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Compile Data Set for Download or QSAR

Found 1816 hits with Last Name = 'winter' and Initial = 'j'   
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
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50366620
PNG
(RESINIFERATOXIN)
Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3[C@H]4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)[C@]3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)ccc1O |r,t:10,35,TLB:23:15:12:24.25.26,THB:16:15:12:24.25.26|
Show InChI InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35+,36?,37-/m1/s1
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 0.120n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Binding affinity against Vanilloid receptor in dorsal Root Ganglion (DRG) membranes using [3H]RTX binding assay.

J Med Chem 39: 2939-52 (1996)


Article DOI: 10.1021/jm960139d
BindingDB Entry DOI: 10.7270/Q2CV4JD5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50366620
PNG
(RESINIFERATOXIN)
Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3[C@H]4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)[C@]3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)ccc1O |r,t:10,35,TLB:23:15:12:24.25.26,THB:16:15:12:24.25.26|
Show InChI InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35+,36?,37-/m1/s1
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 0.120n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Binding affinity against Vanilloid receptor in dorsal Root Ganglion (DRG) membranes using [3H]RTX binding assay.

J Med Chem 39: 2939-52 (1996)


Article DOI: 10.1021/jm960139d
BindingDB Entry DOI: 10.7270/Q2CV4JD5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50052327
PNG
(6-hydroxy-15-isopropenyl-4,13,17-trimethyl-5-oxo-(...)
Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3C4OC5(O[C@@]4(C[C@@H](C)C3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)c2ccccc2)ccc1O |t:10,27,THB:35:15:12:17.19.18,16:15:12:17.19.18|
Show InChI InChI=1S/C36H38O9/c1-20(2)34-17-22(4)35-26(32(34)43-36(44-34,45-35)25-9-7-6-8-10-25)14-24(18-33(40)29(35)13-21(3)31(33)39)19-42-30(38)16-23-11-12-27(37)28(15-23)41-5/h6-15,22,26,29,32,37,40H,1,16-19H2,2-5H3/t22-,26+,29-,32?,33-,34+,35?,36?/m1/s1
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 0.170n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Binding affinity against Vanilloid receptor in dorsal Root Ganglion (DRG) membranes using [3H]RTX binding assay.

J Med Chem 39: 2939-52 (1996)


Article DOI: 10.1021/jm960139d
BindingDB Entry DOI: 10.7270/Q2CV4JD5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50052320
PNG
(13-benzyl-6-hydroxy-15-isopropenyl-4,17-dimethyl-5...)
Show SMILES COc1ccc(CC(=O)OCC2=C[C@H]3C4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)C3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)cc1OC |t:11,36,THB:17:16:13:25.27.26,24:16:13:25.27.26|
Show InChI InChI=1S/C38H42O9/c1-22(2)36-18-24(4)38-28(34(36)45-37(46-36,47-38)20-25-10-8-7-9-11-25)15-27(19-35(41)31(38)14-23(3)33(35)40)21-44-32(39)17-26-12-13-29(42-5)30(16-26)43-6/h7-16,24,28,31,34,41H,1,17-21H2,2-6H3/t24-,28+,31-,34?,35-,36+,37?,38?/m1/s1
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 1n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Binding affinity against Vanilloid receptor in dorsal Root Ganglion (DRG) membranes using [3H]RTX binding assay.

J Med Chem 39: 2939-52 (1996)


Article DOI: 10.1021/jm960139d
BindingDB Entry DOI: 10.7270/Q2CV4JD5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50052323
PNG
((4-Hydroxy-3-methoxy-phenyl)-acetic acid 4a,7b-dih...)
Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3C4OC5(C)O[C@@]4(C[C@@H](C)C3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)ccc1O |t:10,28,THB:16:15:12:18.20.19,17:15:12:18.20.19|
Show InChI InChI=1S/C31H36O9/c1-16(2)30-13-18(4)31-21(27(30)38-28(5,39-30)40-31)10-20(14-29(35)24(31)9-17(3)26(29)34)15-37-25(33)12-19-7-8-22(32)23(11-19)36-6/h7-11,18,21,24,27,32,35H,1,12-15H2,2-6H3/t18-,21+,24-,27?,28?,29-,30+,31?/m1/s1
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 3.20n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Binding affinity against Vanilloid receptor in dorsal Root Ganglion (DRG) membranes using [3H]RTX binding assay.

