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Compile Data Set for Download or QSAR

Found 618 hits with Last Name = 'newitt' and Initial = 'ja'   
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
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))		BDBM50498202
PNG
(CHEMBL3416136)
Show SMILES COC(=O)Nc1ccc(c(c1)[C@H]1CCCN1C(=O)[C@H](Nc1ccc2CCNC(=O)c2c1)c1cc(OC)c(OC)cc1F)S(=O)(=O)C(C)C |r|
Show InChI InChI=1S/C34H39FN4O8S/c1-19(2)48(43,44)30-11-10-22(38-34(42)47-5)16-25(30)27-7-6-14-39(27)33(41)31(24-17-28(45-3)29(46-4)18-26(24)35)37-21-9-8-20-12-13-36-32(40)23(20)15-21/h8-11,15-19,27,31,37H,6-7,12-14H2,1-5H3,(H,36,40)(H,38,42)/t27-,31-/m1/s1
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 130n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE3) using D-Ile-Pro-Arg-pNA as substrate after 30 mins by spectrophoto...

J Med Chem 58: 2799-808 (2015)


Article DOI: 10.1021/jm501982k
BindingDB Entry DOI: 10.7270/Q28D007C
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))		BDBM50038002
PNG
(Benzamidine (Protonated) | CHEMBL20936 | CHEMBL537...)
Show SMILES NC(=N)c1ccccc1
Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
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 2.40E+5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE3) using D-Ile-Pro-Arg-pNA as substrate after 30 mins by spectrophoto...

J Med Chem 58: 2799-808 (2015)


Article DOI: 10.1021/jm501982k
BindingDB Entry DOI: 10.7270/Q28D007C
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))		BDBM50498197
PNG
(5-CHLOROINDOLE-2-CARBOXYLIC ACID)
Show SMILES OC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C9H6ClNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)
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 3.50E+6n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE3) using D-Ile-Pro-Arg-pNA as substrate after 30 mins by spectrophoto...

J Med Chem 58: 2799-808 (2015)


Article DOI: 10.1021/jm501982k
BindingDB Entry DOI: 10.7270/Q28D007C
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))		BDBM50294169
PNG
(5-chloro-1H-indole | CHEMBL555013)
Show SMILES Clc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C8H6ClN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
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 4.30E+6n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE3) using D-Ile-Pro-Arg-pNA as substrate after 30 mins by spectrophoto...

J Med Chem 58: 2799-808 (2015)


Article DOI: 10.1021/jm501982k
BindingDB Entry DOI: 10.7270/Q28D007C
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))		BDBM50498201
PNG
(CHEMBL3416135)
Show SMILES OC(=O)c1c[nH]c2ccc(Cl)cc12
Show InChI InChI=1S/C9H6ClNO2/c10-5-1-2-8-6(3-5)7(4-11-8)9(12)13/h1-4,11H,(H,12,13)
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 5.70E+6n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE3) using D-Ile-Pro-Arg-pNA as substrate after 30 mins by spectrophoto...

J Med Chem 58: 2799-808 (2015)


Article DOI: 10.1021/jm501982k
BindingDB Entry DOI: 10.7270/Q28D007C
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))		BDBM27507
PNG
(3-Pyridinecarboxamide | CHEMBL1140 | NAM | niacina...)
Show SMILES NC(=O)c1cccnc1
Show InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
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 8.00E+6n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE3) using D-Ile-Pro-Arg-pNA as substrate after 30 mins by spectrophoto...

J Med Chem 58: 2799-808 (2015)


Article DOI: 10.1021/jm501982k
BindingDB Entry DOI: 10.7270/Q28D007C
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))		BDBM50498200
PNG
(CHEMBL3187395)
Show SMILES Clc1ccc2[nH]nnc2c1
Show InChI InChI=1S/C6H4ClN3/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,8,9,10)
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 8.70E+6n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE3) using D-Ile-Pro-Arg-pNA as substrate after 30 mins by spectrophoto...

J Med Chem 58: 2799-808 (2015)


Article DOI: 10.1021/jm501982k
BindingDB Entry DOI: 10.7270/Q28D007C
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))		BDBM50126164
PNG
(CHEMBL3416132)
Show SMILES Clc1ccc2CCNC(=O)c2c1
Show InChI InChI=1S/C9H8ClNO/c10-7-2-1-6-3-4-11-9(12)8(6)5-7/h1-2,5H,3-4H2,(H,11,12)
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 8.90E+6n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE3) using D-Ile-Pro-Arg-pNA as substrate after 30 mins by spectrophoto...

