Found 36 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Rho-associated protein kinase 1/2
(Homo sapiens (Human)) | BDBM50197913
((3R)-N-[1-(3-aminobenzyl)-3-pyrrolidyl]-N-(5-isoqu...)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 | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL223815 | N-(1-(3-chlorobenzyl)pyrrolidin-3-y...)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 | PDB
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| Article
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| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50197914
(CHEMBL375556 | N-(1-(4-chlorobenzyl)pyrrolidin-3-y...)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 | PDB
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| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/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
(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- | PDB
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL387954 | N-(1-(2,6-difluorobenzyl)pyrrolidin...)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 | PDB
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| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50197900
(CHEMBL223336 | N-(1-(4-fluorobenzyl)pyrrolidin-3-y...)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 | PDB
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| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL389926 | N-(1-(2-chlorobenzyl)pyrrolidin-3-y...)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 | PDB
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL224505 | N-(1-benzyl-4-piperidyl)-N-(5-isoqu...)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 | PDB
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| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/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
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)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 | PDB
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Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Rho-associated protein kinase 1/2
(Homo sapiens (Human)) | BDBM50197911
(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+ | PDB
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| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50197920
(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- | PDB
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| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50197902
(CHEMBL225492 | N-(1-(4-chlorobenzyl)piperidin-3-yl...)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 | PDB
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| n/a | n/a | 185 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50197921
(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+ | PDB
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| n/a | n/a | 195 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL388285 | N-(1-(2-aminobenzyl)pyrrolidin-3-yl...)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 | PDB
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| n/a | n/a | 205 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL375882 | N-(1-isobutyl-4-piperidyl)-N-(5-iso...)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 | PDB
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| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL224508 | N-(1-(2-chlorobenzyl)piperidin-3-yl...)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 | PDB
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| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL223907 | N-(1-(4-aminobenzyl)pyrrolidin-3-yl...)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 | PDB
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| n/a | n/a | 235 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50197909
(CHEMBL389254 | N-(1-(3-chlorobenzyl)piperidin-3-yl...)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 | PDB
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| n/a | n/a | 265 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50197905
(CHEMBL375736 | N-(1-isopentyl-3-pyrrolidyl)-N-(5-i...)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 | PDB
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| Article
PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50197910
(CHEMBL373759 | N-(1-(3-aminobenzyl)pyrrolidin-3-yl...)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 | PDB
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| Article
PubMed
| n/a | n/a | 275 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50197912
((3S)-N-[1-(3-aminobenzyl)-3-pyrrolidyl]-N-(5-isoqu...)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 | PDB
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| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50197918
(CHEMBL224472 | N-(1-ethylpiperidin-4-yl)isoquinoli...)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 | PDB
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| n/a | n/a | 345 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50197917
(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- | PDB
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| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50197916
(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+ | PDB
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| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/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
((3R)-N-[1-(3-aminobenzyl)-3-pyrrolidyl]-N-(5-isoqu...)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 | PDB
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| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL387954 | N-(1-(2,6-difluorobenzyl)pyrrolidin...)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 | PDB
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| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL375556 | N-(1-(4-chlorobenzyl)pyrrolidin-3-y...)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 | PDB
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| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL223815 | N-(1-(3-chlorobenzyl)pyrrolidin-3-y...)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 | PDB
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| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL388285 | N-(1-(2-aminobenzyl)pyrrolidin-3-yl...)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 | PDB
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PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL223907 | N-(1-(4-aminobenzyl)pyrrolidin-3-yl...)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 | PDB
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| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50197901
(CHEMBL389926 | N-(1-(2-chlorobenzyl)pyrrolidin-3-y...)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 | PDB
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| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL373759 | N-(1-(3-aminobenzyl)pyrrolidin-3-yl...)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 | PDB
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| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL223336 | N-(1-(4-fluorobenzyl)pyrrolidin-3-y...)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 | PDB
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| n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL225492 | N-(1-(4-chlorobenzyl)piperidin-3-yl...)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 | PDB
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| n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50197912
((3S)-N-[1-(3-aminobenzyl)-3-pyrrolidyl]-N-(5-isoqu...)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 | PDB
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| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)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 | PDB
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| n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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