J Med Chem 39: 2939-52 (1996)


Article DOI: 10.1021/jm960139d
BindingDB Entry DOI: 10.7270/Q2CV4JD5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50052333
PNG
(13-benzyl-6-hydroxy-15-isopropenyl-4,17-dimethyl-5...)
Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3C4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)C3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)ccc1OCCN |t:10,35,THB:16:15:12:24.26.25,23:15:12:24.26.25|
Show InChI InChI=1S/C39H45NO9/c1-23(2)37-19-25(4)39-29(35(37)47-38(48-37,49-39)21-26-9-7-6-8-10-26)16-28(20-36(43)32(39)15-24(3)34(36)42)22-46-33(41)18-27-11-12-30(45-14-13-40)31(17-27)44-5/h6-12,15-17,25,29,32,35,43H,1,13-14,18-22,40H2,2-5H3/t25-,29+,32-,35?,36-,37+,38?,39?/m1/s1
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 4.30n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Binding affinity against Vanilloid receptor in dorsal Root Ganglion (DRG) membranes using [3H]RTX binding assay.

J Med Chem 39: 2939-52 (1996)


Article DOI: 10.1021/jm960139d
BindingDB Entry DOI: 10.7270/Q2CV4JD5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50052328
PNG
(13-benzyl-6-hydroxy-15-isopropenyl-4,17-dimethyl-5...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)OC2[C@@H]2C=C(COC(=O)Cc4ccccc4)C[C@@]4(O)[C@@H](C=C(C)C4=O)C12O3)C(C)=C |t:18,36,TLB:6:5:15:3.1.2,4:5:15:3.1.2|
Show InChI InChI=1S/C36H38O7/c1-22(2)34-18-24(4)36-28(32(34)41-35(42-34,43-36)20-26-13-9-6-10-14-26)16-27(19-33(39)29(36)15-23(3)31(33)38)21-40-30(37)17-25-11-7-5-8-12-25/h5-16,24,28-29,32,39H,1,17-21H2,2-4H3/t24-,28+,29-,32?,33-,34+,35?,36?/m1/s1
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 8.30n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Binding affinity against Vanilloid receptor in dorsal Root Ganglion (DRG) membranes using [3H]RTX binding assay.

J Med Chem 39: 2939-52 (1996)


Article DOI: 10.1021/jm960139d
BindingDB Entry DOI: 10.7270/Q2CV4JD5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50052330
PNG
(13-benzyl-5,6-dihydroxy-15-isopropenyl-4,17-dimeth...)
Show SMILES COc1cc(CC(=O)NCC2=C[C@H]3C4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)C3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)ccc1O |t:10,35,THB:16:15:12:24.26.25,23:15:12:24.26.25|
Show InChI InChI=1S/C37H41NO8/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(42)30(37)13-22(3)32(34)41)20-38-31(40)16-25-11-12-28(39)29(15-25)43-5/h6-15,23,27,30,33,39,42H,1,16-20H2,2-5H3,(H,38,40)/t23-,27+,30-,33?,34-,35+,36?,37?/m1/s1
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 11n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Binding affinity against Vanilloid receptor in dorsal Root Ganglion (DRG) membranes using [3H]RTX binding assay.

J Med Chem 39: 2939-52 (1996)


Article DOI: 10.1021/jm960139d
BindingDB Entry DOI: 10.7270/Q2CV4JD5
More data for this
Ligand-Target Pair
L-lactate dehydrogenase


(Plasmodium falciparum)		BDBM23232
PNG
(1,2,5-oxadiazole, OXD1 | 4-hydroxy-1,2,5-oxadiazol...)
Show SMILES OC(=O)c1no[nH]c1=O
Show InChI InChI=1S/C3H2N2O4/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8)
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 210 -38.1 650n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...

J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
L-lactate dehydrogenase


(Plasmodium falciparum)		BDBM23251
PNG
(1,2,5-Thiadiazole, TDA1 | 4-hydroxy-1,2,5-thiadiaz...)
Show SMILES OC(=O)c1ns[nH]c1=O
Show InChI InChI=1S/C3H2N2O3S/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8)
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 290 -37.3 140n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...

