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Compile Data Set for Download or QSAR

Found 161 hits of ic50 data for polymerid = 4636   
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
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM5645
PNG
(3-(Thien-2-yl)-5-(carbamoylamino)indeno[1,2-c]pyra...)
Show SMILES NC(=O)Nc1cccc2-c3n[nH]c(-c4cccs4)c3C(=O)c12
Show InChI InChI=1S/C15H10N4O2S/c16-15(21)17-8-4-1-3-7-10(8)14(20)11-12(7)18-19-13(11)9-5-2-6-22-9/h1-6H,(H,18,19)(H3,16,17,21)
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n/an/a 150n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5598
PNG
(3-(4-Methylphenyl)-5-(acetamido)indeno[1,2-c]pyraz...)
Show SMILES CC(=O)Nc1cccc2-c3[nH]nc(c3C(=O)c12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H15N3O2/c1-10-6-8-12(9-7-10)17-16-18(22-21-17)13-4-3-5-14(20-11(2)23)15(13)19(16)24/h3-9H,1-2H3,(H,20,23)(H,21,22)
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n/an/a 160n/an/an/an/a7.622



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Biotin carboxylase


(Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)		BDBM50528515
PNG
(CHEMBL4582507)
Show SMILES NC(=O)C1CCN(C1)c1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl |(24.15,-12.57,;24.71,-11.14,;23.75,-9.94,;26.23,-10.91,;27.32,-12.01,;28.7,-11.32,;28.47,-9.79,;26.94,-9.54,;29.57,-8.71,;30.9,-9.48,;32.23,-8.7,;33.57,-9.46,;34.9,-8.69,;36.24,-9.45,;34.89,-7.14,;33.56,-6.38,;32.23,-7.15,;30.9,-6.39,;29.57,-7.16,;28.24,-6.39,;28.24,-4.85,;29.57,-4.08,;26.91,-4.08,;25.57,-4.85,;25.58,-6.4,;26.91,-7.16,;26.96,-8.6,)|
Show InChI InChI=1S/C18H16Cl2N6O/c19-12-2-1-3-13(20)14(12)11-6-10-7-23-18(22)25-16(10)24-17(11)26-5-4-9(8-26)15(21)27/h1-3,6-7,9H,4-5,8H2,(H2,21,27)(H2,22,23,24,25)
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Achaogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged Pseudomonas aeruginosa PAO1 biotin carboxylase expressed in Escherichia coli Rosetta(DE3) pLysS cells...

J Med Chem 62: 7489-7505 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00625
BindingDB Entry DOI: 10.7270/Q2JQ14G4
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5637
PNG
(3-(Thien-2-yl)-5-(acetamido)indeno[1,2-c]pyrazol-4...)
Show SMILES CC(=O)Nc1cccc2-c3n[nH]c(-c4cccs4)c3C(=O)c12
Show InChI InChI=1S/C16H11N3O2S/c1-8(20)17-10-5-2-4-9-12(10)16(21)13-14(9)18-19-15(13)11-6-3-7-22-11/h2-7H,1H3,(H,17,20)(H,18,19)
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n/an/a 180n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Biotin carboxylase


(Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)		BDBM3436
PNG
(6-(2,6-Dibromo-phenyl)-pyrido[2,3-d]pyrimidine-2,7...)
Show SMILES Nc1ncc2cc(c(N)nc2n1)-c1c(Br)cccc1Br |(-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)|
Show InChI InChI=1S/C13H9Br2N5/c14-8-2-1-3-9(15)10(8)7-4-6-5-18-13(17)20-12(6)19-11(7)16/h1-5H,(H4,16,17,18,19,20)
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n/an/a 180n/an/an/an/an/an/a



Achaogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged Pseudomonas aeruginosa PAO1 biotin carboxylase expressed in Escherichia coli Rosetta(DE3) pLysS cells...

