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Compile Data Set for Download or QSAR

Found 59 hits with Last Name = 'taya' and Initial = 's'   
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
Glutamate receptor ionotropic, NMDA 1


(RAT)		BDBM50123790
PNG
(3-{[4-Aminomethyl-2-(1-carboxy-ethyl)-phenylcarbam...)
Show SMILES C[C@@H](C(O)=O)c1cc(CN)ccc1NC(=O)C[C@@H]1CCc2cc(Cl)cc3[nH]c(C(O)=O)c1c23
Show InChI InChI=1S/C24H24ClN3O5/c1-11(23(30)31)16-6-12(10-26)2-5-17(16)27-19(29)8-14-4-3-13-7-15(25)9-18-20(13)21(14)22(28-18)24(32)33/h2,5-7,9,11,14,28H,3-4,8,10,26H2,1H3,(H,27,29)(H,30,31)(H,32,33)/t11-,14+/m1/s1
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 1n/an/an/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined by displacement of [3H]- DCKA (5,7-dichlorokynurenic acid) in...

J Med Chem 46: 691-701 (2003)


Article DOI: 10.1021/jm020239l
BindingDB Entry DOI: 10.7270/Q2G44PP3
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)		BDBM50123790
PNG
(3-{[4-Aminomethyl-2-(1-carboxy-ethyl)-phenylcarbam...)
Show SMILES C[C@@H](C(O)=O)c1cc(CN)ccc1NC(=O)C[C@@H]1CCc2cc(Cl)cc3[nH]c(C(O)=O)c1c23
Show InChI InChI=1S/C24H24ClN3O5/c1-11(23(30)31)16-6-12(10-26)2-5-17(16)27-19(29)8-14-4-3-13-7-15(25)9-18-20(13)21(14)22(28-18)24(32)33/h2,5-7,9,11,14,28H,3-4,8,10,26H2,1H3,(H,27,29)(H,30,31)(H,32,33)/t11-,14+/m1/s1
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 11n/an/an/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined by displacement of [3H]- glycine in rat cortical membranes

J Med Chem 46: 691-701 (2003)


Article DOI: 10.1021/jm020239l
BindingDB Entry DOI: 10.7270/Q2G44PP3
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)		BDBM50073956
PNG
(CHEMBL85567 | {5-Aminomethyl-2-[2-((S)-9-chloro-2,...)
Show SMILES NCc1ccc(NC(=O)C[C@@H]2CCc3cc(Cl)cc4[nH]c(=O)c(=O)n2c34)c(OCC(O)=O)c1
Show InChI InChI=1S/C22H21ClN4O6/c23-13-6-12-2-3-14(27-20(12)16(7-13)26-21(31)22(27)32)8-18(28)25-15-4-1-11(9-24)5-17(15)33-10-19(29)30/h1,4-7,14H,2-3,8-10,24H2,(H,25,28)(H,26,31)(H,29,30)/t14-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined by displacement of tritium labeled selective glycine antagonist [3H]-...

J Med Chem 46: 691-701 (2003)


Article DOI: 10.1021/jm020239l
BindingDB Entry DOI: 10.7270/Q2G44PP3
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)		BDBM50123792
PNG
(3-[(4-Aminomethyl-2-carboxymethyl-phenylcarbamoyl)...)
Show SMILES NCc1ccc(NC(=O)C[C@@H]2CCc3cc(Cl)cc4[nH]c(C(O)=O)c2c34)c(CC(O)=O)c1
Show InChI InChI=1S/C23H22ClN3O5/c24-15-6-12-2-3-13(21-20(12)17(9-15)27-22(21)23(31)32)7-18(28)26-16-4-1-11(10-25)5-14(16)8-19(29)30/h1,4-6,9,13,27H,2-3,7-8,10,25H2,(H,26,28)(H,29,30)(H,31,32)/t13-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined by displacement of tritium labeled selective glycine antagonist [3H]-...