J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50385474
PNG
(CHEMBL2036748)
Show SMILES CN1CCCC(CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1
Show InChI InChI=1S/C18H26Cl2N4O/c1-22-6-2-3-14(12-22)13-23-7-9-24(10-8-23)18(25)21-15-4-5-16(19)17(20)11-15/h4-5,11,14H,2-3,6-10,12-13H2,1H3,(H,21,25)
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 400n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human HEK cell membrane

Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
L-lactate dehydrogenase


(Plasmodium falciparum)		BDBM23242
PNG
(1,2(1,5)-Isoxazole, IOA1 | 3-hydroxy-1,2-oxazole-4...)
Show SMILES OC(=O)c1co[nH]c1=O
Show InChI InChI=1S/C4H3NO4/c6-3-2(4(7)8)1-9-5-3/h1H,(H,5,6)(H,7,8)
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 470 -36.1 1.10E+3n/an/an/an/a7.525



University of Bristol



Assay Description
An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...

J Biol Chem 279: 31429-39 (2004)


Article DOI: 10.1074/jbc.M402433200
BindingDB Entry DOI: 10.7270/Q2CR5RN4
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50052321
PNG
(CHEMBL98634 | Phenyl-acetic acid (1aR,1bS,4aR,7aS,...)
Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3[C@@H]4C(C)(C)[C@@]4(C[C@@H](C)C3(O)[C@@H]3C=C(C)C(=O)[C@]3(C2)OC)OC(=O)Cc2ccccc2)ccc1O |t:10,26|
Show InChI InChI=1S/C38H44O9/c1-22-14-30-36(45-6,34(22)42)20-26(21-46-31(40)18-25-12-13-28(39)29(16-25)44-5)15-27-33-35(3,4)37(33,19-23(2)38(27,30)43)47-32(41)17-24-10-8-7-9-11-24/h7-16,23,27,30,33,39,43H,17-21H2,1-6H3/t23-,27+,30-,33?,36-,37+,38?/m1/s1
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 600n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Binding affinity against Vanilloid receptor in dorsal Root Ganglion (DRG) membranes using [3H]RTX binding assay.

J Med Chem 39: 2939-52 (1996)


Article DOI: 10.1021/jm960139d
BindingDB Entry DOI: 10.7270/Q2CV4JD5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM20461
PNG
((6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methy...)
Show SMILES COc1cc(CNC(=O)CCCC\C=C\C(C)C)ccc1O
Show InChI InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
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 2.00E+3n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Binding affinity against Vanilloid receptor in dorsal Root Ganglion (DRG) membranes using [3H]RTX binding assay.

J Med Chem 39: 2939-52 (1996)


Article DOI: 10.1021/jm960139d
BindingDB Entry DOI: 10.7270/Q2CV4JD5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50052324
PNG
(13-benzyl-6-hydroxy-8-hydroxymethyl-15-isopropenyl...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)OC2[C@@H]2C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)C12O3)C(C)=C |t:18,26,TLB:6:5:15:3.1.2,4:5:15:3.1.2|
Show InChI InChI=1S/C28H32O6/c1-16(2)26-12-18(4)28-21(11-20(15-29)13-25(31)22(28)10-17(3)23(25)30)24(26)32-27(33-26,34-28)14-19-8-6-5-7-9-19/h5-11,18,21-22,24,29,31H,1,12-15H2,2-4H3/t18-,21+,22-,24?,25-,26+,27?,28?/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Binding affinity against Vanilloid receptor in dorsal Root Ganglion (DRG) membranes using [3H]RTX binding assay.

J Med Chem 39: 2939-52 (1996)


Article DOI: 10.1021/jm960139d
BindingDB Entry DOI: 10.7270/Q2CV4JD5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))		BDBM50563635
PNG
(CHEMBL4777640)
Show SMILES COc1cc2c(Nc3cnc(OCCCC4CCCC4)nc3)ncnc2cc1OCCCN1CCCCC1
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n/an/a 0.794n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 6His/thrombin cleavage site-fused Avi-tagged dephosphorylated MER (unknown origin) (R528 to M999 residues) using Axltide (CKKSRGDYMTMQJ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01904
BindingDB Entry DOI: 10.7270/Q2XP78NC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))		BDBM50573136
PNG
(CHEMBL4875486)
Show SMILES CN(Cc1ccc2nccn2c1)c1nnc(o1)-c1ccc(cc1C)-c1c(C)nn(C)c1C#N
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n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MER (unknown origin) by LC-MS analysis

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00920
BindingDB Entry DOI: 10.7270/Q2S18686
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase Mer