J Med Chem 58: 2799-808 (2015)


Article DOI: 10.1021/jm501982k
BindingDB Entry DOI: 10.7270/Q28D007C
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))		BDBM50498199
PNG
(CHEMBL3416131)
Show SMILES COc1cc(Br)ccc1O
Show InChI InChI=1S/C7H7BrO2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,1H3
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 1.30E+7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE3) using D-Ile-Pro-Arg-pNA as substrate after 30 mins by spectrophoto...

J Med Chem 58: 2799-808 (2015)


Article DOI: 10.1021/jm501982k
BindingDB Entry DOI: 10.7270/Q28D007C
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))		BDBM93017
PNG
(Indole-4-carboxylate)
Show SMILES COC(=O)c1cccc2[nH]ccc12
Show InChI InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-4-9-7(8)5-6-11-9/h2-6,11H,1H3
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 1.30E+7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE3) using D-Ile-Pro-Arg-pNA as substrate after 30 mins by spectrophoto...

J Med Chem 58: 2799-808 (2015)


Article DOI: 10.1021/jm501982k
BindingDB Entry DOI: 10.7270/Q28D007C
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))		BDBM50498198
PNG
(CHEBI:48220 | Dichlorobenzyl alcohol)
Show SMILES OCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C7H6Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2
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 1.30E+7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE3) using D-Ile-Pro-Arg-pNA as substrate after 30 mins by spectrophoto...

J Med Chem 58: 2799-808 (2015)


Article DOI: 10.1021/jm501982k
BindingDB Entry DOI: 10.7270/Q28D007C
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))		BDBM50498203
PNG
(CHEMBL3416130)
Show SMILES CC(O)c1cccc2ccccc12
Show InChI InChI=1S/C12H12O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-9,13H,1H3
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 1.60E+7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE3) using D-Ile-Pro-Arg-pNA as substrate after 30 mins by spectrophoto...

J Med Chem 58: 2799-808 (2015)


Article DOI: 10.1021/jm501982k
BindingDB Entry DOI: 10.7270/Q28D007C
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))		BDBM50498196
PNG
(CHEMBL3416134)
Show SMILES COc1cc(Cl)ccc1O
Show InChI InChI=1S/C7H7ClO2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,1H3
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 1.60E+7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE3) using D-Ile-Pro-Arg-pNA as substrate after 30 mins by spectrophoto...

J Med Chem 58: 2799-808 (2015)


Article DOI: 10.1021/jm501982k
BindingDB Entry DOI: 10.7270/Q28D007C
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))		BDBM50068775
PNG
(2H-Isoquinolin-1-one | CHEMBL339695 | isoquinolin-...)
Show SMILES O=c1[nH]ccc2ccccc12
Show InChI InChI=1S/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11)
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 1.90E+7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE3) using D-Ile-Pro-Arg-pNA as substrate after 30 mins by spectrophoto...

J Med Chem 58: 2799-808 (2015)


Article DOI: 10.1021/jm501982k
BindingDB Entry DOI: 10.7270/Q28D007C
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))		BDBM50106187
PNG
(Benzenecarboxamide | Benzoic acid amide | Benzoyla...)
Show SMILES NC(=O)c1ccccc1
Show InChI InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
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 4.90E+7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE3) using D-Ile-Pro-Arg-pNA as substrate after 30 mins by spectrophoto...

J Med Chem 58: 2799-808 (2015)


Article DOI: 10.1021/jm501982k
BindingDB Entry DOI: 10.7270/Q28D007C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50492385
PNG
(CHEMBL2401994)
Show SMILES Cc1ccc(cc1NC(=O)c1ccc(s1)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC1CC1
Show InChI InChI=1S/C27H27N3O4S/c1-17-2-3-20(25(31)28-21-8-9-21)16-22(17)29-26(32)24-11-10-23(35-24)18-4-6-19(7-5-18)27(33)30-12-14-34-15-13-30/h2-7,10-11,16,21H,8-9,12-15H2,1H3,(H,28,31)(H,29,32)
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n/an/a 0.200n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha expressed in Escherichia coli using MBP as substrate preincubated for 10 mins prior to substrate addition measured after...

