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PubChem AID 644

Compile Data Set for Download or QSAR

Found 206 hits of Enzyme Inhibition Constant Data   
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
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM25470
PNG
(N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]-2,3-dihydro-...)
Show SMILES O=C(Nc1nc(cs1)-c1ccncc1)C1COc2ccccc2O1
Show InChI InChI=1S/C17H13N3O3S/c21-16(15-9-22-13-3-1-2-4-14(13)23-15)20-17-19-12(10-24-17)11-5-7-18-8-6-11/h1-8,10,15H,9H2,(H,19,20,21)
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n/an/a<3.03n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM14027
PNG
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)
Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
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n/an/a 71n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM39263
PNG
(2,6-bis(fluoranyl)-N-pyridin-4-yl-benzamide | 2,6-...)
Show SMILES Fc1cccc(F)c1C(=O)Nc1ccncc1
Show InChI InChI=1S/C12H8F2N2O/c13-9-2-1-3-10(14)11(9)12(17)16-8-4-6-15-7-5-8/h1-7H,(H,15,16,17)
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n/an/a 80n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50216682
PNG
(1-(5-Isoquinolinesulfonyl)-2-methylpiperazine | 1-...)
Show SMILES CC1CNCCN1S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c1-11-9-16-7-8-17(11)20(18,19)14-4-2-3-12-10-15-6-5-13(12)14/h2-6,10-11,16H,7-9H2,1H3
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n/an/a 100n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM39188
PNG
(4,4-Dimethyl-3H,4H-5,11-dioxa-2,3-diaza-cyclopenta...)
Show SMILES CC1(C)Oc2ccc3ccc(=O)oc3c2-c2cn[nH]c12
Show InChI InChI=1S/C15H12N2O3/c1-15(2)14-9(7-16-17-14)12-10(20-15)5-3-8-4-6-11(18)19-13(8)12/h3-7H,1-2H3,(H,16,17)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM37877
PNG
(MLS000033148 | N-[3-[2-[(4-ethyl-5-pyridin-4-yl-1,...)
Show SMILES CCn1c(SCC(=O)Nc2cccc(NC(=O)c3cccs3)c2)nnc1-c1ccncc1
Show InChI InChI=1S/C22H20N6O2S2/c1-2-28-20(15-8-10-23-11-9-15)26-27-22(28)32-14-19(29)24-16-5-3-6-17(13-16)25-21(30)18-7-4-12-31-18/h3-13H,2,14H2,1H3,(H,24,29)(H,25,30)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM37880
PNG
(3-(2-furanylmethyl)-8-methoxy-5H-pyrimido[5,4-b]in...)
Show SMILES COc1ccc2[nH]c3c(ncn(Cc4ccco4)c3=O)c2c1
Show InChI InChI=1S/C16H13N3O3/c1-21-10-4-5-13-12(7-10)14-15(18-13)16(20)19(9-17-14)8-11-3-2-6-22-11/h2-7,9,18H,8H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM39189
PNG
(MLS000073783 | N-[3-[2-[(4-methyl-5-pyridin-4-yl-1...)
Show SMILES Cn1c(SCC(=O)Nc2cccc(NC(=O)c3cccs3)c2)nnc1-c1ccncc1
Show InChI InChI=1S/C21H18N6O2S2/c1-27-19(14-7-9-22-10-8-14)25-26-21(27)31-13-18(28)23-15-4-2-5-16(12-15)24-20(29)17-6-3-11-30-17/h2-12H,13H2,1H3,(H,23,28)(H,24,29)
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n/an/a 661n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM37356
PNG
(1-Phenyl-2-(5-pyridin-4-yl-4H-[1,2,4]triazol-3-yls...)
Show SMILES O=C(CSc1nnc([nH]1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C15H12N4OS/c20-13(11-4-2-1-3-5-11)10-21-15-17-14(18-19-15)12-6-8-16-9-7-12/h1-9H,10H2,(H,17,18,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50182878
PNG
(3-(pyridin-4-yl)-1H-indole | CHEMBL380071 | cid_64...)
Show SMILES c1[nH]c2ccccc2c1-c1ccncc1
Show InChI InChI=1S/C13H10N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-9,15H
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM39324
PNG
(2-fluoranyl-N-pyridin-4-yl-benzamide | 2-fluoro-N-...)