J Med Chem 46: 691-701 (2003)


Article DOI: 10.1021/jm020239l
BindingDB Entry DOI: 10.7270/Q2G44PP3
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)		BDBM50123790
PNG
(3-{[4-Aminomethyl-2-(1-carboxy-ethyl)-phenylcarbam...)
Show SMILES C[C@@H](C(O)=O)c1cc(CN)ccc1NC(=O)C[C@@H]1CCc2cc(Cl)cc3[nH]c(C(O)=O)c1c23
Show InChI InChI=1S/C24H24ClN3O5/c1-11(23(30)31)16-6-12(10-26)2-5-17(16)27-19(29)8-14-4-3-13-7-15(25)9-18-20(13)21(14)22(28-18)24(32)33/h2,5-7,9,11,14,28H,3-4,8,10,26H2,1H3,(H,27,29)(H,30,31)(H,32,33)/t11-,14+/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined by displacement of tritium labeled selective glycine antagonist [3H]-...

J Med Chem 46: 691-701 (2003)


Article DOI: 10.1021/jm020239l
BindingDB Entry DOI: 10.7270/Q2G44PP3
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)		BDBM50123796
PNG
(3-[(2-Carboxymethyl-phenylcarbamoyl)-methyl]-7-chl...)
Show SMILES OC(=O)Cc1ccccc1NC(=O)C[C@@H]1CCc2cc(Cl)cc3[nH]c(C(O)=O)c1c23
Show InChI InChI=1S/C22H19ClN2O5/c23-14-7-12-5-6-13(20-19(12)16(10-14)25-21(20)22(29)30)8-17(26)24-15-4-2-1-3-11(15)9-18(27)28/h1-4,7,10,13,25H,5-6,8-9H2,(H,24,26)(H,27,28)(H,29,30)/t13-/m0/s1
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n/an/a 7.60n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined by displacement of tritium labeled selective glycine antagonist [3H]-...

J Med Chem 46: 691-701 (2003)


Article DOI: 10.1021/jm020239l
BindingDB Entry DOI: 10.7270/Q2G44PP3
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)		BDBM50123791
PNG
(3-[(4-Aminomethyl-phenylcarbamoyl)-methyl]-7-chlor...)
Show SMILES NCc1ccc(NC(=O)C[C@@H]2CCc3cc(Cl)cc4[nH]c(C(O)=O)c2c34)cc1
Show InChI InChI=1S/C21H20ClN3O3/c22-14-7-12-3-4-13(19-18(12)16(9-14)25-20(19)21(27)28)8-17(26)24-15-5-1-11(10-23)2-6-15/h1-2,5-7,9,13,25H,3-4,8,10,23H2,(H,24,26)(H,27,28)/t13-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined by displacement of tritium labeled selective glycine antagonist [3H]-...

J Med Chem 46: 691-701 (2003)


Article DOI: 10.1021/jm020239l
BindingDB Entry DOI: 10.7270/Q2G44PP3
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)		BDBM50123795
PNG
(7-Chloro-3-phenylcarbamoylmethyl-1,3,4,5-tetrahydr...)
Show SMILES OC(=O)c1[nH]c2cc(Cl)cc3CC[C@@H](CC(=O)Nc4ccccc4)c1c23
Show InChI InChI=1S/C20H17ClN2O3/c21-13-8-11-6-7-12(9-16(24)22-14-4-2-1-3-5-14)18-17(11)15(10-13)23-19(18)20(25)26/h1-5,8,10,12,23H,6-7,9H2,(H,22,24)(H,25,26)/t12-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined by displacement of tritium labeled selective glycine antagonist [3H]-...

J Med Chem 46: 691-701 (2003)


Article DOI: 10.1021/jm020239l
BindingDB Entry DOI: 10.7270/Q2G44PP3
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))		BDBM50197913
PNG
((3R)-N-[1-(3-aminobenzyl)-3-pyrrolidyl]-N-(5-isoqu...)
Show SMILES Nc1cccc(CN2CC[C@H](C2)Nc2cccc3cnccc23)c1
Show InChI InChI=1S/C20H22N4/c21-17-5-1-3-15(11-17)13-24-10-8-18(14-24)23-20-6-2-4-16-12-22-9-7-19(16)20/h1-7,9,11-12,18,23H,8,10,13-14,21H2/t18-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase

Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)		BDBM50123794
PNG
(3-{[4-Aminomethyl-2-(1-carboxy-ethyl)-phenylcarbam...)
Show SMILES C[C@H](C(O)=O)c1cc(CN)ccc1NC(=O)C[C@@H]1CCc2cc(Cl)cc3[nH]c(C(O)=O)c1c23
Show InChI InChI=1S/C24H24ClN3O5/c1-11(23(30)31)16-6-12(10-26)2-5-17(16)27-19(29)8-14-4-3-13-7-15(25)9-18-20(13)21(14)22(28-18)24(32)33/h2,5-7,9,11,14,28H,3-4,8,10,26H2,1H3,(H,27,29)(H,30,31)(H,32,33)/t11-,14-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined by displacement of tritium labeled selective glycine antagonist [3H]-...