J Med Chem 62: 7489-7505 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00625
BindingDB Entry DOI: 10.7270/Q2JQ14G4
More data for this
Ligand-Target Pair
Biotin carboxylase


(Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)		BDBM50528525
PNG
(CHEMBL4440951)
Show SMILES Nc1ncc2cc(c(nc2n1)N1CCC(N)(CO)C1)-c1c(Cl)cccc1Cl |(76.72,-8.93,;75.38,-8.17,;75.37,-6.62,;74.04,-5.86,;72.71,-6.63,;71.38,-5.87,;70.05,-6.64,;70.05,-8.18,;71.38,-8.95,;72.71,-8.17,;74.05,-8.94,;68.95,-9.26,;69.18,-10.79,;67.8,-11.48,;66.72,-10.38,;65.62,-9.28,;65.2,-10.61,;64.64,-12.05,;67.43,-9.01,;68.72,-5.87,;68.72,-4.33,;70.06,-3.56,;67.39,-3.56,;66.06,-4.33,;66.06,-5.88,;67.4,-6.64,;67.44,-8.08,)|
Show InChI InChI=1S/C18H18Cl2N6O/c19-12-2-1-3-13(20)14(12)11-6-10-7-23-17(21)25-15(10)24-16(11)26-5-4-18(22,8-26)9-27/h1-3,6-7,27H,4-5,8-9,22H2,(H2,21,23,24,25)
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n/an/a 190n/an/an/an/an/an/a



Achaogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged Pseudomonas aeruginosa PAO1 biotin carboxylase expressed in Escherichia coli Rosetta(DE3) pLysS cells...

J Med Chem 62: 7489-7505 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00625
BindingDB Entry DOI: 10.7270/Q2JQ14G4
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM5617
PNG
(2-(4-methylpiperazin-1-yl)-N-{3-[4-(morpholin-4-yl...)
Show SMILES CN1CCN(CC(=O)Nc2cccc3-c4n[nH]c(c4C(=O)c23)-c2ccc(cc2)N2CCOCC2)CC1
Show InChI InChI=1S/C27H30N6O3/c1-31-9-11-32(12-10-31)17-22(34)28-21-4-2-3-20-23(21)27(35)24-25(29-30-26(20)24)18-5-7-19(8-6-18)33-13-15-36-16-14-33/h2-8H,9-17H2,1H3,(H,28,34)(H,29,30)
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n/an/a 190n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50303035
PNG
(4-(4-(5-methylthiophen-2-yl)pyrimidin-2-ylamino)be...)
Show SMILES Cc1ccc(s1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C15H14N4O2S2/c1-10-2-7-14(22-10)13-8-9-17-15(19-13)18-11-3-5-12(6-4-11)23(16,20)21/h2-9H,1H3,(H2,16,20,21)(H,17,18,19)
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n/an/a 200n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta

J Med Chem 52: 6962-5 (2009)


Article DOI: 10.1021/jm9014197
BindingDB Entry DOI: 10.7270/Q2HM58JV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5631
PNG
(2-[4-(aminomethyl)piperidin-1-yl]-N-{3-ethyl-4-oxo...)
Show SMILES CCc1[nH]nc2-c3cccc(NC(=O)CN4CCC(CN)CC4)c3C(=O)c12
Show InChI InChI=1S/C20H25N5O2/c1-2-14-18-19(24-23-14)13-4-3-5-15(17(13)20(18)27)22-16(26)11-25-8-6-12(10-21)7-9-25/h3-5,12H,2,6-11,21H2,1H3,(H,22,26)(H,23,24)
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n/an/a 240n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5597
PNG
(3-Phenyl-5-(acetamido)indeno[1,2-c]pyrazol-4-one |...)
Show SMILES CC(=O)Nc1cccc2-c3[nH]nc(c3C(=O)c12)-c1ccccc1
Show InChI InChI=1S/C18H13N3O2/c1-10(22)19-13-9-5-8-12-14(13)18(23)15-16(20-21-17(12)15)11-6-3-2-4-7-11/h2-9H,1H3,(H,19,22)(H,20,21)
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n/an/a 240n/an/an/an/a7.622



