572159
PNG
((+)-4-chloro-2,3,14-trimethyl-7-[3-(naphthalen-1-y...)
Show SMILES CN1CCCCn2c(C(O)=O)c(CCCOc3cccc4ccccc34)c3ccc(Cl)c(-c4c(C)n(C)nc4C1)c23
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TBA

Assay Description
The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2057K58
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide


(Homo sapiens (Human))
BDBM571477
PNG
((rac)-4-chloro-3-ethyl-7-{3-[(6-fluoronaphthalen-1...)
Show SMILES CCc1c-2c(nn1C)C(CCOC)OCCCCn1c(C(O)=O)c(CCCOc3cccc4cc(F)ccc34)c3ccc(Cl)c-2c13
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TBA

Assay Description
The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2J38WT5
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide


(Homo sapiens (Human))
BDBM571449
PNG
((rac)-4-chloro-2,3-dimethyl-15-[2-(morpholin-4-yl)...)
Show SMILES Cc1c-2c(nn1C)C(CCN1CCOCC1)OCCCCn1c(C(O)=O)c(CCCOc3cccc4ccccc34)c3ccc(Cl)c-2c13
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TBA

Assay Description
The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2J38WT5
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide


(Homo sapiens (Human))
BDBM571522
PNG
((+)-4-chloro-3-ethyl-12,12-difluoro-7-{3-[(6-fluor...)
Show SMILES CCc1c-2c(nn1C)C(CCN1CCOCC1)OCC(F)(F)CCn1c(C(O)=O)c(CCCOc3cccc4cc(F)ccc34)c3ccc(Cl)c-2c13
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TBA

Assay Description
The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2J38WT5
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide


(Homo sapiens (Human))
BDBM571446
PNG
((rac)-3-ethyl-4-fluoro-2-methyl-15-[2-(morpholin-4...)
Show SMILES CCc1c-2c(nn1C)C(CCN1CCOCC1)OCCCCn1c(C(O)=O)c(CCCOc3cccc4ccccc34)c3ccc(F)c-2c13
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TBA

Assay Description
The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2J38WT5
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide


(Homo sapiens (Human))
BDBM571502
PNG
((+)-4-chloro-3-ethyl-7-{3-[(6-fluoronaphthalen-1-y...)
Show SMILES CCc1c-2c(nn1C)C(CCCN1CCOCC1)OCCCCn1c(C(O)=O)c(CCCOc3cccc4cc(F)ccc34)c3ccc(Cl)c-2c13
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TBA

Assay Description
The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2J38WT5
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide


(Homo sapiens (Human))
BDBM571481
PNG
((+)-4-chloro-3-ethyl-7-{3-[(6-fluoronaphthalen-1-y...)
Show SMILES CCc1c-2c(nn1C)C(CCO)OCCCCn1c(C(O)=O)c(CCCOc3cccc4cc(F)ccc34)c3ccc(Cl)c-2c13
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TBA

Assay Description
The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2J38WT5
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide


(Homo sapiens (Human))
BDBM571443
PNG
((rac)-4-fluoro-2,3-dimethyl-15-[2-(morpholin-4-yl)...)
Show SMILES Cc1c-2c(nn1C)C(CCN1CCOCC1)OCCCCn1c(C(O)=O)c(CCCOc3cccc4ccccc34)c3ccc(F)c-2c13
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TBA

Assay Description
The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2J38WT5
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM544485
PNG
((rac)-12-ethyl-13-fluoro-1-(3-((6-fluoronaphthalen...)
Show SMILES CCc1c-2c(COCCCCn3c(C(O)=O)c(CCCOc4cccc5cc(F)ccc45)c4ccc(F)c-2c34)nn1C
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TBA

Assay Description
MCL-1 Assay: In the assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1....


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WW7MWD
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-329]/Phorbol-Phorbol-12-myristate-13-acetate-induced protein 1 [26-43]


(Homo sapiens (Human))
BDBM562401
PNG
(4-chloro-3-ethyl-7-{3-[(6-fluoronaphthalen-1-yl)ox...)
Show SMILES CCc1c-2c(nn1C)C(CCN1CCOCC1)N(C)S(=O)CCCn1c(C(O)=O)c(CCCOc3cccc4cc(F)ccc34)c3ccc(Cl)c-2c13
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n/an/a 0.590n/an/an/an/an/an/a


TBA

Assay Description
MCL-1/Noxa BH3 Peptide (MCL-1 Assay): From there, 50 nl were transferred in a dark test plate (Greiner Bio-One, Frickenhausen, Germany). The assay wa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2930XCJ
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide


(Homo sapiens (Human))
BDBM572181
PNG
((+)-4-chloro-3-ethyl-7-{3-[(6-fluoronaphthalen-1-y...)
Show SMILES CCc1nn(C)c2COCCCCn3c(C(O)=O)c(CCCOc4cccc5cc(F)ccc45)c4ccc(Cl)c(-c12)c34
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TBA

Assay Description
The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2057K58
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide


(Homo sapiens (Human))
BDBM572166
PNG
((rac)-4-chloro-3-ethyl-2-methyl-7-[3-(naphthalen-1...)
Show SMILES CCc1c-2c(COCCCCn3c(C(O)=O)c(CCCOc4cccc5ccccc45)c4ccc(Cl)c-2c34)nn1C
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TBA