J Med Chem 46: 691-701 (2003)


Article DOI: 10.1021/jm020239l
BindingDB Entry DOI: 10.7270/Q2G44PP3
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)		BDBM50123793
PNG
(3-[(4-Aminomethyl-2-carboxymethoxy-phenylcarbamoyl...)
Show SMILES NCc1ccc(NC(=O)C[C@@H]2CCc3cc(Cl)cc4[nH]c(C(O)=O)c2c34)c(OCC(O)=O)c1
Show InChI InChI=1S/C23H22ClN3O6/c24-14-6-12-2-3-13(21-20(12)16(8-14)27-22(21)23(31)32)7-18(28)26-15-4-1-11(9-25)5-17(15)33-10-19(29)30/h1,4-6,8,13,27H,2-3,7,9-10,25H2,(H,26,28)(H,29,30)(H,31,32)/t13-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined by displacement of tritium labeled selective glycine antagonist [3H]-...

J Med Chem 46: 691-701 (2003)


Article DOI: 10.1021/jm020239l
BindingDB Entry DOI: 10.7270/Q2G44PP3
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)		BDBM50123793
PNG
(3-[(4-Aminomethyl-2-carboxymethoxy-phenylcarbamoyl...)
Show SMILES NCc1ccc(NC(=O)C[C@@H]2CCc3cc(Cl)cc4[nH]c(C(O)=O)c2c34)c(OCC(O)=O)c1
Show InChI InChI=1S/C23H22ClN3O6/c24-14-6-12-2-3-13(21-20(12)16(8-14)27-22(21)23(31)32)7-18(28)26-15-4-1-11(9-25)5-17(15)33-10-19(29)30/h1,4-6,8,13,27H,2-3,7,9-10,25H2,(H,26,28)(H,29,30)(H,31,32)/t13-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Affinity for glycine site of N-methyl-D-aspartate glutamate receptor determined by displacement of tritium labeled selective glycine antagonist [3H]-...

J Med Chem 46: 691-701 (2003)


Article DOI: 10.1021/jm020239l
BindingDB Entry DOI: 10.7270/Q2G44PP3
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))		BDBM50197914
PNG
(CHEMBL375556 | N-(1-(4-chlorobenzyl)pyrrolidin-3-y...)
Show SMILES Clc1ccc(CN2CCC(C2)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H20ClN3/c21-17-6-4-15(5-7-17)13-24-11-9-18(14-24)23-20-3-1-2-16-12-22-10-8-19(16)20/h1-8,10,12,18,23H,9,11,13-14H2
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n/an/a 65n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase

Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))		BDBM50197915
PNG
(CHEMBL223815 | N-(1-(3-chlorobenzyl)pyrrolidin-3-y...)
Show SMILES Clc1cccc(CN2CCC(C2)Nc2cccc3cnccc23)c1
Show InChI InChI=1S/C20H20ClN3/c21-17-5-1-3-15(11-17)13-24-10-8-18(14-24)23-20-6-2-4-16-12-22-9-7-19(16)20/h1-7,9,11-12,18,23H,8,10,13-14H2
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n/an/a 65n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase

Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))		BDBM50197922
PNG
(CHEMBL224361 | N1-cyclopropyl-N4-(5-isoquinolyl)-1...)
Show SMILES C1CC1N[C@H]1CC[C@@H](CC1)Nc1cccc2cnccc12 |wU:7.11,wD:4.4,(33.09,-14.61,;34.63,-14.61,;33.86,-13.28,;33.85,-11.74,;32.52,-10.97,;32.52,-9.43,;31.18,-8.65,;29.85,-9.44,;29.85,-10.98,;31.18,-11.74,;28.51,-8.67,;27.18,-9.45,;27.19,-11,;25.85,-11.77,;24.51,-11,;24.52,-9.46,;23.19,-8.7,;23.18,-7.17,;24.51,-6.39,;25.84,-7.16,;25.84,-8.69,)|
Show InChI InChI=1S/C18H23N3/c1-2-13-12-19-11-10-17(13)18(3-1)21-16-8-6-15(7-9-16)20-14-4-5-14/h1-3,10-12,14-16,20-21H,4-9H2/t15-,16-
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n/an/a 70n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase

Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))		BDBM50197907
PNG
(CHEMBL387954 | N-(1-(2,6-difluorobenzyl)pyrrolidin...)
Show SMILES Fc1cccc(F)c1CN1CCC(C1)Nc1cccc2cnccc12
Show InChI InChI=1S/C20H19F2N3/c21-18-4-2-5-19(22)17(18)13-25-10-8-15(12-25)24-20-6-1-3-14-11-23-9-7-16(14)20/h1-7,9,11,15,24H,8,10,12-13H2
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n/an/a 75n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase

Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 90n/an/an/an/an/an/a



Mahidol University

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2 kinase domain expressed in SF9 cells by TR-FRET assay

Bioorg Med Chem Lett 23: 2962-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.042
BindingDB Entry DOI: 10.7270/Q2028VGZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Rho-associated protein kinase 1/2


(Homo sapiens (Human))		BDBM50197900
PNG
(CHEMBL223336 | N-(1-(4-fluorobenzyl)pyrrolidin-3-y...)
Show SMILES Fc1ccc(CN2CCC(C2)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H20FN3/c21-17-6-4-15(5-7-17)13-24-11-9-18(14-24)23-20-3-1-2-16-12-22-10-8-19(16)20/h1-8,10,12,18,23H,9,11,13-14H2
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n/an/a 95n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase

Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))		BDBM50197901
PNG
(CHEMBL389926 | N-(1-(2-chlorobenzyl)pyrrolidin-3-y...)
Show SMILES Clc1ccccc1CN1CCC(C1)Nc1cccc2cnccc12
Show InChI InChI=1S/C20H20ClN3/c21-19-6-2-1-4-16(19)13-24-11-9-17(14-24)23-20-7-3-5-15-12-22-10-8-18(15)20/h1-8,10,12,17,23H,9,11,13-14H2
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n/an/a 100n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase

Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))		BDBM50197919
PNG
(CHEMBL224505 | N-(1-benzyl-4-piperidyl)-N-(5-isoqu...)
Show SMILES C(N1CCC(CC1)Nc1cccc2cnccc12)c1ccccc1
Show InChI InChI=1S/C21H23N3/c1-2-5-17(6-3-1)16-24-13-10-19(11-14-24)23-21-8-4-7-18-15-22-12-9-20(18)21/h1-9,12,15,19,23H,10-11,13-14,16H2
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n/an/a 140n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase

Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(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 180n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase

Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Rho-associated protein kinase 1/2


(Homo sapiens (Human))		BDBM50197920
PNG
(CHEMBL266512 | N1-propyl-N4-(5-isoquinolyl)-1,4-cy...)
Show SMILES CCCN[C@H]1CC[C@@H](CC1)Nc1cccc2cnccc12 |wU:7.10,wD:4.3,(5.83,-10.31,;4.49,-11.09,;3.16,-10.32,;1.82,-11.09,;.49,-10.32,;.49,-8.78,;-.85,-8,;-2.18,-8.79,;-2.18,-10.33,;-.84,-11.09,;-3.51,-8.02,;-4.85,-8.8,;-4.84,-10.35,;-6.18,-11.12,;-7.51,-10.35,;-7.51,-8.81,;-8.83,-8.05,;-8.84,-6.52,;-7.52,-5.74,;-6.19,-6.51,;-6.18,-8.04,)|
Show InChI InChI=1S/C18H25N3/c1-2-11-20-15-6-8-16(9-7-15)21-18-5-3-4-14-13-19-12-10-17(14)18/h3-5,10,12-13,15-16,20-21H,2,6-9,11H2,1H3/t15-,16-
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n/an/a 180n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase

Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))		BDBM50197911
PNG
(CHEMBL224360 | N1-propyl-N4-(5-isoquinolyl)-1,4-cy...)
Show SMILES CCCN[C@H]1CC[C@H](CC1)Nc1cccc2cnccc12 |wU:7.10,4.3,(20.98,-9.84,;19.65,-10.62,;18.32,-9.85,;16.98,-10.62,;15.65,-9.85,;14.31,-10.62,;12.98,-9.86,;12.98,-8.32,;14.31,-7.54,;15.65,-8.31,;11.64,-7.55,;10.31,-8.33,;10.32,-9.88,;8.98,-10.65,;7.65,-9.88,;7.65,-8.34,;6.33,-7.58,;6.32,-6.05,;7.64,-5.28,;8.97,-6.04,;8.98,-7.57,)|
Show InChI InChI=1S/C18H25N3/c1-2-11-20-15-6-8-16(9-7-15)21-18-5-3-4-14-13-19-12-10-17(14)18/h3-5,10,12-13,15-16,20-21H,2,6-9,11H2,1H3/t15-,16+
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Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase

Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))		BDBM50197902
PNG
(CHEMBL225492 | N-(1-(4-chlorobenzyl)piperidin-3-yl...)
Show SMILES Clc1ccc(CN2CCCC(C2)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C21H22ClN3/c22-18-8-6-16(7-9-18)14-25-12-2-4-19(15-25)24-21-5-1-3-17-13-23-11-10-20(17)21/h1,3,5-11,13,19,24H,2,4,12,14-15H2
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Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase

Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))		BDBM50197921
PNG
(CHEMBL375735 | N1-cyclopropyl-N4-(5-isoquinolyl)-1...)
Show SMILES C1CC1N[C@H]1CC[C@H](CC1)Nc1cccc2cnccc12 |wU:7.11,4.4,(.53,-21.84,;2.07,-21.84,;1.3,-20.51,;1.3,-18.97,;-.04,-18.2,;-1.37,-18.97,;-2.7,-18.21,;-2.71,-16.67,;-1.38,-15.88,;-.04,-16.66,;-4.05,-15.9,;-5.38,-16.68,;-5.37,-18.23,;-6.71,-19,;-8.04,-18.23,;-8.04,-16.69,;-9.37,-15.93,;-9.38,-14.4,;-8.05,-13.62,;-6.72,-14.39,;-6.71,-15.92,)|
Show InChI InChI=1S/C18H23N3/c1-2-13-12-19-11-10-17(13)18(3-1)21-16-8-6-15(7-9-16)20-14-4-5-14/h1-3,10-12,14-16,20-21H,4-9H2/t15-,16+
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n/an/a 195n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase

Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))		BDBM50197904
PNG
(CHEMBL388285 | N-(1-(2-aminobenzyl)pyrrolidin-3-yl...)
Show SMILES Nc1ccccc1CN1CCC(C1)Nc1cccc2cnccc12
Show InChI InChI=1S/C20H22N4/c21-19-6-2-1-4-16(19)13-24-11-9-17(14-24)23-20-7-3-5-15-12-22-10-8-18(15)20/h1-8,10,12,17,23H,9,11,13-14,21H2
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n/an/a 205n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase

Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))		BDBM50197906
PNG
(CHEMBL224508 | N-(1-(2-chlorobenzyl)piperidin-3-yl...)
Show SMILES Clc1ccccc1CN1CCCC(C1)Nc1cccc2cnccc12
Show InChI InChI=1S/C21H22ClN3/c22-20-8-2-1-5-17(20)14-25-12-4-7-18(15-25)24-21-9-3-6-16-13-23-11-10-19(16)21/h1-3,5-6,8-11,13,18,24H,4,7,12,14-15H2
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n/an/a 210n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase

Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))		BDBM50197908
PNG
(CHEMBL375882 | N-(1-isobutyl-4-piperidyl)-N-(5-iso...)
Show SMILES CC(C)CN1CCC(CC1)Nc1cccc2cnccc12
Show InChI InChI=1S/C18H25N3/c1-14(2)13-21-10-7-16(8-11-21)20-18-5-3-4-15-12-19-9-6-17(15)18/h3-6,9,12,14,16,20H,7-8,10-11,13H2,1-2H3
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n/an/a 210n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase

Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))		BDBM50197903
PNG
(CHEMBL223907 | N-(1-(4-aminobenzyl)pyrrolidin-3-yl...)
Show SMILES Nc1ccc(CN2CCC(C2)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H22N4/c21-17-6-4-15(5-7-17)13-24-11-9-18(14-24)23-20-3-1-2-16-12-22-10-8-19(16)20/h1-8,10,12,18,23H,9,11,13-14,21H2
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Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase

Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))		BDBM50197909
PNG
(CHEMBL389254 | N-(1-(3-chlorobenzyl)piperidin-3-yl...)
Show SMILES Clc1cccc(CN2CCCC(C2)Nc2cccc3cnccc23)c1
Show InChI InChI=1S/C21H22ClN3/c22-18-6-1-4-16(12-18)14-25-11-3-7-19(15-25)24-21-8-2-5-17-13-23-10-9-20(17)21/h1-2,4-6,8-10,12-13,19,24H,3,7,11,14-15H2
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Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase

Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))		BDBM50197905
PNG
(CHEMBL375736 | N-(1-isopentyl-3-pyrrolidyl)-N-(5-i...)
Show SMILES CC(C)CCN1CCCC(C1)Nc1cccc2cnccc12
Show InChI InChI=1S/C19H27N3/c1-15(2)9-12-22-11-4-6-17(14-22)21-19-7-3-5-16-13-20-10-8-18(16)19/h3,5,7-8,10,13,15,17,21H,4,6,9,11-12,14H2,1-2H3
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Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase

Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))		BDBM50197910
PNG
(CHEMBL373759 | N-(1-(3-aminobenzyl)pyrrolidin-3-yl...)
Show SMILES Nc1cccc(CN2CCC(C2)Nc2cccc3cnccc23)c1
Show InChI InChI=1S/C20H22N4/c21-17-5-1-3-15(11-17)13-24-10-8-18(14-24)23-20-6-2-4-16-12-22-9-7-19(16)20/h1-7,9,11-12,18,23H,8,10,13-14,21H2
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Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase

Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))		BDBM50197912
PNG
((3S)-N-[1-(3-aminobenzyl)-3-pyrrolidyl]-N-(5-isoqu...)
Show SMILES Nc1cccc(CN2CC[C@@H](C2)Nc2cccc3cnccc23)c1
Show InChI InChI=1S/C20H22N4/c21-17-5-1-3-15(11-17)13-24-10-8-18(14-24)23-20-6-2-4-16-12-22-9-7-19(16)20/h1-7,9,11-12,18,23H,8,10,13-14,21H2/t18-/m0/s1
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Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase

Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))		BDBM50197918
PNG
(CHEMBL224472 | N-(1-ethylpiperidin-4-yl)isoquinoli...)
Show SMILES CCCN1CCC(CC1)Nc1cccc2cnccc12
Show InChI InChI=1S/C17H23N3/c1-2-10-20-11-7-15(8-12-20)19-17-5-3-4-14-13-18-9-6-16(14)17/h3-6,9,13,15,19H,2,7-8,10-12H2,1H3
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Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase

Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))		BDBM50197917
PNG
(CHEMBL224362 | N1-phenylethyl-N4-(5-isoquinolyl)-1...)
Show SMILES C(Cc1ccccc1)N[C@H]1CC[C@@H](CC1)Nc1cccc2cnccc12 |wU:12.16,wD:9.9,(17.04,-20.38,;18.37,-21.15,;18.38,-22.69,;17.04,-23.45,;17.04,-24.99,;18.37,-25.76,;19.71,-24.98,;19.7,-23.45,;17.04,-18.84,;15.7,-18.07,;15.7,-16.53,;14.36,-15.76,;13.04,-16.54,;13.04,-18.08,;14.37,-18.84,;11.7,-15.78,;10.37,-16.55,;10.38,-18.1,;9.04,-18.88,;7.7,-18.1,;7.71,-16.56,;6.38,-15.8,;6.37,-14.28,;7.7,-13.5,;9.03,-14.26,;9.03,-15.79,)|
Show InChI InChI=1S/C23H27N3/c1-2-5-18(6-3-1)13-16-25-20-9-11-21(12-10-20)26-23-8-4-7-19-17-24-15-14-22(19)23/h1-8,14-15,17,20-21,25-26H,9-13,16H2/t20-,21-
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Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase

Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50491277
PNG
(CHEMBL2381858)
Show SMILES ClCc1cccc(NC(=O)NCc2cn(nn2)-c2ccc3cn[nH]c3c2)c1
Show InChI InChI=1S/C18H16ClN7O/c19-8-12-2-1-3-14(6-12)22-18(27)20-10-15-11-26(25-23-15)16-5-4-13-9-21-24-17(13)7-16/h1-7,9,11H,8,10H2,(H,21,24)(H2,20,22,27)
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Mahidol University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR2 expressed in insect cells using Ulight-CAGAGAIETDKEYYTVKD as substrate after 15 to 60 mins by fluorescence ass...