(Homo sapiens (Human))		BDBM50172077
PNG
(CHEMBL3810063)
Show SMILES Cc1c(C(=O)Nc2ccc(Oc3ccnc4[nH]cc(-c5ccccc5)c34)c(F)c2)c(=O)n(-c2ccc(F)cc2)n1C
Show InChI InChI=1S/C31H23F2N5O3/c1-18-27(31(40)38(37(18)2)22-11-8-20(32)9-12-22)30(39)36-21-10-13-25(24(33)16-21)41-26-14-15-34-29-28(26)23(17-35-29)19-6-4-3-5-7-19/h3-17H,1-2H3,(H,34,35)(H,36,39)
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n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 6His/thrombin cleavage site-fused Avi-tagged dephosphorylated MER (unknown origin) (R528 to M999 residues) using Axltide (CKKSRGDYMTMQJ...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01904
BindingDB Entry DOI: 10.7270/Q2XP78NC
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50173389
PNG
(CHEMBL198150 | N-Ethyl-2-(4-methanesulfonyl-phenyl...)
Show SMILES CCN(C1CCN(CCC(c2ccccc2)c2ccc(cc2)S(C)(=O)=O)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C32H40N2O5S2/c1-4-34(32(35)24-25-10-14-29(15-11-25)40(2,36)37)28-18-21-33(22-19-28)23-20-31(26-8-6-5-7-9-26)27-12-16-30(17-13-27)41(3,38)39/h5-17,28,31H,4,18-24H2,1-3H3
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n/an/a 1.70n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells

Bioorg Med Chem Lett 15: 5012-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.014
BindingDB Entry DOI: 10.7270/Q23R0SFG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))		BDBM50573135
PNG
(CHEMBL4873217)
Show SMILES CN(Cc1ccc2nccn2c1)c1nnc(o1)-c1ccc(cc1C)-c1cnn(C)c1C
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MER (unknown origin) by LC-MS analysis

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00920
BindingDB Entry DOI: 10.7270/Q2S18686
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50173388
PNG
(CHEMBL197641 | N-Ethyl-2-(4-methanesulfonyl-phenyl...)
Show SMILES CCN(C1CCN(CCC(c2ccccc2)c2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C32H37F3N2O3S/c1-3-37(31(38)23-24-9-15-29(16-10-24)41(2,39)40)28-17-20-36(21-18-28)22-19-30(25-7-5-4-6-8-25)26-11-13-27(14-12-26)32(33,34)35/h4-16,28,30H,3,17-23H2,1-2H3
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n/an/a 2.30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells

Bioorg Med Chem Lett 15: 5012-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.014
BindingDB Entry DOI: 10.7270/Q23R0SFG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))		BDBM50573128
PNG
(CHEMBL4865752)
Show SMILES CN(Cc1ccc2nccn2c1)c1nnc(o1)-c1ccc(cc1Cl)-c1c(C)nn(C)c1C
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n/an/a 2.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MER (unknown origin) by LC-MS analysis

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00920
BindingDB Entry DOI: 10.7270/Q2S18686
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3


(Homo sapiens (Human))		BDBM50082118
PNG
(CHEMBL3422678)
Show SMILES Cc1noc(C)c1Cn1nc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc12 |r|
Show InChI InChI=1S/C25H24N6O3/c1-15-21(16(2)34-30-15)14-31-24-10-9-19(12-20(24)23(13-26)29-31)33-18-7-5-17(6-8-18)28-25(32)22-4-3-11-27-22/h5-10,12,22,27H,3-4,11,14H2,1-2H3,(H,28,32)/t22-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay

J Med Chem 58: 3611-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00352
BindingDB Entry DOI: 10.7270/Q2571DQB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))		BDBM264231
PNG
((2R)-N-(3-{5-fluoro- 2-[(3-methoxy-1- methyl-1H-py...)
Show SMILES CC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1F |r|
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n/an/a<3n/an/an/an/an/an/a



Dizal (Jiangsu) Pharmaceutical Co., Ltd.

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, PV4774, Carlsbad, Calif.), JAK2 (amino acid...