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5638
PNG
(3-(3-Methylthien-2-yl)-5-(acetamido)indeno[1,2-c]p...)
Show SMILES CC(=O)Nc1cccc2-c3n[nH]c(-c4sccc4C)c3C(=O)c12
Show InChI InChI=1S/C17H13N3O2S/c1-8-6-7-23-17(8)15-13-14(19-20-15)10-4-3-5-11(18-9(2)21)12(10)16(13)22/h3-7H,1-2H3,(H,18,21)(H,19,20)
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n/an/a 260n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5603
PNG
(Indenopyrazole 5g | Indenopyrazole deriv. 3 | N-[3...)
Show SMILES COc1ccc(cc1)-c1[nH]nc2-c3cccc(NC(C)=O)c3C(=O)c12
Show InChI InChI=1S/C19H15N3O3/c1-10(23)20-14-5-3-4-13-15(14)19(24)16-17(21-22-18(13)16)11-6-8-12(25-2)9-7-11/h3-9H,1-2H3,(H,20,23)(H,21,22)
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n/an/a 270n/an/an/an/a7.622



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5599
PNG
(3-(4-Ethylphenyl)-5-(acetamido)indeno[1,2-c]pyrazo...)
Show SMILES CCc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(C)=O)c3C(=O)c12
Show InChI InChI=1S/C20H17N3O2/c1-3-12-7-9-13(10-8-12)18-17-19(23-22-18)14-5-4-6-15(21-11(2)24)16(14)20(17)25/h4-10H,3H2,1-2H3,(H,21,24)(H,22,23)
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n/an/a 280n/an/an/an/a7.622



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5641
PNG
(3-Ethyl-5-(carbamoylamino)indeno[1,2-c]pyrazol-4-o...)
Show SMILES CCc1[nH]nc2-c3cccc(NC(N)=O)c3C(=O)c12
Show InChI InChI=1S/C13H12N4O2/c1-2-7-10-11(17-16-7)6-4-3-5-8(15-13(14)19)9(6)12(10)18/h3-5H,2H2,1H3,(H,16,17)(H3,14,15,19)
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Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM5648
PNG
(3-(5-Carboethoxythien-2-yl)-5-(carbamoylamino)inde...)
Show SMILES CCOC(=O)c1ccc(s1)-c1[nH]nc2-c3cccc(NC(N)=O)c3C(=O)c12
Show InChI InChI=1S/C18H14N4O4S/c1-2-26-17(24)11-7-6-10(27-11)15-13-14(21-22-15)8-4-3-5-9(20-18(19)25)12(8)16(13)23/h3-7H,2H2,1H3,(H,21,22)(H3,19,20,25)
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n/an/a 300n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM5606
PNG
(3-(4-(N,N-Dimethylamino)phenyl)-5-(acetamido)inden...)
Show SMILES CN(C)c1ccc(cc1)-c1[nH]nc2-c3cccc(NC(C)=O)c3C(=O)c12
Show InChI InChI=1S/C20H18N4O2/c1-11(25)21-15-6-4-5-14-16(15)20(26)17-18(22-23-19(14)17)12-7-9-13(10-8-12)24(2)3/h4-10H,1-3H3,(H,21,25)(H,22,23)
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n/an/a 310n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50303039
PNG
(4-(4-(naphthalen-2-yl)pyrimidin-2-ylamino)benzenes...)
Show SMILES NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C20H16N4O2S/c21-27(25,26)18-9-7-17(8-10-18)23-20-22-12-11-19(24-20)16-6-5-14-3-1-2-4-15(14)13-16/h1-13H,(H2,21,25,26)(H,22,23,24)
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n/an/a 310n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta

J Med Chem 52: 6962-5 (2009)


Article DOI: 10.1021/jm9014197
BindingDB Entry DOI: 10.7270/Q2HM58JV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5606
PNG
(3-(4-(N,N-Dimethylamino)phenyl)-5-(acetamido)inden...)
Show SMILES CN(C)c1ccc(cc1)-c1[nH]nc2-c3cccc(NC(C)=O)c3C(=O)c12
Show InChI InChI=1S/C20H18N4O2/c1-11(25)21-15-6-4-5-14-16(15)20(26)17-18(22-23-19(14)17)12-7-9-13(10-8-12)24(2)3/h4-10H,1-3H3,(H,21,25)(H,22,23)
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n/an/a 320n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Biotin carboxylase


(Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)		BDBM3429
PNG
(6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidine-2,7-...)
Show SMILES Nc1ncc2cc(c(N)nc2n1)-c1c(Cl)cccc1Cl |(-6.11,.68,;-4.78,1.45,;-4.78,2.99,;-3.44,3.76,;-2.11,2.99,;-.77,3.76,;.56,2.99,;.56,1.45,;1.89,.68,;-.77,.68,;-2.11,1.45,;-3.44,.68,;1.89,3.76,;1.89,5.3,;.56,6.07,;3.23,6.07,;4.56,5.3,;4.56,3.76,;3.23,2.99,;3.23,1.45,)|
Show InChI InChI=1S/C13H9Cl2N5/c14-8-2-1-3-9(15)10(8)7-4-6-5-18-13(17)20-12(6)19-11(7)16/h1-5H,(H4,16,17,18,19,20)
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n/an/a 320n/an/an/an/an/an/a



Achaogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged Pseudomonas aeruginosa PAO1 biotin carboxylase expressed in Escherichia coli Rosetta(DE3) pLysS cells...

J Med Chem 62: 7489-7505 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00625
BindingDB Entry DOI: 10.7270/Q2JQ14G4
More data for this
Ligand-Target Pair
Biotin carboxylase


(Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)		BDBM50528517
PNG
(CHEMBL4464608)
Show SMILES NCC1CCN(CC1)c1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl |(66.79,-27.45,;68.28,-27.86,;69.38,-26.78,;69,-25.29,;70.09,-24.21,;71.58,-24.62,;71.98,-26.11,;70.87,-27.2,;72.68,-23.54,;74.02,-24.31,;75.35,-23.53,;76.69,-24.3,;78.02,-23.52,;79.36,-24.29,;78.01,-21.97,;76.68,-21.21,;75.35,-21.99,;74.01,-21.22,;72.69,-21.99,;71.36,-21.23,;71.36,-19.68,;72.69,-18.91,;70.03,-18.91,;68.69,-19.68,;68.7,-21.23,;70.03,-21.99,;70.03,-23.53,)|
Show InChI InChI=1S/C19H20Cl2N6/c20-14-2-1-3-15(21)16(14)13-8-12-10-24-19(23)26-17(12)25-18(13)27-6-4-11(9-22)5-7-27/h1-3,8,10-11H,4-7,9,22H2,(H2,23,24,25,26)
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n/an/a 320n/an/an/an/an/an/a



Achaogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged Pseudomonas aeruginosa PAO1 biotin carboxylase expressed in Escherichia coli Rosetta(DE3) pLysS cells...