Bioorg Med Chem Lett 23: 4120-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.047
BindingDB Entry DOI: 10.7270/Q2FN193N
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50074676
PNG
(CHEMBL3410091)
Show SMILES NC(=O)c1sc(nc1OCC1CC1)-c1ccnc(NC(=O)C2CC2)c1
Show InChI InChI=1S/C17H18N4O3S/c18-14(22)13-16(24-8-9-1-2-9)21-17(25-13)11-5-6-19-12(7-11)20-15(23)10-3-4-10/h5-7,9-10H,1-4,8H2,(H2,18,22)(H,19,20,23)
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n/an/a 0.290n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin) activity by competitive binding assay

Bioorg Med Chem Lett 25: 1856-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.046
BindingDB Entry DOI: 10.7270/Q2222WH5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50074675
PNG
(CHEMBL3410092)
Show SMILES NC(=O)c1sc(nc1OC1CCC1)-c1ccnc(NC(=O)C2CC2)c1
Show InChI InChI=1S/C17H18N4O3S/c18-14(22)13-16(24-11-2-1-3-11)21-17(25-13)10-6-7-19-12(8-10)20-15(23)9-4-5-9/h6-9,11H,1-5H2,(H2,18,22)(H,19,20,23)
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n/an/a 0.370n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin) activity by competitive binding assay

Bioorg Med Chem Lett 25: 1856-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.046
BindingDB Entry DOI: 10.7270/Q2222WH5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM20655
PNG
(N-benzyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]a...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)NCc4ccccc4)c(C)c23)c1
Show InChI InChI=1S/C24H24N6O3/c1-15-9-10-18(23(31)29-33-3)11-20(15)28-22-21-16(2)19(13-30(21)27-14-26-22)24(32)25-12-17-7-5-4-6-8-17/h4-11,13-14H,12H2,1-3H3,(H,25,32)(H,29,31)(H,26,27,28)
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n/an/a 0.400n/a 9.60n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...

J Med Chem 51: 4-16 (2008)


Article DOI: 10.1021/jm7009414
BindingDB Entry DOI: 10.7270/Q23T9FHB
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50074677
PNG
(CHEMBL3410090)
Show SMILES CC(C)Oc1nc(sc1C(N)=O)-c1ccnc(NC(=O)C2CC2)c1
Show InChI InChI=1S/C16H18N4O3S/c1-8(2)23-15-12(13(17)21)24-16(20-15)10-5-6-18-11(7-10)19-14(22)9-3-4-9/h5-9H,3-4H2,1-2H3,(H2,17,21)(H,18,19,22)
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n/an/a 0.450n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin) activity by competitive binding assay

Bioorg Med Chem Lett 25: 1856-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.046
BindingDB Entry DOI: 10.7270/Q2222WH5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))		BDBM50492380
PNG
(CHEMBL2402001)
Show SMILES Cc1ccc(cn1)-c1ccc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C22H21N3O2S/c1-13-3-5-15(21(26)24-17-7-8-17)11-18(13)25-22(27)20-10-9-19(28-20)16-6-4-14(2)23-12-16/h3-6,9-12,17H,7-8H2,1-2H3,(H,24,26)(H,25,27)
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n/an/a 0.720n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p38 MAPK-mediated TNFalpha production in LPS-induced human whole blood preincubated for 5 mins prior to LPS-treatment measured after 6 ...

Bioorg Med Chem Lett 23: 4120-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.047
BindingDB Entry DOI: 10.7270/Q2FN193N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50492384
PNG
(CHEMBL2401995)
Show SMILES Cc1ccc(cc1NC(=O)c1ccc(s1)-c1ccc(cc1)C(=O)N1CCCCC1)C(=O)NC1CC1
Show InChI InChI=1S/C28H29N3O3S/c1-18-5-6-21(26(32)29-22-11-12-22)17-23(18)30-27(33)25-14-13-24(35-25)19-7-9-20(10-8-19)28(34)31-15-3-2-4-16-31/h5-10,13-14,17,22H,2-4,11-12,15-16H2,1H3,(H,29,32)(H,30,33)
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n/an/a 0.800n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha expressed in Escherichia coli using MBP as substrate preincubated for 10 mins prior to substrate addition measured after...