Assay Description
The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2057K58
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide


(Homo sapiens (Human))
BDBM571528
PNG
((rac)-4-chloro-3-ethyl-7-{3-[(6-fluoro-1-naphthyl)...)
Show SMILES CCc1c-2c(nn1C)C(CCN1CCOCC1)N(C)CCCCn1c(C(O)=O)c(CCCOc3cccc4cc(F)ccc34)c3ccc(Cl)c-2c13
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TBA

Assay Description
The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2J38WT5
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide


(Homo sapiens (Human))
BDBM572152
PNG
((rac)-4-chloro-3-ethyl-7-{3-[(6-fluoronaphthalen-1...)
Show SMILES CCc1c-2c(CN(C)CCCCn3c(C(O)=O)c(CCCOc4cccc5cc(F)ccc45)c4ccc(Cl)c-2c34)nn1C
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TBA

Assay Description
The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2057K58
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-329]/Phorbol-Phorbol-12-myristate-13-acetate-induced protein 1 [26-43]


(Homo sapiens (Human))
BDBM562363
PNG
((+)-4-chloro-3-ethyl-7-{3-[(6-fluoronaphthalen-1-y...)
Show SMILES CCc1c-2c(CN(C)S(=O)(=O)CCCn3c(C(O)=O)c(CCCOc4cccc5cc(F)ccc45)c4ccc(Cl)c-2c34)nn1C
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TBA

Assay Description
MCL-1/Noxa BH3 Peptide (MCL-1 Assay): From there, 50 nl were transferred in a dark test plate (Greiner Bio-One, Frickenhausen, Germany). The assay wa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2930XCJ
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide


(Homo sapiens (Human))
BDBM571459
PNG
((+)-4-chloro-3-ethyl-7-{3-[(6-fluoronaphthalen-1-y...)
Show SMILES CCc1c-2c(nn1C)C(CCN1CCOCC1)OCCCCn1c(C(O)=O)c(CCCOc3cccc4cc(F)ccc34)c3ccc(Cl)c-2c13
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TBA

Assay Description
The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2J38WT5
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide


(Homo sapiens (Human))
BDBM571528
PNG
((rac)-4-chloro-3-ethyl-7-{3-[(6-fluoro-1-naphthyl)...)
Show SMILES CCc1c-2c(nn1C)C(CCN1CCOCC1)N(C)CCCCn1c(C(O)=O)c(CCCOc3cccc4cc(F)ccc34)c3ccc(Cl)c-2c13
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TBA

Assay Description
The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2J38WT5
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-329]/Phorbol-Phorbol-12-myristate-13-acetate-induced protein 1 [26-43]


(Homo sapiens (Human))
BDBM562383
PNG
((+)-4-chloro-14-cyclopropyl-3-ethyl-7-{3-[(6-fluor...)
Show SMILES CCc1c-2c(CN(C3CC3)S(=O)(=O)CCCn3c(C(O)=O)c(CCCOc4cccc5cc(F)ccc45)c4ccc(Cl)c-2c34)nn1C
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TBA

Assay Description
MCL-1/Noxa BH3 Peptide (MCL-1 Assay): From there, 50 nl were transferred in a dark test plate (Greiner Bio-One, Frickenhausen, Germany). The assay wa...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2930XCJ
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide


(Homo sapiens (Human))
BDBM572161
PNG
((rac)-4-chloro-7-{3-[(6-fluoronaphthalen-1-yl)oxy]...)
Show SMILES Cc1c-2c(COCCCCn3c(C(O)=O)c(CCCOc4cccc5cc(F)ccc45)c4ccc(Cl)c-2c34)nn1C
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Assay Description
The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2057K58
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide


(Homo sapiens (Human))
BDBM571443
PNG
((rac)-4-fluoro-2,3-dimethyl-15-[2-(morpholin-4-yl)...)
Show SMILES Cc1c-2c(nn1C)C(CCN1CCOCC1)OCCCCn1c(C(O)=O)c(CCCOc3cccc4ccccc34)c3ccc(F)c-2c13
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Assay Description
The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2J38WT5
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide


(Homo sapiens (Human))
BDBM572173
PNG
(4-chloro-2,3-dimethyl-7-[3-(naphthalen-1-yloxy)pro...)
Show SMILES Cc1[nH]nc2COCCCCn3c(C(O)=O)c(CCCOc4cccc5ccccc45)c4ccc(Cl)c(-c12)c34
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.690n/an/an/an/an/an/a


TBA

Assay Description
The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2057K58
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide


(Homo sapiens (Human))
BDBM571496
PNG
((rac)-4-chloro-3-ethyl-7-{3-[(6-fluoronaphthalen-1...)
Show SMILES CCc1c-2c(nn1C)C(CCC1CCOCC1)OCCCCn1c(C(O)=O)c(CCCOc3cccc4cc(F)ccc34)c3ccc(Cl)c-2c13
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.690n/an/an/an/an/an/a


TBA

Assay Description
The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2J38WT5
More data for this
Ligand-Target Pair
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