J Med Chem 62: 7489-7505 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00625
BindingDB Entry DOI: 10.7270/Q2JQ14G4
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM5609
PNG
(3-(4-Methylthiophenyl)-5-(acetamido)indeno[1,2-c]p...)
Show SMILES CSc1ccc(cc1)-c1[nH]nc2-c3cccc(NC(C)=O)c3C(=O)c12
Show InChI InChI=1S/C19H15N3O2S/c1-10(23)20-14-5-3-4-13-15(14)19(24)16-17(21-22-18(13)16)11-6-8-12(25-2)9-7-11/h3-9H,1-2H3,(H,20,23)(H,21,22)
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n/an/a 340n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM5632
PNG
(2-[4-(aminomethyl)piperidin-1-yl]-N-[4-oxo-3-(prop...)
Show SMILES CC(C)c1[nH]nc2-c3cccc(NC(=O)CN4CCC(CN)CC4)c3C(=O)c12
Show InChI InChI=1S/C21H27N5O2/c1-12(2)19-18-20(25-24-19)14-4-3-5-15(17(14)21(18)28)23-16(27)11-26-8-6-13(10-22)7-9-26/h3-5,12-13H,6-11,22H2,1-2H3,(H,23,27)(H,24,25)
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n/an/a 340n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM5646
PNG
(3-(3-Methylthien-2-yl)-5-(carbamoylamino)indeno[1,...)
Show SMILES Cc1ccsc1-c1[nH]nc2-c3cccc(NC(N)=O)c3C(=O)c12
Show InChI InChI=1S/C16H12N4O2S/c1-7-5-6-23-15(7)13-11-12(19-20-13)8-3-2-4-9(18-16(17)22)10(8)14(11)21/h2-6H,1H3,(H,19,20)(H3,17,18,22)
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n/an/a 350n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM5634
PNG
(2-[4-(aminomethyl)piperidin-1-yl]-N-{3-cyclohexyl-...)
Show SMILES NCC1CCN(CC(=O)Nc2cccc3-c4n[nH]c(C5CCCCC5)c4C(=O)c23)CC1
Show InChI InChI=1S/C24H31N5O2/c25-13-15-9-11-29(12-10-15)14-19(30)26-18-8-4-7-17-20(18)24(31)21-22(27-28-23(17)21)16-5-2-1-3-6-16/h4,7-8,15-16H,1-3,5-6,9-14,25H2,(H,26,30)(H,27,28)
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n/an/a 360n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5608
PNG
(3-(4-Morpholinophenyl)-5-(acetamido)indeno[1,2-c]p...)
Show SMILES CC(=O)Nc1cccc2-c3n[nH]c(c3C(=O)c12)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C22H20N4O3/c1-13(27)23-17-4-2-3-16-18(17)22(28)19-20(24-25-21(16)19)14-5-7-15(8-6-14)26-9-11-29-12-10-26/h2-8H,9-12H2,1H3,(H,23,27)(H,24,25)
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n/an/a 370n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5604
PNG
(3-(4-Ethoxyphenyl)-5-(acetamido)indeno[1,2-c]pyraz...)
Show SMILES CCOc1ccc(cc1)-c1[nH]nc2-c3cccc(NC(C)=O)c3C(=O)c12
Show InChI InChI=1S/C20H17N3O3/c1-3-26-13-9-7-12(8-10-13)18-17-19(23-22-18)14-5-4-6-15(21-11(2)24)16(14)20(17)25/h4-10H,3H2,1-2H3,(H,21,24)(H,22,23)
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n/an/a>400n/an/an/an/a7.622



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM5633
PNG
(2-[4-(aminomethyl)piperidin-1-yl]-N-{3-cyclopropyl...)
Show SMILES NCC1CCN(CC(=O)Nc2cccc3-c4n[nH]c(C5CC5)c4C(=O)c23)CC1
Show InChI InChI=1S/C21H25N5O2/c22-10-12-6-8-26(9-7-12)11-16(27)23-15-3-1-2-14-17(15)21(28)18-19(13-4-5-13)24-25-20(14)18/h1-3,12-13H,4-11,22H2,(H,23,27)(H,24,25)
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n/an/a 430n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Biotin carboxylase


(Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)		BDBM50528521
PNG
(CHEMBL4520904)
Show SMILES NCC1(F)CCN(C1)c1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl |(5.94,-28.39,;6.5,-26.95,;8.03,-26.72,;7.24,-25.38,;9.11,-27.82,;10.49,-27.13,;10.26,-25.61,;8.74,-25.35,;11.36,-24.52,;12.69,-25.29,;14.02,-24.51,;15.36,-25.28,;16.69,-24.51,;18.03,-25.27,;16.68,-22.96,;15.35,-22.2,;14.02,-22.97,;12.69,-22.21,;11.36,-22.98,;10.03,-22.21,;10.03,-20.67,;11.37,-19.9,;8.7,-19.9,;7.37,-20.67,;7.37,-22.22,;8.7,-22.98,;8.75,-24.42,)|
Show InChI InChI=1S/C18H17Cl2FN6/c19-12-2-1-3-13(20)14(12)11-6-10-7-24-17(23)26-15(10)25-16(11)27-5-4-18(21,8-22)9-27/h1-3,6-7H,4-5,8-9,22H2,(H2,23,24,25,26)
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n/an/a 440n/an/an/an/an/an/a



Achaogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged Pseudomonas aeruginosa PAO1 biotin carboxylase expressed in Escherichia coli Rosetta(DE3) pLysS cells...