Bioorg Med Chem Lett 23: 4120-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.047
BindingDB Entry DOI: 10.7270/Q2FN193N
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50074576
PNG
(CHEMBL3410111)
Show SMILES CC(C)Oc1nc(ncc1C(N)=O)-c1ccnc(NC(=O)C2CC2)c1
Show InChI InChI=1S/C17H19N5O3/c1-9(2)25-17-12(14(18)23)8-20-15(22-17)11-5-6-19-13(7-11)21-16(24)10-3-4-10/h5-10H,3-4H2,1-2H3,(H2,18,23)(H,19,21,24)
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n/an/a 0.830n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin) activity by competitive binding assay

Bioorg Med Chem Lett 25: 1856-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.046
BindingDB Entry DOI: 10.7270/Q2222WH5
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50544198
PNG
(CHEMBL4636136)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C24H26N6O3S2/c1-15(2)29-21-12-23(30-17-5-8-20-22(11-17)34-14-28-20)27-13-19(21)24(31)26-10-9-16-3-6-18(7-4-16)35(25,32)33/h3-8,11-15H,9-10H2,1-2H3,(H,26,31)(H2,25,32,33)(H2,27,29,30)
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n/an/a 0.900n/an/an/an/an/an/a



Biocon Bristol Myers Squibb Research Center

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)

ACS Med Chem Lett 11: 1402-1409 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00082
BindingDB Entry DOI: 10.7270/Q2542S4M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM20645
PNG
(ethyl 4-{[5-(methoxycarbamoyl)-2-methylphenyl]amin...)
Show SMILES CCOC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C
Show InChI InChI=1S/C19H21N5O4/c1-5-28-19(26)14-9-24-16(12(14)3)17(20-10-21-24)22-15-8-13(7-6-11(15)2)18(25)23-27-4/h6-10H,5H2,1-4H3,(H,23,25)(H,20,21,22)
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n/an/a 0.900n/a 37n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...

J Med Chem 51: 4-16 (2008)


Article DOI: 10.1021/jm7009414
BindingDB Entry DOI: 10.7270/Q23T9FHB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM20650
PNG
(4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-m...)
Show SMILES CCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C
Show InChI InChI=1S/C20H24N6O3/c1-5-8-21-20(28)15-10-26-17(13(15)3)18(22-11-23-26)24-16-9-14(7-6-12(16)2)19(27)25-29-4/h6-7,9-11H,5,8H2,1-4H3,(H,21,28)(H,25,27)(H,22,23,24)
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n/an/a 0.900n/a 30n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...

J Med Chem 51: 4-16 (2008)


Article DOI: 10.1021/jm7009414
BindingDB Entry DOI: 10.7270/Q23T9FHB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM20640
PNG
(methyl 4-{[5-(methoxycarbamoyl)-2-methylphenyl]ami...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)OC)c(C)c23)c1
Show InChI InChI=1S/C18H19N5O4/c1-10-5-6-12(17(24)22-27-4)7-14(10)21-16-15-11(2)13(18(25)26-3)8-23(15)20-9-19-16/h5-9H,1-4H3,(H,22,24)(H,19,20,21)
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n/an/a 1.10n/a 160n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...

J Med Chem 51: 4-16 (2008)


Article DOI: 10.1021/jm7009414
BindingDB Entry DOI: 10.7270/Q23T9FHB
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50074681
PNG
(CHEMBL3410089)
Show SMILES COc1nc(sc1C(N)=O)-c1ccnc(NC(=O)C2CC2)c1
Show InChI InChI=1S/C14H14N4O3S/c1-21-13-10(11(15)19)22-14(18-13)8-4-5-16-9(6-8)17-12(20)7-2-3-7/h4-7H,2-3H2,1H3,(H2,15,19)(H,16,17,20)
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n/an/a 1.10n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin) activity by competitive binding assay

Bioorg Med Chem Lett 25: 1856-63 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.046
BindingDB Entry DOI: 10.7270/Q2222WH5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM20656
PNG
(4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-m...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)NCc4ccccn4)c(C)c23)c1
Show InChI InChI=1S/C23H23N7O3/c1-14-7-8-16(22(31)29-33-3)10-19(14)28-21-20-15(2)18(12-30(20)27-13-26-21)23(32)25-11-17-6-4-5-9-24-17/h4-10,12-13H,11H2,1-3H3,(H,25,32)(H,29,31)(H,26,27,28)
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n/an/a 1.20n/a 2.40n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...