US Patent US10654835 (2020)


BindingDB Entry DOI: 10.7270/Q29C71F3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))		BDBM264233
PNG
((2R)-N-(3-{2- [(1,3-dimethyl-1H- pyrazol-4-yl)amin...)
Show SMILES COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1F |r|
Show InChI InChI=1S/C26H32FN9O2/c1-16-21(14-35(3)33-16)31-26-29-13-19(27)23(32-26)18-12-28-24-17(18)6-5-7-20(24)30-25(37)22(15-38-4)36-10-8-34(2)9-11-36/h5-7,12-14,22,28H,8-11,15H2,1-4H3,(H,30,37)(H,29,31,32)/t22-/m1/s1
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TBA

Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...

Citation and Details

BindingDB Entry DOI: 10.7270/Q29G5R1P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))		BDBM264225
PNG
((2R)-3-methoxy-N- (3-{2-[(3-methoxy- 1-methyl-1H-p...)
Show SMILES COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1C |r|
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TBA

Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...

Citation and Details

BindingDB Entry DOI: 10.7270/Q29G5R1P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))		BDBM264233
PNG
((2R)-N-(3-{2- [(1,3-dimethyl-1H- pyrazol-4-yl)amin...)
Show SMILES COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1F |r|
Show InChI InChI=1S/C26H32FN9O2/c1-16-21(14-35(3)33-16)31-26-29-13-19(27)23(32-26)18-12-28-24-17(18)6-5-7-20(24)30-25(37)22(15-38-4)36-10-8-34(2)9-11-36/h5-7,12-14,22,28H,8-11,15H2,1-4H3,(H,30,37)(H,29,31,32)/t22-/m1/s1
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Dizal (Jiangsu) Pharmaceutical Co., Ltd.

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, PV4774, Carlsbad, Calif.), JAK2 (amino acid...

US Patent US10654835 (2020)


BindingDB Entry DOI: 10.7270/Q29C71F3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))		BDBM264225
PNG
((2R)-3-methoxy-N- (3-{2-[(3-methoxy- 1-methyl-1H-p...)
Show SMILES COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1C |r|
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n/an/a<3n/an/an/an/an/an/a



Dizal (Jiangsu) Pharmaceutical Co., Ltd.

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, PV4774, Carlsbad, Calif.), JAK2 (amino acid...

US Patent US10654835 (2020)


BindingDB Entry DOI: 10.7270/Q29C71F3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))		BDBM264225
PNG
((2R)-3-methoxy-N- (3-{2-[(3-methoxy- 1-methyl-1H-p...)
Show SMILES COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1C |r|
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Dizal (Jiangsu) Pharmaceutical Co., Ltd.

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...

US Patent US10167276 (2019)


BindingDB Entry DOI: 10.7270/Q20R9RG0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))		BDBM264231
PNG
((2R)-N-(3-{5-fluoro- 2-[(3-methoxy-1- methyl-1H-py...)
Show SMILES CC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1F |r|
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Dizal (Jiangsu) Pharmaceutical Co., Ltd.

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...

US Patent US10167276 (2019)


BindingDB Entry DOI: 10.7270/Q20R9RG0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))		BDBM264233
PNG
((2R)-N-(3-{2- [(1,3-dimethyl-1H- pyrazol-4-yl)amin...)
Show SMILES COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1F |r|
Show InChI InChI=1S/C26H32FN9O2/c1-16-21(14-35(3)33-16)31-26-29-13-19(27)23(32-26)18-12-28-24-17(18)6-5-7-20(24)30-25(37)22(15-38-4)36-10-8-34(2)9-11-36/h5-7,12-14,22,28H,8-11,15H2,1-4H3,(H,30,37)(H,29,31,32)/t22-/m1/s1
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Dizal (Jiangsu) Pharmaceutical Co., Ltd.

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...

US Patent US10167276 (2019)


BindingDB Entry DOI: 10.7270/Q20R9RG0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))		BDBM264231
PNG
((2R)-N-(3-{5-fluoro- 2-[(3-methoxy-1- methyl-1H-py...)
Show SMILES CC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1F |r|
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TBA

Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...