J Med Chem 62: 7489-7505 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00625
BindingDB Entry DOI: 10.7270/Q2JQ14G4
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM5603
PNG
(Indenopyrazole 5g | Indenopyrazole deriv. 3 | N-[3...)
Show SMILES COc1ccc(cc1)-c1[nH]nc2-c3cccc(NC(C)=O)c3C(=O)c12
Show InChI InChI=1S/C19H15N3O3/c1-10(23)20-14-5-3-4-13-15(14)19(24)16-17(21-22-18(13)16)11-6-8-12(25-2)9-7-11/h3-9H,1-2H3,(H,20,23)(H,21,22)
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n/an/a 450n/an/an/an/a7.622



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5622
PNG
(3-Cyclopropyl-5-(acetamido)indeno[1,2-c]pyrazol-4-...)
Show SMILES CC(=O)Nc1cccc2-c3n[nH]c(C4CC4)c3C(=O)c12
Show InChI InChI=1S/C15H13N3O2/c1-7(19)16-10-4-2-3-9-11(10)15(20)12-13(8-5-6-8)17-18-14(9)12/h2-4,8H,5-6H2,1H3,(H,16,19)(H,17,18)
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n/an/a 480n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5600
PNG
(3-(4-n-Propylphenyl)-5-(acetamido)indeno[1,2-c]pyr...)
Show SMILES CCCc1ccc(cc1)-c1[nH]nc2-c3cccc(NC(C)=O)c3C(=O)c12
Show InChI InChI=1S/C21H19N3O2/c1-3-5-13-8-10-14(11-9-13)19-18-20(24-23-19)15-6-4-7-16(22-12(2)25)17(15)21(18)26/h4,6-11H,3,5H2,1-2H3,(H,22,25)(H,23,24)
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n/an/a 490n/an/an/an/a7.622



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM5598
PNG
(3-(4-Methylphenyl)-5-(acetamido)indeno[1,2-c]pyraz...)
Show SMILES CC(=O)Nc1cccc2-c3[nH]nc(c3C(=O)c12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H15N3O2/c1-10-6-8-12(9-7-10)17-16-18(22-21-17)13-4-3-5-14(20-11(2)23)15(13)19(16)24/h3-9H,1-2H3,(H,20,23)(H,21,22)
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n/an/a 490n/an/an/an/a7.622



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5602
PNG
(3-(4-Hydroxyphenyl)-5-(acetamido)indeno[1,2-c]pyra...)
Show SMILES CC(=O)Nc1cccc2-c3n[nH]c(c3C(=O)c12)-c1ccc(O)cc1
Show InChI InChI=1S/C18H13N3O3/c1-9(22)19-13-4-2-3-12-14(13)18(24)15-16(20-21-17(12)15)10-5-7-11(23)8-6-10/h2-8,23H,1H3,(H,19,22)(H,20,21)
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n/an/a 530n/an/an/an/a7.622



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5601
PNG
(3-(4-n-Butylphenyl)-5-(acetamido)indeno[1,2-c]pyra...)
Show SMILES CCCCc1ccc(cc1)-c1[nH]nc2-c3cccc(NC(C)=O)c3C(=O)c12
Show InChI InChI=1S/C22H21N3O2/c1-3-4-6-14-9-11-15(12-10-14)20-19-21(25-24-20)16-7-5-8-17(23-13(2)26)18(16)22(19)27/h5,7-12H,3-4,6H2,1-2H3,(H,23,26)(H,24,25)
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n/an/a>560n/an/an/an/a7.622