Show SMILES Fc1ccccc1C(=O)Nc1ccncc1
Show InChI InChI=1S/C12H9FN2O/c13-11-4-2-1-3-10(11)12(16)15-9-5-7-14-8-6-9/h1-8H,(H,14,15,16)
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n/an/a 807n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM37913
PNG
(MLS000065710 | N-(5-pyridin-4-yl-1,3,4-thiadiazol-...)
Show SMILES O=C(Cc1cccs1)Nc1nnc(s1)-c1ccncc1
Show InChI InChI=1S/C13H10N4OS2/c18-11(8-10-2-1-7-19-10)15-13-17-16-12(20-13)9-3-5-14-6-4-9/h1-7H,8H2,(H,15,17,18)
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n/an/a 1.13E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM39301
PNG
(MLS000101231 | N,N-dipropyl-7H-purin-6-amine | SMR...)
Show SMILES CCCN(CCC)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C11H17N5/c1-3-5-16(6-4-2)11-9-10(13-7-12-9)14-8-15-11/h7-8H,3-6H2,1-2H3,(H,12,13,14,15)
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n/an/a 1.38E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM37924
PNG
(6-(1-piperidinyl)-7H-purine | 6-piperidin-1-yl-7H-...)
Show SMILES C1CCN(CC1)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C10H13N5/c1-2-4-15(5-3-1)10-8-9(12-6-11-8)13-7-14-10/h6-7H,1-5H2,(H,11,12,13,14)
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n/an/a 1.40E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM37932
PNG
(6-(1-azepanyl)-7H-purine | 6-(azepan-1-yl)-7H-puri...)
Show SMILES C1CCCN(CC1)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C11H15N5/c1-2-4-6-16(5-3-1)11-9-10(13-7-12-9)14-8-15-11/h7-8H,1-6H2,(H,12,13,14,15)
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n/an/a 1.49E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM39231
PNG
(2-(1H-indazol-6-ylsulfamoyl)benzoic acid methyl es...)
Show SMILES COC(=O)c1ccccc1S(=O)(=O)Nc1ccc2cn[nH]c2c1
Show InChI InChI=1S/C15H13N3O4S/c1-22-15(19)12-4-2-3-5-14(12)23(20,21)18-11-7-6-10-9-16-17-13(10)8-11/h2-9,18H,1H3,(H,16,17)
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n/an/a 1.52E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM39290
PNG
(MLS000118826 | N-(4-pyridyl)-1-(8-quinolylsulfonyl...)
Show SMILES O=C(Nc1ccncc1)C1CCCN(C1)S(=O)(=O)c1cccc2cccnc12
Show InChI InChI=1S/C20H20N4O3S/c25-20(23-17-8-11-21-12-9-17)16-6-3-13-24(14-16)28(26,27)18-7-1-4-15-5-2-10-22-19(15)18/h1-2,4-5,7-12,16H,3,6,13-14H2,(H,21,23,25)
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n/an/a 1.73E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM37244
PNG
(2-[(1H-indazol-5-ylamino)methylene]-5,5-dimethyl-c...)
Show SMILES CC1(C)CC(=O)C(=CNc2ccc3[nH]ncc3c2)C(=O)C1 |(3.08,-1.95,;4.62,-1.95,;3.85,-3.28,;4.62,-.41,;5.95,.36,;5.95,1.9,;7.29,-.41,;8.62,.36,;9.95,-.41,;11.29,.36,;11.29,1.9,;12.62,2.67,;13.96,1.9,;15.41,2.37,;16.31,1.13,;15.41,-.11,;13.96,.36,;12.62,-.41,;7.29,-1.95,;8.62,-2.72,;5.95,-2.72,)|
Show InChI InChI=1S/C16H17N3O2/c1-16(2)6-14(20)12(15(21)7-16)9-17-11-3-4-13-10(5-11)8-18-19-13/h3-5,8-9,17H,6-7H2,1-2H3,(H,18,19)
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n/an/a 1.80E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM39312
PNG
(MLS000104902 | N-(4-pyridyl)thiophene-2-carboxamid...)
Show SMILES O=C(Nc1ccncc1)c1cccs1
Show InChI InChI=1S/C10H8N2OS/c13-10(9-2-1-7-14-9)12-8-3-5-11-6-4-8/h1-7H,(H,11,12,13)
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n/an/a 1.91E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM39270
PNG
(2-(2-keto-4-methyl-chromen-7-yl)oxy-N-thiazol-2-yl...)