Citation and Details

BindingDB Entry DOI: 10.7270/Q29G5R1P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))		BDBM50172077
PNG
(CHEMBL3810063)
Show SMILES Cc1c(C(=O)Nc2ccc(Oc3ccnc4[nH]cc(-c5ccccc5)c34)c(F)c2)c(=O)n(-c2ccc(F)cc2)n1C
Show InChI InChI=1S/C31H23F2N5O3/c1-18-27(31(40)38(37(18)2)22-11-8-20(32)9-12-22)30(39)36-21-10-13-25(24(33)16-21)41-26-14-15-34-29-28(26)23(17-35-29)19-6-4-3-5-7-19/h3-17H,1-2H3,(H,34,35)(H,36,39)
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n/an/a 3.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged AXL (unknown origin) (464 to 485 residues) using Axltide (CKKSRGDYMTMQJG-acid) peptide as substrate preincubated for 30 mins...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01904
BindingDB Entry DOI: 10.7270/Q2XP78NC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50563640
PNG
(CHEMBL4746916)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3cc(NC(=O)C4CC4)ncn3)cc2)ccc1CN1CCn2ccnc2C1
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n/an/a 3.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His6/TEV fused-GST-tagged Flt3 (unknown origin) (H564 to S993 residues) using Axltide (CKKSRGDYMTMQJ-acid) peptide as substrate preincu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01904
BindingDB Entry DOI: 10.7270/Q2XP78NC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))		BDBM50573130
PNG
(CHEMBL4855381)
Show SMILES CN(Cc1ccc2nccn2c1)c1nnc(o1)-c1ccc(cc1C)-c1c(C)nn(C)c1C
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n/an/a 3.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MER (unknown origin) by LC-MS analysis

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00920
BindingDB Entry DOI: 10.7270/Q2S18686
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50385450
PNG
(CHEMBL2036782)
Show SMILES CC(C)N1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H27Cl2N5O2/c1-13(2)26-6-5-22-17(12-26)18(27)24-7-9-25(10-8-24)19(28)23-14-3-4-15(20)16(21)11-14/h3-4,11,13,17,22H,5-10,12H2,1-2H3,(H,23,28)/t17-/m1/s1
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n/an/a 3.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay

Bioorg Med Chem Lett 22: 3895-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.118
BindingDB Entry DOI: 10.7270/Q2PG1SRD
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3


(Homo sapiens (Human))		BDBM50082117
PNG
(CHEMBL3422677)
Show SMILES CC(C)Cn1nc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc12 |r|
Show InChI InChI=1S/C23H25N5O2/c1-15(2)14-28-22-10-9-18(12-19(22)21(13-24)27-28)30-17-7-5-16(6-8-17)26-23(29)20-4-3-11-25-20/h5-10,12,15,20,25H,3-4,11,14H2,1-2H3,(H,26,29)/t20-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay

J Med Chem 58: 3611-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00352
BindingDB Entry DOI: 10.7270/Q2571DQB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))		BDBM264224
PNG
((2R)-N-(3-{2-[(3- Methoxy-1-methyl- 1H-pyrazol-4-y...)
Show SMILES CC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1C |r|
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Dizal (Jiangsu) Pharmaceutical Co., Ltd.

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, PV4774, Carlsbad, Calif.), JAK2 (amino acid...

US Patent US10654835 (2020)


BindingDB Entry DOI: 10.7270/Q29C71F3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))		BDBM264229
PNG
((2R)-N-(3-{2-[(1,3- dimethyl-1H-pyrazol- 4-yl)amin...)
Show SMILES CC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1F |r|
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Dizal (Jiangsu) Pharmaceutical Co., Ltd.

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, PV4774, Carlsbad, Calif.), JAK2 (amino acid...

US Patent US10654835 (2020)


BindingDB Entry DOI: 10.7270/Q29C71F3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))		BDBM264229
PNG
((2R)-N-(3-{2-[(1,3- dimethyl-1H-pyrazol- 4-yl)amin...)
Show SMILES CC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1F |r|
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Dizal (Jiangsu) Pharmaceutical Co., Ltd.

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...

US Patent US10167276 (2019)


BindingDB Entry DOI: 10.7270/Q20R9RG0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))		BDBM264240
PNG
((2R)-3-Methoxy-N- (3-{2-[(3-methoxy- 1-methyl-1H-p...)
Show SMILES COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2OC)n1 |r|
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Dizal (Jiangsu) Pharmaceutical Co., Ltd.

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...

US Patent US10167276 (2019)


BindingDB Entry DOI: 10.7270/Q20R9RG0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))		BDBM264240
PNG
((2R)-3-Methoxy-N- (3-{2-[(3-methoxy- 1-methyl-1H-p...)
Show SMILES COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2OC)n1 |r|
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TBA

Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...