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM5630
PNG
(1-[({3-cyclohexyl-4-oxo-2H,4H-indeno[1,2-c]pyrazol...)
Show SMILES NC(=O)C1CCN(CC(=O)Nc2cccc3-c4n[nH]c(C5CCCCC5)c4C(=O)c23)CC1
Show InChI InChI=1S/C24H29N5O3/c25-24(32)15-9-11-29(12-10-15)13-18(30)26-17-8-4-7-16-19(17)23(31)20-21(27-28-22(16)20)14-5-2-1-3-6-14/h4,7-8,14-15H,1-3,5-6,9-13H2,(H2,25,32)(H,26,30)(H,27,28)
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n/an/a>570n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM5604
PNG
(3-(4-Ethoxyphenyl)-5-(acetamido)indeno[1,2-c]pyraz...)
Show SMILES CCOc1ccc(cc1)-c1[nH]nc2-c3cccc(NC(C)=O)c3C(=O)c12
Show InChI InChI=1S/C20H17N3O3/c1-3-26-13-9-7-12(8-10-13)18-17-19(23-22-18)14-5-4-6-15(21-11(2)24)16(14)20(17)25/h4-10H,3H2,1-2H3,(H,21,24)(H,22,23)
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n/an/a>580n/an/an/an/a7.622



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM5599
PNG
(3-(4-Ethylphenyl)-5-(acetamido)indeno[1,2-c]pyrazo...)
Show SMILES CCc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(C)=O)c3C(=O)c12
Show InChI InChI=1S/C20H17N3O2/c1-3-12-7-9-13(10-8-12)18-17-19(23-22-18)14-5-4-6-15(21-11(2)24)16(14)20(17)25/h4-10H,3H2,1-2H3,(H,21,24)(H,22,23)
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n/an/a 640n/an/an/an/a7.622



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM5607
PNG
(3-(4-Piperidinophenyl)-5-(acetamido)indeno[1,2-c]p...)
Show SMILES CC(=O)Nc1cccc2-c3n[nH]c(c3C(=O)c12)-c1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C23H22N4O2/c1-14(28)24-18-7-5-6-17-19(18)23(29)20-21(25-26-22(17)20)15-8-10-16(11-9-15)27-12-3-2-4-13-27/h5-11H,2-4,12-13H2,1H3,(H,24,28)(H,25,26)
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n/an/a 680n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5635
PNG
(3-(Pyrid-3-yl)-5-(acetamido)indeno[1,2-c]pyrazol-4...)
Show SMILES CC(=O)Nc1cccc2-c3[nH]nc(c3C(=O)c12)-c1cccnc1
Show InChI InChI=1S/C17H12N4O2/c1-9(22)19-12-6-2-5-11-13(12)17(23)14-15(20-21-16(11)14)10-4-3-7-18-8-10/h2-8H,1H3,(H,19,22)(H,20,21)
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n/an/a 770n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM5644
PNG
(3-Cyclohexyl-5-(carbamoylamino)indeno[1,2-c]pyrazo...)
Show SMILES NC(=O)Nc1cccc2-c3n[nH]c(C4CCCCC4)c3C(=O)c12
Show InChI InChI=1S/C17H18N4O2/c18-17(23)19-11-8-4-7-10-12(11)16(22)13-14(20-21-15(10)13)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,20,21)(H3,18,19,23)
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n/an/a>810n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5621
PNG
(3-Isopropyl-5-(acetamido)indeno[1,2-c]pyrazol-4-on...)
Show SMILES CC(C)c1[nH]nc2-c3cccc(NC(C)=O)c3C(=O)c12
Show InChI InChI=1S/C15H15N3O2/c1-7(2)13-12-14(18-17-13)9-5-4-6-10(16-8(3)19)11(9)15(12)20/h4-7H,1-3H3,(H,16,19)(H,17,18)
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n/an/a 840n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM5597
PNG
(3-Phenyl-5-(acetamido)indeno[1,2-c]pyrazol-4-one |...)
Show SMILES CC(=O)Nc1cccc2-c3[nH]nc(c3C(=O)c12)-c1ccccc1
Show InChI InChI=1S/C18H13N3O2/c1-10(22)19-13-9-5-8-12-14(13)18(23)15-16(20-21-17(12)15)11-6-3-2-4-7-11/h2-9H,1H3,(H,19,22)(H,20,21)
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n/an/a 840n/an/an/an/a7.622