Show SMILES CC(Oc1ccc2c(C)cc(=O)oc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C16H14N2O4S/c1-9-7-14(19)22-13-8-11(3-4-12(9)13)21-10(2)15(20)18-16-17-5-6-23-16/h3-8,10H,1-2H3,(H,17,18,20)
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n/an/a 1.99E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM39255
PNG
(MLS000063222 | N-(2-chlorophenyl)-2-[(5-pyridin-4-...)
Show SMILES Clc1ccccc1NC(=O)CSc1nnc(o1)-c1ccncc1
Show InChI InChI=1S/C15H11ClN4O2S/c16-11-3-1-2-4-12(11)18-13(21)9-23-15-20-19-14(22-15)10-5-7-17-8-6-10/h1-8H,9H2,(H,18,21)
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n/an/a 1.99E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM37934
PNG
(1-(7H-purin-6-yl)-4-piperidinecarboxylic acid ethy...)
Show SMILES CCOC(=O)C1CCN(CC1)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C13H17N5O2/c1-2-20-13(19)9-3-5-18(6-4-9)12-10-11(15-7-14-10)16-8-17-12/h7-9H,2-6H2,1H3,(H,14,15,16,17)
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n/an/a 2.20E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM39322
PNG
(2-chloranyl-N-(4-hydroxyphenyl)-5-pyrrolidin-1-yls...)
Show SMILES Oc1ccc(NC(=O)c2cc(ccc2Cl)S(=O)(=O)N2CCCC2)cc1
Show InChI InChI=1S/C17H17ClN2O4S/c18-16-8-7-14(25(23,24)20-9-1-2-10-20)11-15(16)17(22)19-12-3-5-13(21)6-4-12/h3-8,11,21H,1-2,9-10H2,(H,19,22)
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n/an/a 2.20E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM37935
PNG
(6-(4-piperonylpiperazino)-7H-purine | 6-[4-(1,3-be...)
Show SMILES C(N1CCN(CC1)c1ncnc2nc[nH]c12)c1ccc2OCOc2c1
Show InChI InChI=1S/C17H18N6O2/c1-2-13-14(25-11-24-13)7-12(1)8-22-3-5-23(6-4-22)17-15-16(19-9-18-15)20-10-21-17/h1-2,7,9-10H,3-6,8,11H2,(H,18,19,20,21)
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n/an/a 2.30E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM39241
PNG
(MLS000090506 | N-[2-methyl-1-(4-pyridylcarbamoyl)p...)
Show SMILES CC(C)C(NC(=O)C1CCCCC1)C(=O)Nc1ccncc1
Show InChI InChI=1S/C17H25N3O2/c1-12(2)15(17(22)19-14-8-10-18-11-9-14)20-16(21)13-6-4-3-5-7-13/h8-13,15H,3-7H2,1-2H3,(H,20,21)(H,18,19,22)
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n/an/a 2.30E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM39284
PNG
(3-pyridyl-[4-(4-pyridyl)thiazol-2-yl]amine | MLS00...)
Show SMILES N(c1nc(cs1)-c1ccncc1)c1cccnc1
Show InChI InChI=1S/C13H10N4S/c1-2-11(8-15-5-1)16-13-17-12(9-18-13)10-3-6-14-7-4-10/h1-9H,(H,16,17)
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n/an/a 2.31E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM35524
PNG
(4-[1-(2-ethenoxyethyl)-2-benzimidazolyl]-1,2,5-oxa...)
Show SMILES Nc1nonc1-c1nc2ccccc2n1CCOC=C
Show InChI InChI=1S/C13H13N5O2/c1-2-19-8-7-18-10-6-4-3-5-9(10)15-13(18)11-12(14)17-20-16-11/h2-6H,1,7-8H2,(H2,14,17)
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n/an/a 2.37E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM37917
PNG
(4-(4-methyl-1-piperazinyl)-2-(4-pyridinyl)quinazol...)
Show SMILES CN1CCN(CC1)c1nc(nc2ccccc12)-c1ccncc1
Show InChI InChI=1S/C18H19N5/c1-22-10-12-23(13-11-22)18-15-4-2-3-5-16(15)20-17(21-18)14-6-8-19-9-7-14/h2-9H,10-13H2,1H3
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n/an/a 2.42E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM31023
PNG
(3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole | CHE...)
Show SMILES C1CC(=CCN1)c1c[nH]c2ccccc12 |c:2|
Show InChI InChI=1S/C13H14N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-5,9,14-15H,6-8H2
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n/an/a 2.53E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM37900
PNG
(8-(7H-purin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane ...)