J Med Chem 51: 4-16 (2008)


Article DOI: 10.1021/jm7009414
BindingDB Entry DOI: 10.7270/Q23T9FHB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM20666
PNG
(propan-2-yl N-(4-{[5-(methoxycarbamoyl)-2-methylph...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnn3cc(NC(=O)OC(C)C)c(C)c23)c1
Show InChI InChI=1S/C20H24N6O4/c1-11(2)30-20(28)24-16-9-26-17(13(16)4)18(21-10-22-26)23-15-8-14(7-6-12(15)3)19(27)25-29-5/h6-11H,1-5H3,(H,24,28)(H,25,27)(H,21,22,23)
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n/an/a 1.20n/a 110n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...

J Med Chem 51: 4-16 (2008)


Article DOI: 10.1021/jm7009414
BindingDB Entry DOI: 10.7270/Q23T9FHB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM20665
PNG
(ethyl N-(4-{[5-(methoxycarbamoyl)-2-methylphenyl]a...)
Show SMILES CCOC(=O)Nc1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C
Show InChI InChI=1S/C19H22N6O4/c1-5-29-19(27)23-15-9-25-16(12(15)3)17(20-10-21-25)22-14-8-13(7-6-11(14)2)18(26)24-28-4/h6-10H,5H2,1-4H3,(H,23,27)(H,24,26)(H,20,21,22)
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n/an/a 1.5n/a 26n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...

J Med Chem 51: 4-16 (2008)


Article DOI: 10.1021/jm7009414
BindingDB Entry DOI: 10.7270/Q23T9FHB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))		BDBM50236473
PNG
((R)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbam...)
Show SMILES CC[C@@H](C)Nc1ncc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC
Show InChI InChI=1S/C17H22N4O2S/c1-5-11(3)20-17-19-9-14(24-17)16(23)21-13-8-12(15(22)18-4)7-6-10(13)2/h6-9,11H,5H2,1-4H3,(H,18,22)(H,19,20)(H,21,23)/t11-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human p38beta

Bioorg Med Chem Lett 18: 1762-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.031
BindingDB Entry DOI: 10.7270/Q2057FNW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		CHEMBL5273615
PNG
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))		BDBM50492375
PNG
(CHEMBL2401997)
Show SMILES Cc1ccc(cc1NC(=O)c1ccc(s1)-c1cccnc1)C(=O)NC1CC1
Show InChI InChI=1S/C21H19N3O2S/c1-13-4-5-14(20(25)23-16-6-7-16)11-17(13)24-21(26)19-9-8-18(27-19)15-3-2-10-22-12-15/h2-5,8-12,16H,6-7H2,1H3,(H,23,25)(H,24,26)
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n/an/a 1.70n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p38 MAPK-mediated TNFalpha production in LPS-induced human whole blood preincubated for 5 mins prior to LPS-treatment measured after 6 ...

Bioorg Med Chem Lett 23: 4120-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.047
BindingDB Entry DOI: 10.7270/Q2FN193N
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM50156232
PNG
(CHEMBL3782020)
Show SMILES Cc1ccncc1-c1cccc2n(ncc12)-c1ccccn1
Show InChI InChI=1S/C18H14N4/c1-13-8-10-19-11-15(13)14-5-4-6-17-16(14)12-21-22(17)18-7-2-3-9-20-18/h2-12H,1H3
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP17A1 expressed in HEK293 cell microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity...

ACS Med Chem Lett 7: 40-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00310
BindingDB Entry DOI: 10.7270/Q2TH8PK5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))		BDBM50236473
PNG
((R)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbam...)
Show SMILES CC[C@@H](C)Nc1ncc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC
Show InChI InChI=1S/C17H22N4O2S/c1-5-11(3)20-17-19-9-14(24-17)16(23)21-13-8-12(15(22)18-4)7-6-10(13)2/h6-9,11H,5H2,1-4H3,(H,18,22)(H,19,20)(H,21,23)/t11-/m1/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p38beta expressed in Escherichia coli using MBP as substrate preincubated for 10 mins prior to substrate addition measured after ...

Bioorg Med Chem Lett 23: 4120-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.047
BindingDB Entry DOI: 10.7270/Q2FN193N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50492382
PNG
(CHEMBL2401981)
Show SMILES Cc1ccc(cc1NC(=O)c1ccc(s1)-c1ccc(Cl)cc1)C(=O)NC1CC1
Show InChI InChI=1S/C22H19ClN2O2S/c1-13-2-3-15(21(26)24-17-8-9-17)12-18(13)25-22(27)20-11-10-19(28-20)14-4-6-16(23)7-5-14/h2-7,10-12,17H,8-9H2,1H3,(H,24,26)(H,25,27)
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha expressed in Escherichia coli using MBP as substrate preincubated for 10 mins prior to substrate addition measured after...

