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Compile Data Set for Download or QSAR

Found 2320 hits with Last Name = 'ho' and Initial = 'sy'   
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
N-acetyltransferase Eis


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM81484
PNG
(BROMPERIDOL | Bromoperidol | CAS_2448 | NSC_2448)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Br)cc1
Show InChI InChI=1S/C21H23BrFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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TBA



Citation and Details

Article DOI: 10.1039/d1md00239b
BindingDB Entry DOI: 10.7270/Q2417214
More data for this
Ligand-Target Pair
N-acetyltransferase Eis


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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TBA



Citation and Details

Article DOI: 10.1039/d1md00239b
BindingDB Entry DOI: 10.7270/Q2417214
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
N-acetyltransferase Eis


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50530672
PNG
(CHEMBL4461948)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C21H23F2NO2/c22-18-7-3-16(4-8-18)20(25)2-1-13-24-14-11-21(26,12-15-24)17-5-9-19(23)10-6-17/h3-10,26H,1-2,11-15H2
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TBA



Citation and Details

Article DOI: 10.1039/d1md00239b
BindingDB Entry DOI: 10.7270/Q2417214
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))		BDBM515773
PNG
(US11053225, Compound 23)
Show SMILES Cn1cc(cn1)-c1cnc(NC23CC4CC(CC(C4)C2)C3)nc1NC1CCCCC1 |TLB:20:11:18:14.15.16,THB:10:11:18:14.15.16,20:15:18:11.19.12,19:11:14:18.17.16,19:17:14:11.20.12|
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Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))		BDBM50502491
PNG
(CHEMBL4443354 | US11834430, Compound 41)
Show SMILES C[C@H](COc1cccc(c1)-n1ccnc1C1CC1)Oc1ccc(cc1F)C#N |r|
Show InChI InChI=1S/C22H20FN3O2/c1-15(28-21-8-5-16(13-24)11-20(21)23)14-27-19-4-2-3-18(12-19)26-10-9-25-22(26)17-6-7-17/h2-5,8-12,15,17H,6-7,14H2,1H3/t15-/m1/s1
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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))		BDBM515838
PNG
(US11053225, Compound 139)
Show SMILES Cn1cc(cn1)-c1cnc(Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)nc1Nc1ccc2CCN(Cc2c1)C(=O)C(F)(F)F
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Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))		BDBM515828
PNG
(US11053225, Compound 129 | US11053225, Compound 19...)
Show SMILES OCCn1cc(cn1)-c1cnc(Nc2cccc(Cl)c2Cl)nc1Nc1ccc2CCNCc2c1
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Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))		BDBM515820
PNG
(US11053225, Compound 101 | US11053225, Compound 19...)
Show SMILES OCCn1cc(cn1)-c1cnc(Nc2cccc(Cl)c2)nc1Nc1ccc2CCNCc2c1
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Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))		BDBM515810
PNG
(US11053225, Compound 201)
Show SMILES OCCn1cc(cn1)-c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1Nc1ccc(cc1)C1CCNCC1
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Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))		BDBM515869
PNG
(US11053225, Compound 171)
Show SMILES CCCn1cc(cn1)-c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1Nc1ccc2CCNCc2c1
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Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))		BDBM515870
PNG
(US11053225, Compound 172)
Show SMILES CCCn1cc(cn1)-c1cnc(Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)nc1Nc1ccc2CCNCc2c1
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Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))		BDBM515817
PNG
(US11053225, Compound 89)
Show SMILES OCCn1cc(cn1)-c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1Nc1ccc2CCNCc2c1
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Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))		BDBM515814
PNG
(US11053225, Compound 84)
Show SMILES Cn1cc(cn1)-c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1Nc1ccc2CCNCc2c1
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Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))		BDBM515826
PNG
(US11053225, Compound 127)
Show SMILES OCCn1cc(cn1)-c1cnc(Nc2cc(F)cc(F)c2)nc1Nc1ccc2CCNCc2c1
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Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))		BDBM515794
PNG
(US11053225, Compound 75)
Show SMILES OCCn1cc(cn1)-c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1NC1CCNCC1
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Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Homo sapiens (Human))		BDBM50133864
PNG
(CHEMBL2139947 | US10251893, Compound 59)
Show SMILES Cc1cc(ccn1)-c1ccc(CC(=O)Nc2ccc(cc2)-c2cccnc2)cc1
Show InChI InChI=1S/C25H21N3O/c1-18-15-22(12-14-27-18)20-6-4-19(5-7-20)16-25(29)28-24-10-8-21(9-11-24)23-3-2-13-26-17-23/h2-15,17H,16H2,1H3,(H,28,29)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of porcupine activity (unknown origin) expressed in human HT1080 cells assessed as suppression of Wnt3A-mediated super top flash activity ...