Bioorg Med Chem Lett 23: 2962-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.042
BindingDB Entry DOI: 10.7270/Q2028VGZ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))		BDBM50197916
PNG
(CHEMBL224417 | N1-phenylethyl-N4-(5-isoquinolyl)-1...)
Show SMILES C(Cc1ccccc1)N[C@H]1CC[C@H](CC1)Nc1cccc2cnccc12 |wU:9.9,12.16,(34.15,-21.65,;35.48,-22.42,;35.48,-23.96,;34.14,-24.72,;34.14,-26.26,;35.48,-27.03,;36.82,-26.25,;36.81,-24.72,;34.14,-20.11,;32.81,-19.34,;31.47,-20.11,;30.14,-19.35,;30.14,-17.81,;31.47,-17.03,;32.81,-17.8,;28.8,-17.04,;27.47,-17.82,;27.48,-19.37,;26.14,-20.14,;24.81,-19.37,;24.81,-17.83,;23.49,-17.07,;23.48,-15.54,;24.8,-14.77,;26.13,-15.53,;26.14,-17.06,)|
Show InChI InChI=1S/C23H27N3/c1-2-5-18(6-3-1)13-16-25-20-9-11-21(12-10-20)26-23-8-4-7-19-17-24-15-14-22(19)23/h1-8,14-15,17,20-21,25-26H,9-13,16H2/t20-,21+
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n/an/a 580n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Rho kinase

Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50197913
PNG
((3R)-N-[1-(3-aminobenzyl)-3-pyrrolidyl]-N-(5-isoqu...)
Show SMILES Nc1cccc(CN2CC[C@H](C2)Nc2cccc3cnccc23)c1
Show InChI InChI=1S/C20H22N4/c21-17-5-1-3-15(11-17)13-24-10-8-18(14-24)23-20-6-2-4-16-12-22-9-7-19(16)20/h1-7,9,11-12,18,23H,8,10,13-14,21H2/t18-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MCP1-induced chemotaxis in U937 cells overexpressing CCR2

Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50197907
PNG
(CHEMBL387954 | N-(1-(2,6-difluorobenzyl)pyrrolidin...)
Show SMILES Fc1cccc(F)c1CN1CCC(C1)Nc1cccc2cnccc12
Show InChI InChI=1S/C20H19F2N3/c21-18-4-2-5-19(22)17(18)13-25-10-8-15(12-25)24-20-6-1-3-14-11-23-9-7-16(14)20/h1-7,9,11,15,24H,8,10,12-13H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MCP1-induced chemotaxis in U937 cells overexpressing CCR2

Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50197914
PNG
(CHEMBL375556 | N-(1-(4-chlorobenzyl)pyrrolidin-3-y...)
Show SMILES Clc1ccc(CN2CCC(C2)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H20ClN3/c21-17-6-4-15(5-7-17)13-24-11-9-18(14-24)23-20-3-1-2-16-12-22-10-8-19(16)20/h1-8,10,12,18,23H,9,11,13-14H2
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n/an/a 1.10E+4n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MCP1-induced chemotaxis in U937 cells overexpressing CCR2

Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50197915
PNG
(CHEMBL223815 | N-(1-(3-chlorobenzyl)pyrrolidin-3-y...)
Show SMILES Clc1cccc(CN2CCC(C2)Nc2cccc3cnccc23)c1
Show InChI InChI=1S/C20H20ClN3/c21-17-5-1-3-15(11-17)13-24-10-8-18(14-24)23-20-6-2-4-16-12-22-9-7-19(16)20/h1-7,9,11-12,18,23H,8,10,13-14H2
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n/an/a 1.40E+4n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MCP1-induced chemotaxis in U937 cells overexpressing CCR2

Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50197904
PNG
(CHEMBL388285 | N-(1-(2-aminobenzyl)pyrrolidin-3-yl...)
Show SMILES Nc1ccccc1CN1CCC(C1)Nc1cccc2cnccc12
Show InChI InChI=1S/C20H22N4/c21-19-6-2-1-4-16(19)13-24-11-9-17(14-24)23-20-7-3-5-15-12-22-10-8-18(15)20/h1-8,10,12,17,23H,9,11,13-14,21H2
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n/an/a 1.40E+4n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MCP1-induced chemotaxis in U937 cells overexpressing CCR2

Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50197903
PNG
(CHEMBL223907 | N-(1-(4-aminobenzyl)pyrrolidin-3-yl...)
Show SMILES Nc1ccc(CN2CCC(C2)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H22N4/c21-17-6-4-15(5-7-17)13-24-11-9-18(14-24)23-20-3-1-2-16-12-22-10-8-19(16)20/h1-8,10,12,18,23H,9,11,13-14,21H2
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n/an/a 1.50E+4n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MCP1-induced chemotaxis in U937 cells overexpressing CCR2

Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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n/an/a 1.51E+4n/an/an/an/a7.425



Kyoto University



Assay Description
Fluorescence intensity was measured at 420 nm excitation and 485 nm emission using a microplate reader (MPR-A4ιII; TOSOH, Tokyo, Japan, or Fluoroska...

J Biol Chem 288: 23212-24 (2013)


Article DOI: 10.1074/jbc.M113.464222
BindingDB Entry DOI: 10.7270/Q25H7F3Q
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 1.53E+4n/an/an/an/a7.425



Kyoto University



Assay Description
Fluorescence intensity was measured at 420 nm excitation and 485 nm emission using a microplate reader (MPR-A4ιII; TOSOH, Tokyo, Japan, or Fluoroska...

J Biol Chem 288: 23212-24 (2013)


Article DOI: 10.1074/jbc.M113.464222
BindingDB Entry DOI: 10.7270/Q25H7F3Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50197901
PNG
(CHEMBL389926 | N-(1-(2-chlorobenzyl)pyrrolidin-3-y...)
Show SMILES Clc1ccccc1CN1CCC(C1)Nc1cccc2cnccc12
Show InChI InChI=1S/C20H20ClN3/c21-19-6-2-1-4-16(19)13-24-11-9-17(14-24)23-20-7-3-5-15-12-22-10-8-18(15)20/h1-8,10,12,17,23H,9,11,13-14H2
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n/an/a 1.70E+4n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MCP1-induced chemotaxis in U937 cells overexpressing CCR2

Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50197910
PNG
(CHEMBL373759 | N-(1-(3-aminobenzyl)pyrrolidin-3-yl...)
Show SMILES Nc1cccc(CN2CCC(C2)Nc2cccc3cnccc23)c1
Show InChI InChI=1S/C20H22N4/c21-17-5-1-3-15(11-17)13-24-10-8-18(14-24)23-20-6-2-4-16-12-22-9-7-19(16)20/h1-7,9,11-12,18,23H,8,10,13-14,21H2
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n/an/a 2.00E+4n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MCP1-induced chemotaxis in U937 cells overexpressing CCR2

Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50197900
PNG
(CHEMBL223336 | N-(1-(4-fluorobenzyl)pyrrolidin-3-y...)
Show SMILES Fc1ccc(CN2CCC(C2)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H20FN3/c21-17-6-4-15(5-7-17)13-24-11-9-18(14-24)23-20-3-1-2-16-12-22-10-8-19(16)20/h1-8,10,12,18,23H,9,11,13-14H2
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n/an/a 2.20E+4n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MCP1-induced chemotaxis in U937 cells overexpressing CCR2

Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50197902
PNG
(CHEMBL225492 | N-(1-(4-chlorobenzyl)piperidin-3-yl...)
Show SMILES Clc1ccc(CN2CCCC(C2)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C21H22ClN3/c22-18-8-6-16(7-9-18)14-25-12-2-4-19(15-25)24-21-5-1-3-17-13-23-11-10-20(17)21/h1,3,5-11,13,19,24H,2,4,12,14-15H2
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n/an/a 2.30E+4n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MCP1-induced chemotaxis in U937 cells overexpressing CCR2

Bioorg Med Chem 15: 1022-33 (2006)


Article DOI: 10.1016/j.bmc.2006.10.028
BindingDB Entry DOI: 10.7270/Q2XS5V1M
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM212434
PNG
((2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl...)
Show SMILES O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H/t14-,15+/m0/s1
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n/an/a 2.53E+4n/an/an/an/a7.425



Kyoto University



Assay Description
Fluorescence intensity was measured at 420 nm excitation and 485 nm emission using a microplate reader (MPR-A4ιII; TOSOH, Tokyo, Japan, or Fluoroska...

J Biol Chem 288: 23212-24 (2013)


Article DOI: 10.1074/jbc.M113.464222
BindingDB Entry DOI: 10.7270/Q25H7F3Q
More data for this
Ligand-Target Pair
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