Bioorg Med Chem Lett 23: 4120-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.047
BindingDB Entry DOI: 10.7270/Q2FN193N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50331633
PNG
(5-amino-1-butyl-N-(5-(isoxazol-3-ylcarbamoyl)-2-me...)
Show SMILES CCCCn1ncc(C(=O)Nc2cc(ccc2C)C(=O)Nc2ccon2)c1N
Show InChI InChI=1S/C19H22N6O3/c1-3-4-8-25-17(20)14(11-21-25)19(27)22-15-10-13(6-5-12(15)2)18(26)23-16-7-9-28-24-16/h5-7,9-11H,3-4,8,20H2,1-2H3,(H,22,27)(H,23,24,26)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 20: 6886-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.034
BindingDB Entry DOI: 10.7270/Q2BP0319
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50331631
PNG
(5-amino-1-(4-fluorophenyl)-N-(5-(isoxazol-3-ylcarb...)
Show SMILES Cc1ccc(cc1NC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(=O)Nc1ccon1
Show InChI InChI=1S/C21H17FN6O3/c1-12-2-3-13(20(29)26-18-8-9-31-27-18)10-17(12)25-21(30)16-11-24-28(19(16)23)15-6-4-14(22)5-7-15/h2-11H,23H2,1H3,(H,25,30)(H,26,27,29)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 20: 6886-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.034
BindingDB Entry DOI: 10.7270/Q2BP0319
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50331630
PNG
(5-amino-N-(5-(1-ethyl-1H-pyrazol-5-ylcarbamoyl)-2-...)
Show SMILES CCn1nccc1NC(=O)c1ccc(C)c(NC(=O)c2cnn(c2N)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C23H22FN7O2/c1-3-30-20(10-11-26-30)29-22(32)15-5-4-14(2)19(12-15)28-23(33)18-13-27-31(21(18)25)17-8-6-16(24)7-9-17/h4-13H,3,25H2,1-2H3,(H,28,33)(H,29,32)
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 20: 6886-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.034
BindingDB Entry DOI: 10.7270/Q2BP0319
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50331629
PNG
(5-amino-1-(2-fluorophenyl)-N-(5-(isoxazol-3-ylcarb...)
Show SMILES Cc1ccc(cc1NC(=O)c1cnn(c1N)-c1ccccc1F)C(=O)Nc1ccon1
Show InChI InChI=1S/C21H17FN6O3/c1-12-6-7-13(20(29)26-18-8-9-31-27-18)10-16(12)25-21(30)14-11-24-28(19(14)23)17-5-3-2-4-15(17)22/h2-11H,23H2,1H3,(H,25,30)(H,26,27,29)
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 20: 6886-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.034
BindingDB Entry DOI: 10.7270/Q2BP0319
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50331626
PNG
(5-amino-N-(5-(isoxazol-3-ylcarbamoyl)-2-methylphen...)
Show SMILES Cc1ccc(cc1NC(=O)c1cnn(c1N)-c1ccccn1)C(=O)Nc1ccon1
Show InChI InChI=1S/C20H17N7O3/c1-12-5-6-13(19(28)25-16-7-9-30-26-16)10-15(12)24-20(29)14-11-23-27(18(14)21)17-4-2-3-8-22-17/h2-11H,21H2,1H3,(H,24,29)(H,25,26,28)
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha

Bioorg Med Chem Lett 20: 6886-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.034
BindingDB Entry DOI: 10.7270/Q2BP0319
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))		BDBM50236473
PNG
((R)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbam...)
Show SMILES CC[C@@H](C)Nc1ncc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC
Show InChI InChI=1S/C17H22N4O2S/c1-5-11(3)20-17-19-9-14(24-17)16(23)21-13-8-12(15(22)18-4)7-6-10(13)2/h6-9,11H,5H2,1-4H3,(H,18,22)(H,19,20)(H,21,23)/t11-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p38beta (unknown origin)

Bioorg Med Chem Lett 23: 4120-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.047
BindingDB Entry DOI: 10.7270/Q2FN193N
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Macaca fascicularis)		BDBM50391846
PNG
(CHEMBL2147041 | US9133160, 31)
Show SMILES Cc1ccncc1-c1cccc2n(CC(F)(F)F)cnc12
Show InChI InChI=1S/C15H12F3N3/c1-10-5-6-19-7-12(10)11-3-2-4-13-14(11)20-9-21(13)8-15(16,17)18/h2-7,9H,8H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP17A1 in cynomolgus monkey adrenal microsomes using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity a...