Citation and Details

BindingDB Entry DOI: 10.7270/Q29G5R1P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))		BDBM50563644
PNG
(CHEMBL4782810)
Show SMILES CNC(=O)c1sc(nc1C(F)(F)F)N1CC2CC1(CNC(=O)c1c[nH]c3ncc(C)cc13)C2 |(45.05,-5.8,;43.51,-5.8,;42.74,-7.13,;43.5,-8.46,;41.2,-7.12,;40.3,-5.87,;38.82,-6.34,;38.82,-7.88,;40.29,-8.36,;40.75,-9.82,;42.29,-9.82,;41.52,-11.16,;39.72,-10.97,;37.58,-5.43,;37.59,-3.89,;36.13,-3.41,;35.22,-4.66,;36.12,-5.9,;35.64,-7.37,;34.13,-7.68,;33.1,-6.53,;33.58,-5.07,;31.6,-6.85,;30.97,-8.24,;29.44,-8.08,;29.13,-6.58,;27.79,-5.81,;27.79,-4.27,;29.12,-3.5,;29.11,-1.96,;30.45,-4.26,;30.46,-5.81,;36.52,-4.89,)|
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KEGG

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TBA

Assay Description
Inhibition of GST-tagged AXL (unknown origin) (464 to 485 residues) using Axltide (CKKSRGDYMTMQJG-acid) peptide as substrate preincubated for 30 mins...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01904
BindingDB Entry DOI: 10.7270/Q2XP78NC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50527916
PNG
(CHEMBL4446962)
Show SMILES COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NCc3ccc(C)nc3C)cccc12
Show InChI InChI=1S/C26H28N8O/c1-15-11-29-26(31-22-14-34(4)33-25(22)35-5)32-23(15)20-13-28-24-19(20)7-6-8-21(24)27-12-18-10-9-16(2)30-17(18)3/h6-11,13-14,27-28H,12H2,1-5H3,(H,29,31,32)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged JAK1 (866 to 1154 residues) expressed in insect cells using FITC-labeled C6-KKHTDDGYMPMSPGVA-NH...

J Med Chem 63: 4517-4527 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01392
BindingDB Entry DOI: 10.7270/Q21V5JDF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))		BDBM264224
PNG
((2R)-N-(3-{2-[(3- Methoxy-1-methyl- 1H-pyrazol-4-y...)
Show SMILES CC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1C |r|
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Dizal (Jiangsu) Pharmaceutical Co., Ltd.

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...

US Patent US10167276 (2019)


BindingDB Entry DOI: 10.7270/Q20R9RG0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))		BDBM264224
PNG
((2R)-N-(3-{2-[(3- Methoxy-1-methyl- 1H-pyrazol-4-y...)
Show SMILES CC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1C |r|
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TBA

Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...

Citation and Details

BindingDB Entry DOI: 10.7270/Q29G5R1P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))		BDBM264229
PNG
((2R)-N-(3-{2-[(1,3- dimethyl-1H-pyrazol- 4-yl)amin...)
Show SMILES CC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2C)ncc1F |r|
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TBA

Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...

Citation and Details

BindingDB Entry DOI: 10.7270/Q29G5R1P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))		BDBM264240
PNG
((2R)-3-Methoxy-N- (3-{2-[(3-methoxy- 1-methyl-1H-p...)
Show SMILES COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2OC)n1 |r|
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Dizal (Jiangsu) Pharmaceutical Co., Ltd.

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, PV4774, Carlsbad, Calif.), JAK2 (amino acid...

US Patent US10654835 (2020)


BindingDB Entry DOI: 10.7270/Q29C71F3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))		BDBM313401
PNG
((2R)-N-(3-{2-[(3-ethoxy-1-methyl-1H- pyrazol-4-yl)...)
Show SMILES CCOc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](COC)N3CCN(C)CC3)cccc12 |r|
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Dizal (Jiangsu) Pharmaceutical Co., Ltd.

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...

US Patent US10167276 (2019)


BindingDB Entry DOI: 10.7270/Q20R9RG0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))		BDBM313401
PNG
((2R)-N-(3-{2-[(3-ethoxy-1-methyl-1H- pyrazol-4-yl)...)
Show SMILES CCOc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](COC)N3CCN(C)CC3)cccc12 |r|
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TBA

Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...

Citation and Details

BindingDB Entry DOI: 10.7270/Q29G5R1P
More data for this
Ligand-Target Pair
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