Bioorg Med Chem Lett 25: 5472-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.032
BindingDB Entry DOI: 10.7270/Q21838C2
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))		BDBM637711
PNG
(3-methoxy-4-((1-(3- (2-methyl-1H- imidazol-1- yl)p...)
Show SMILES COc1cc(ccc1OC(C)COc1cccc(c1)-n1ccnc1C)C#N
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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))		BDBM515836
PNG
(US11053225, Compound 137)
Show SMILES Cn1cc(cn1)-c1cnc(Nc2cc(F)cc(F)c2)nc1Nc1ccc2CCNCc2c1
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Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))		BDBM515865
PNG
(US11053225, Compound 167)
Show SMILES CC(C)n1cc(cn1)-c1cnc(Nc2cccc(Cl)c2)nc1Nc1ccc2CCNCc2c1
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Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))		BDBM50502494
PNG
(CHEMBL4446351 | US11834430, Compound 9)
Show SMILES Clc1cc(ccc1OCCOc1cccc(c1)-n1ccnc1C1CC1)C#N
Show InChI InChI=1S/C21H18ClN3O2/c22-19-12-15(14-23)4-7-20(19)27-11-10-26-18-3-1-2-17(13-18)25-9-8-24-21(25)16-5-6-16/h1-4,7-9,12-13,16H,5-6,10-11H2
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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))		BDBM515786
PNG
(US11053225, Compound 69)
Show SMILES COc1ccc(cc1OC)-c1cnc(Nc2cccc(Cl)c2)nc1NC1CCN(CC1)C(=O)C(F)(F)F
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Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))		BDBM515847
PNG
(US11053225, Compound 148)
Show SMILES COc1cc(Nc2ncc(-c3cnn(CCO)c3)c(Nc3ccc4CCNCc4c3)n2)cc(c1)C(F)(F)F
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Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))		BDBM515871
PNG
(US11053225, Compound 173)
Show SMILES CCCn1cc(cn1)-c1cnc(Nc2cc(F)cc(F)c2)nc1Nc1ccc2CCNCc2c1
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Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))		BDBM515846
PNG
(US11053225, Compound 147)
Show SMILES OCCn1cc(cn1)-c1cnc(Nc2cc(F)cc(Cl)c2)nc1Nc1ccc2CCNCc2c1
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Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))		BDBM515860
PNG
(US11053225, Compound 162)
Show SMILES CC(C)n1cc(cn1)-c1cnc(Nc2cc(F)cc(F)c2)nc1Nc1ccc2CCNCc2c1
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Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))		BDBM515812
PNG
(US11053225, Compound 205)
Show SMILES OCCn1cc(cn1)-c1cnc(Nc2cc(F)cc(F)c2)nc1Nc1ccc(cc1)C1CCNCC1
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Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))		BDBM637738
PNG
((S)-3-chloro-4-((1- (3-(2-methyl-1H- imidazol-1- y...)
Show SMILES C[C@@H](COc1cccc(c1)-n1ccnc1C)Oc1ccc(cc1Cl)C#N |r|
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Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))		BDBM515830
PNG
(US11053225, Compound 131)
Show SMILES Fc1cc(F)cc(Nc2ncc(-c3cnn(c3)C3CCNCC3)c(Nc3ccc4CCNCc4c3)n2)c1
PDB
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TBA

Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))		BDBM515858
PNG
(US11053225, Compound 160)
Show SMILES CC(C)n1cc(cn1)-c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1Nc1ccc2CCNCc2c1
PDB
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TBA

Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))		BDBM515879
PNG
(US11053225, Compound 181)
Show SMILES CC(C)Cn1cc(cn1)-c1cnc(Nc2cc(F)cc(F)c2)nc1Nc1ccc2CCNCc2c1
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n/an/a 0.160n/an/an/an/an/an/a


TBA

Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))		BDBM50502488
PNG
(CHEMBL4449942 | US11834430, Compound 62)
Show SMILES N#Cc1ccc(OCCOc2cccc(c2)-n2ccnc2C2CC2)cc1
Show InChI InChI=1S/C21H19N3O2/c22-15-16-4-8-19(9-5-16)25-12-13-26-20-3-1-2-18(14-20)24-11-10-23-21(24)17-6-7-17/h1-5,8-11,14,17H,6-7,12-13H2
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n/an/a 0.170n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))		BDBM515877
PNG
(US11053225, Compound 179)
Show SMILES CC(C)Cn1cc(cn1)-c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1Nc1ccc2CCNCc2c1
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n/an/a 0.170n/an/an/an/an/an/a