ACS Med Chem Lett 7: 40-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00310
BindingDB Entry DOI: 10.7270/Q2TH8PK5
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Macaca fascicularis)		BDBM50156282
PNG
(CHEMBL3780847)
Show SMILES [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)C1CC[C@@]1(C)C2CC=C1c1cccnc1 |r,c:22,t:3|
Show InChI InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21?,22?,23-,24+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP17A1 in cynomolgus monkey using [3H]-pregnenolone as substrate incubated for 45 mins by scintillation proximity assay in presence of...

ACS Med Chem Lett 7: 40-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00310
BindingDB Entry DOI: 10.7270/Q2TH8PK5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50327416
PNG
(1-(2-(2-(2-(dimethylamino)ethylamino)-6-(2-(isopro...)
Show SMILES CNC(=O)NCc1ccccc1-c1cc(nc(NCCN(C)C)n1)-c1cnc(NC(C)C)s1
Show InChI InChI=1S/C23H32N8OS/c1-15(2)28-23-27-14-20(33-23)19-12-18(29-21(30-19)25-10-11-31(4)5)17-9-7-6-8-16(17)13-26-22(32)24-3/h6-9,12,14-15H,10-11,13H2,1-5H3,(H,27,28)(H2,24,26,32)(H,25,29,30)
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bacterially expressed activated p38alpha pre-incubated 10 mins measured after 45 mins by scintillation counting

Bioorg Med Chem Lett 20: 5864-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.102
BindingDB Entry DOI: 10.7270/Q22F7NP6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50236476
PNG
(CHEMBL255482 | N-(5-(ethylcarbamoyl)-2-methylpheny...)
Show SMILES CCCNc1ncc(s1)C(=O)Nc1cc(ccc1C)C(=O)NCC
Show InChI InChI=1S/C17H22N4O2S/c1-4-8-19-17-20-10-14(24-17)16(23)21-13-9-12(7-6-11(13)3)15(22)18-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,22)(H,19,20)(H,21,23)
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha

Bioorg Med Chem Lett 18: 1762-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.031
BindingDB Entry DOI: 10.7270/Q2057FNW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM20657
PNG
(4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-m...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)N[C@@H](C)c4ccccc4)c(C)c23)c1 |r|
Show InChI InChI=1S/C25H26N6O3/c1-15-10-11-19(24(32)30-34-4)12-21(15)29-23-22-16(2)20(13-31(22)27-14-26-23)25(33)28-17(3)18-8-6-5-7-9-18/h5-14,17H,1-4H3,(H,28,33)(H,30,32)(H,26,27,29)/t17-/m0/s1
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n/an/a 2.20n/a 10n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...

J Med Chem 51: 4-16 (2008)


Article DOI: 10.1021/jm7009414
BindingDB Entry DOI: 10.7270/Q23T9FHB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM20653
PNG
(4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-N-(...)
Show SMILES COCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C
Show InChI InChI=1S/C20H24N6O4/c1-12-5-6-14(19(27)25-30-4)9-16(12)24-18-17-13(2)15(10-26(17)23-11-22-18)20(28)21-7-8-29-3/h5-6,9-11H,7-8H2,1-4H3,(H,21,28)(H,25,27)(H,22,23,24)
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n/an/a 2.20n/a 140n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...

J Med Chem 51: 4-16 (2008)


Article DOI: 10.1021/jm7009414
BindingDB Entry DOI: 10.7270/Q23T9FHB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM20657
PNG
(4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-m...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)N[C@@H](C)c4ccccc4)c(C)c23)c1 |r|
Show InChI InChI=1S/C25H26N6O3/c1-15-10-11-19(24(32)30-34-4)12-21(15)29-23-22-16(2)20(13-31(22)27-14-26-23)25(33)28-17(3)18-8-6-5-7-9-18/h5-14,17H,1-4H3,(H,28,33)(H,30,32)(H,26,27,29)/t17-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of bacterially expressed p38alpha pretreated for 10 mins measured after 45 mins

J Med Chem 53: 6629-39 (2010)


Article DOI: 10.1021/jm100540x
BindingDB Entry DOI: 10.7270/Q2JM29T1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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