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM5652
PNG
(3-(Furan-2-yl)-5-(carbamoylamino)indeno[1,2-c]pyra...)
Show SMILES NC(=O)Nc1cccc2-c3[nH]nc(-c4ccco4)c3C(=O)c12
Show InChI InChI=1S/C15H10N4O3/c16-15(21)17-8-4-1-3-7-10(8)14(20)11-12(7)18-19-13(11)9-5-2-6-22-9/h1-6H,(H,18,19)(H3,16,17,21)
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n/an/a 840n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM5608
PNG
(3-(4-Morpholinophenyl)-5-(acetamido)indeno[1,2-c]p...)
Show SMILES CC(=O)Nc1cccc2-c3n[nH]c(c3C(=O)c12)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C22H20N4O3/c1-13(27)23-17-4-2-3-16-18(17)22(28)19-20(24-25-21(16)19)14-5-7-15(8-6-14)26-9-11-29-12-10-26/h2-8H,9-12H2,1H3,(H,23,27)(H,24,25)
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n/an/a 860n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5607
PNG
(3-(4-Piperidinophenyl)-5-(acetamido)indeno[1,2-c]p...)
Show SMILES CC(=O)Nc1cccc2-c3n[nH]c(c3C(=O)c12)-c1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C23H22N4O2/c1-14(28)24-18-7-5-6-17-19(18)23(29)20-21(25-26-22(17)20)15-8-10-16(11-9-15)27-12-3-2-4-13-27/h5-11H,2-4,12-13H2,1H3,(H,24,28)(H,25,26)
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n/an/a 900n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5625
PNG
(3-t-Butyl-5-(acetamido)indeno[1,2-c]pyrazol-4-one ...)
Show SMILES CC(=O)Nc1cccc2-c3n[nH]c(c3C(=O)c12)C(C)(C)C
Show InChI InChI=1S/C16H17N3O2/c1-8(20)17-10-7-5-6-9-11(10)14(21)12-13(9)18-19-15(12)16(2,3)4/h5-7H,1-4H3,(H,17,20)(H,18,19)
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n/an/a 980n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM5626
PNG
(3-Cyclohexyl-5-(acetamido)indeno[1,2-c]pyrazol-4-o...)
Show SMILES CC(=O)Nc1cccc2-c3n[nH]c(C4CCCCC4)c3C(=O)c12
Show InChI InChI=1S/C18H19N3O2/c1-10(22)19-13-9-5-8-12-14(13)18(23)15-16(20-21-17(12)15)11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7H2,1H3,(H,19,22)(H,20,21)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM5628
PNG
(1-({[4-oxo-3-(propan-2-yl)-2H,4H-indeno[1,2-c]pyra...)
Show SMILES CC(C)c1[nH]nc2-c3cccc(NC(=O)CN4CCC(CC4)C(N)=O)c3C(=O)c12
Show InChI InChI=1S/C21H25N5O3/c1-11(2)18-17-19(25-24-18)13-4-3-5-14(16(13)20(17)28)23-15(27)10-26-8-6-12(7-9-26)21(22)29/h3-5,11-12H,6-10H2,1-2H3,(H2,22,29)(H,23,27)(H,24,25)
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n/an/a>1.30E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM5631
PNG
(2-[4-(aminomethyl)piperidin-1-yl]-N-{3-ethyl-4-oxo...)
Show SMILES CCc1[nH]nc2-c3cccc(NC(=O)CN4CCC(CN)CC4)c3C(=O)c12
Show InChI InChI=1S/C20H25N5O2/c1-2-14-18-19(24-23-14)13-4-3-5-15(17(13)20(18)27)22-16(26)11-25-8-6-12(10-21)7-9-25/h3-5,12H,2,6-11,21H2,1H3,(H,22,26)(H,23,24)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM5636
PNG
(3-(Pyrid-4-yl)-5-(acetamido)indeno[1,2-c]pyrazol-4...)
Show SMILES CC(=O)Nc1cccc2-c3[nH]nc(c3C(=O)c12)-c1ccncc1
Show InChI InChI=1S/C17H12N4O2/c1-9(22)19-12-4-2-3-11-13(12)17(23)14-15(20-21-16(11)14)10-5-7-18-8-6-10/h2-8H,1H3,(H,19,22)(H,20,21)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...

J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair
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