TBA

Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))		BDBM515857
PNG
(US11053225, Compound 159)
Show SMILES Cc1ccc(F)cc1Nc1ncc(-c2cnn(C)c2)c(Nc2ccc3CCNCc3c2)n1
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n/an/a 0.170n/an/an/an/an/an/a


TBA

Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))		BDBM515867
PNG
(US11053225, Compound 169)
Show SMILES CC(C)n1cc(cn1)-c1cnc(Nc2cccc(C)c2)nc1Nc1ccc2CCNCc2c1
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n/an/a 0.170n/an/an/an/an/an/a


TBA

Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))		BDBM515799
PNG
(US11053225, Compound 103)
Show SMILES N[C@H]1CC[C@H](CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1-c1cnn(CCO)c1 |r,wU:4.7,1.0,(5.92,3.85,;4.58,3.08,;4.58,1.54,;3.25,.77,;1.92,1.54,;1.92,3.08,;3.25,3.85,;.58,.77,;.58,-.77,;1.92,-1.54,;1.92,-3.08,;3.25,-3.85,;4.58,-3.08,;5.92,-3.85,;7.25,-3.08,;8.59,-3.85,;7.25,-1.54,;5.92,-.77,;5.92,.77,;4.58,-1.54,;.58,-3.85,;-.75,-3.08,;-.75,-1.54,;-2.08,-.77,;-2.25,.76,;-3.75,1.08,;-4.52,-.25,;-6.01,-.65,;-7.1,.44,;-8.59,.04,;-3.49,-1.4,)|
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n/an/a 0.190n/an/an/an/an/an/a


TBA

Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM512366
PNG
(US11084824, Example 21)
Show SMILES CC(C)N1CCc2ccc(Nc3ncc4c(Nc5c(C)cccc5C)nn(C)c4n3)cc2C1
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n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
BTK enzyme evaluation with each compound of examples of the invention was performed by using BTK enzyme inhibition diagnosis kit (Cisbio, Codolet, Fr...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2NP27KP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))		BDBM515831
PNG
(US11053225, Compound 132)
Show SMILES Clc1cc(Cl)cc(Nc2ncc(-c3cnn(c3)C3CCNCC3)c(Nc3ccc4CCNCc4c3)n2)c1
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n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50384024
PNG
(CHEMBL2032280 | CHEMBL2079349)
Show SMILES Cc1c(O)ccc2nc(oc12)-c1cc(cnc1N)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C21H22N6O2/c1-12-18(28)3-2-17-19(12)29-21(26-17)16-8-13(9-24-20(16)22)14-10-25-27(11-14)15-4-6-23-7-5-15/h2-3,8-11,15,23,28H,4-7H2,1H3,(H2,22,24)
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n/an/a 0.200n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-Met by time resolved-fluorescence resonance energy transfer analysis

Bioorg Med Chem Lett 22: 4044-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.083
BindingDB Entry DOI: 10.7270/Q2FF3TC4
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))		BDBM50502492
PNG
(CHEMBL4446048 | US11834430, Compound 8)
Show SMILES COc1cc(ccc1OCCOc1cccc(c1)-n1ccnc1C)C#N
Show InChI InChI=1S/C20H19N3O3/c1-15-22-8-9-23(15)17-4-3-5-18(13-17)25-10-11-26-19-7-6-16(14-21)12-20(19)24-2/h3-9,12-13H,10-11H2,1-2H3
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TBA



Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM243386
PNG
(5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(7-is...)
Show SMILES CC(C)Oc1cc2CNCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C25H30ClN5O3S/c1-15(2)34-22-12-18-13-27-10-9-17(18)11-21(22)30-25-28-14-19(26)24(31-25)29-20-7-5-6-8-23(20)35(32,33)16(3)4/h5-8,11-12,14-16,27H,9-10,13H2,1-4H3,(H2,28,29,30,31)
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n/an/a 0.210n/an/an/an/an/a25



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
A proliferation inhibitory activity against the ALK of the compound represented by Chemical Formula 1 according to the present invention at an enzyme...

US Patent US10053458 (2018)


BindingDB Entry DOI: 10.7270/Q2ZS2ZH9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))		BDBM515783
PNG
(US11053225, Compound 65)
Show SMILES COc1ccccc1Nc1ncc(c(NC2CCN(CC2)C(=O)C(F)(F)F)n1)-c1ccc(OC)c(OC)c1
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n/an/a 0.210n/an/an/an/an/an/a


TBA

Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))		BDBM515861
PNG
(US11053225, Compound 163)
Show SMILES CC(C)n1cc(cn1)-c1cnc(Nc2cc(F)cc(Cl)c2)nc1Nc1ccc2CCNCc2c1
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n/an/a 0.230n/an/an/an/an/an/a


TBA

Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM243393
PNG
(5-chloro-N4-2-(isopropylsulfonyl)phenyl)-N2-(7-met...)
Show SMILES COc1cc2C(C)NCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C24H28ClN5O3S/c1-14(2)34(31,32)22-8-6-5-7-19(22)28-23-18(25)13-27-24(30-23)29-20-11-16-9-10-26-15(3)17(16)12-21(20)33-4/h5-8,11-15,26H,9-10H2,1-4H3,(H2,27,28,29,30)
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n/an/a 0.240n/an/an/an/an/a25



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

US Patent


Assay Description
A proliferation inhibitory activity against the ALK of the compound represented by Chemical Formula 1 according to the present invention at an enzyme...