Show SMILES C1COC2(CCN(CC2)c2ncnc3nc[nH]c23)O1
Show InChI InChI=1S/C12H15N5O2/c1-3-17(4-2-12(1)18-5-6-19-12)11-9-10(14-7-13-9)15-8-16-11/h7-8H,1-6H2,(H,13,14,15,16)
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n/an/a 2.71E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM39277
PNG
(5-[(2-methoxyphenoxy)methyl]-N-(4-pyridyl)-2-furam...)
Show SMILES COc1ccccc1OCc1ccc(o1)C(=O)Nc1ccncc1
Show InChI InChI=1S/C18H16N2O4/c1-22-15-4-2-3-5-16(15)23-12-14-6-7-17(24-14)18(21)20-13-8-10-19-11-9-13/h2-11H,12H2,1H3,(H,19,20,21)
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n/an/a 3.31E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM37927
PNG
(1-(7H-purin-6-yl)-4-piperidinol | 1-(7H-purin-6-yl...)
Show SMILES OC1CCN(CC1)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C10H13N5O/c16-7-1-3-15(4-2-7)10-8-9(12-5-11-8)13-6-14-10/h5-7,16H,1-4H2,(H,11,12,13,14)
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n/an/a 3.33E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM39190
PNG
(Furan-2-carboxylic acid (3-{2-[1-(3-acetyl-phenyl)...)
Show SMILES CC(=O)c1cccc(c1)-n1nnnc1SCC(=O)Nc1cccc(NC(=O)c2ccco2)c1
Show InChI InChI=1S/C22H18N6O4S/c1-14(29)15-5-2-8-18(11-15)28-22(25-26-27-28)33-13-20(30)23-16-6-3-7-17(12-16)24-21(31)19-9-4-10-32-19/h2-12H,13H2,1H3,(H,23,30)(H,24,31)
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n/an/a 3.52E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM39273
PNG
((phenylmethyl) 2-azanyl-3-cyano-5,7-dihydro-4H-thi...)
Show SMILES Nc1sc2CN(CCc2c1C#N)C(=O)OCc1ccccc1
Show InChI InChI=1S/C16H15N3O2S/c17-8-13-12-6-7-19(9-14(12)22-15(13)18)16(20)21-10-11-4-2-1-3-5-11/h1-5H,6-7,9-10,18H2
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n/an/a 3.80E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM37943
PNG
(MLS000104363 | N-[(Z)-3-indolylidenemethyl]hydroxy...)
Show SMILES O=NCc1c[nH]c2ccccc12
Show InChI InChI=1S/C9H8N2O/c12-11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10H,6H2
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n/an/a 4.81E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM39288
PNG
(4-(2-phenoxypropanoylamino)benzamide | 4-[(1-oxo-2...)
Show SMILES CC(Oc1ccccc1)C(=O)Nc1ccc(cc1)C(N)=O
Show InChI InChI=1S/C16H16N2O3/c1-11(21-14-5-3-2-4-6-14)16(20)18-13-9-7-12(8-10-13)15(17)19/h2-11H,1H3,(H2,17,19)(H,18,20)
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n/an/a 4.81E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM39260
PNG
(2-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-...)
Show SMILES Cc1occc1C(=O)Nc1nnc(s1)-c1ccncc1
Show InChI InChI=1S/C13H10N4O2S/c1-8-10(4-7-19-8)11(18)15-13-17-16-12(20-13)9-2-5-14-6-3-9/h2-7H,1H3,(H,15,17,18)
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n/an/a 5.19E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM37918
PNG
(2-furfuryl-[4-(4-pyridyl)thiazol-2-yl]amine | MLS0...)
Show SMILES C(Nc1nc(cs1)-c1ccncc1)c1ccco1
Show InChI InChI=1S/C13H11N3OS/c1-2-11(17-7-1)8-15-13-16-12(9-18-13)10-3-5-14-6-4-10/h1-7,9H,8H2,(H,15,16)
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n/an/a 5.24E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM37911
PNG
(5-methyl-3-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiaz...)
Show SMILES Cc1onc(c1C(=O)Nc1nnc(s1)-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C18H13N5O2S/c1-11-14(15(23-25-11)12-5-3-2-4-6-12)16(24)20-18-22-21-17(26-18)13-7-9-19-10-8-13/h2-10H,1H3,(H,20,22,24)
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n/an/a 5.25E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM37895
PNG
(4-pyridinecarboxylic acid [1-(3-chloroanilino)-1-o...)