US Patent US10053458 (2018)


BindingDB Entry DOI: 10.7270/Q2ZS2ZH9
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM243402
PNG
(5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(6-me...)
Show SMILES COc1cc2CCNCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C23H26ClN5O3S/c1-14(2)33(30,31)21-7-5-4-6-18(21)27-22-17(24)13-26-23(29-22)28-19-10-16-12-25-9-8-15(16)11-20(19)32-3/h4-7,10-11,13-14,25H,8-9,12H2,1-3H3,(H2,26,27,28,29)
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TBA

Assay Description
Inhibition of crizotinib-resistant ALK G1269A mutant (unknown origin) using peptide substrate incubated for 30 mins in presence of ATP by fluorescenc...

Citation and Details

Article DOI: 10.1016/j.bmc.2015.12.004
BindingDB Entry DOI: 10.7270/Q269778Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))		BDBM515876
PNG
(US11053225, Compound 178)
Show SMILES CCCn1cc(cn1)-c1cnc(Nc2cccc(Cl)c2)nc1Nc1ccc2CCNCc2c1
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n/an/a 0.270n/an/an/an/an/an/a


TBA

Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))		BDBM515880
PNG
(US11053225, Compound 182)
Show SMILES CC(C)Cn1cc(cn1)-c1cnc(Nc2cc(F)cc(Cl)c2)nc1Nc1ccc2CCNCc2c1
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n/an/a 0.270n/an/an/an/an/an/a


TBA

Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))		BDBM515803
PNG
(US11053225, Compound 110)
Show SMILES OCCn1cc(cn1)-c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@H]1CC[C@@H](CC1)NC(=O)C(F)(F)F |r,wU:24.26,wD:27.33,(3.74,-9.89,;4.65,-8.64,;4.02,-7.23,;4.92,-5.99,;4.45,-4.52,;5.69,-3.62,;6.94,-4.52,;6.46,-5.99,;5.69,-2.08,;7.03,-1.31,;7.03,.23,;5.69,1,;5.69,2.54,;4.36,3.31,;3.03,2.54,;1.69,3.31,;.36,2.54,;1.69,4.85,;3.03,5.62,;3.03,7.16,;4.36,4.85,;4.36,.23,;4.36,-1.31,;3.03,-2.08,;1.69,-1.31,;.36,-2.08,;-.97,-1.31,;-.97,.23,;.36,1,;1.69,.23,;-2.31,1,;-2.31,2.54,;-.97,3.31,;-3.64,3.31,;-4.97,4.08,;-2.87,4.65,;-4.41,1.98,)|
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n/an/a 0.280n/an/an/an/an/an/a


TBA

Assay Description
For evaluation of inhibitory activities of the compounds according to the present invention on Tyro 3, Axl, and Mer, the following test was carried o...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JM2DST
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))		BDBM637731
PNG
((S)-4-((1-(3-(2- cyclopropyl-1H- imidazol-1- yl)ph...)
Show SMILES C[C@@H](COc1cccc(c1)-n1ccnc1C1CC1)Oc1ccc(cc1C)C#N |r|
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n/an/a 0.300n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM512369
PNG
(US11084824, Example 24)
Show SMILES CC1N=C(Nc2c(C)cccc2C)c2cnc(Nc3ccc4CCN(CCO)Cc4c3)nc12 |t:2|
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n/an/a 0.300n/an/an/an/an/an/a


TBA

Assay Description
BTK enzyme evaluation with each compound of examples of the invention was performed by using BTK enzyme inhibition diagnosis kit (Cisbio, Codolet, Fr...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2NP27KP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM512370
PNG
(US11084824, Example 25)
Show SMILES Cc1cccc(C)c1Nc1nn(C2CCCC2)c2nc(Nc3ccc4CCNCc4c3)ncc12
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n/an/a 0.300n/an/an/an/an/an/a


TBA

Assay Description
BTK enzyme evaluation with each compound of examples of the invention was performed by using BTK enzyme inhibition diagnosis kit (Cisbio, Codolet, Fr...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2NP27KP
More data for this
Ligand-Target Pair
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