Show SMILES CC(OC(=O)c1ccncc1)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C15H13ClN2O3/c1-10(21-15(20)11-5-7-17-8-6-11)14(19)18-13-4-2-3-12(16)9-13/h2-10H,1H3,(H,18,19)
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n/an/a 5.45E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM39242
PNG
(2-(morpholin-4-ylmethyl)indeno[1,2,3-de]phthalazin...)
Show SMILES O=c1n(CN2CCOCC2)nc2-c3ccccc3-c3cccc1c23
Show InChI InChI=1S/C19H17N3O2/c23-19-16-7-3-6-14-13-4-1-2-5-15(13)18(17(14)16)20-22(19)12-21-8-10-24-11-9-21/h1-7H,8-12H2
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n/an/a 5.64E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM37926
PNG
(4-(7H-purin-6-yl)-1-piperazinecarboxylic acid ethy...)
Show SMILES CCOC(=O)N1CCN(CC1)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C12H16N6O2/c1-2-20-12(19)18-5-3-17(4-6-18)11-9-10(14-7-13-9)15-8-16-11/h7-8H,2-6H2,1H3,(H,13,14,15,16)
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n/an/a 5.69E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM37871
PNG
(6-Ethyl-thieno[2,3-d]pyrimidin-4-ol | 6-ethyl-3H-t...)
Show SMILES CCc1cc2c(nc[nH]c2=O)s1
Show InChI InChI=1S/C8H8N2OS/c1-2-5-3-6-7(11)9-4-10-8(6)12-5/h3-4H,2H2,1H3,(H,9,10,11)
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n/an/a 5.72E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM39210
PNG
((7-methylpyrido[2,3]thieno[2,4-d]pyrimidin-4-yl)am...)
Show SMILES Cc1ccc2c(n1)sc1c(N)ncnc21
Show InChI InChI=1S/C10H8N4S/c1-5-2-3-6-7-8(15-10(6)14-5)9(11)13-4-12-7/h2-4H,1H3,(H2,11,12,13)
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n/an/a 5.82E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM39245
PNG
(MLS000091919 | N-(2,3-dihydro-1,4-benzodioxin-2-yl...)
Show SMILES COc1ccc2cc3cc(oc3nc2c1)C(=O)NCC1COc2ccccc2O1
Show InChI InChI=1S/C22H18N2O5/c1-26-15-7-6-13-8-14-9-20(29-22(14)24-17(13)10-15)21(25)23-11-16-12-27-18-4-2-3-5-19(18)28-16/h2-10,16H,11-12H2,1H3,(H,23,25)
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n/an/a 5.88E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM37898
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-thiophen-2-yl-4...)
Show SMILES CCOC(=O)c1nnn(-c2nonc2N)c1-c1cccs1
Show InChI InChI=1S/C11H10N6O3S/c1-2-19-11(18)7-8(6-4-3-5-21-6)17(16-13-7)10-9(12)14-20-15-10/h3-5H,2H2,1H3,(H2,12,14)
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n/an/a 5.98E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM39299
PNG
(3-imidazol-1-ylpropyl(7H-purin-6-yl)amine | CHEMBL...)
Show SMILES C(CNc1ncnc2nc[nH]c12)Cn1ccnc1
Show InChI InChI=1S/C11H13N7/c1(4-18-5-3-12-8-18)2-13-10-9-11(15-6-14-9)17-7-16-10/h3,5-8H,1-2,4H2,(H2,13,14,15,16,17)
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n/an/a 6.18E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50004233
PNG
(5,11-dimethyl-2H-pyrido[4,3-b]carbazole | CHEMBL12...)
Show SMILES Cc1c2[nH]c3ccccc3c2c(C)c2cnccc12
Show InChI InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3
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n/an/a 6.68E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM39317
PNG
(3-fluoranyl-N-pyridin-4-yl-benzamide | 3-fluoro-N-...)
Show SMILES Fc1cccc(c1)C(=O)Nc1ccncc1
Show InChI InChI=1S/C12H9FN2O/c13-10-3-1-2-9(8-10)12(16)15-11-4-6-14-7-5-11/h1-8H,(H,14,15,16)
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n/an/a 6.79E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM37876
PNG
(3-Chloro-6-methoxy-benzo[b]thiophene-2-carboxylic ...)
Show SMILES COc1ccc2c(Cl)c(sc2c1)C(N)=O
Show InChI InChI=1S/C10H8ClNO2S/c1-14-5-2-3-6-7(4-5)15-9(8(6)11)10(12)13/h2-4H,1H3,(H2,12,13)
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n/an/a 6.83E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 206 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%