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Compile Data Set for Download or QSAR

Found 125 hits with Last Name = 'kirchhoff' and Initial = 'pd'   
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 1


(Homo sapiens (Human))
BDBM50173310
PNG
(CHEMBL3808660 | US10023564, Example 1)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ccccn1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C26H22FN7O3/c1-14-22(25(36)32-17-6-8-21-16(10-17)12-30-34-21)23(33-26(37)31-14)15-5-7-20(27)19(11-15)24(35)29-13-18-4-2-3-9-28-18/h2-12,23H,13H2,1H3,(H,29,35)(H,30,34)(H,32,36)(H2,31,33,37)
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n/an/a 11n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173307
PNG
(CHEMBL3809796 | US10023564, Example 8)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1nccc2ccccc12)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C30H24FN7O3/c1-16-26(29(40)36-20-7-9-24-19(12-20)14-34-38-24)27(37-30(41)35-16)18-6-8-23(31)22(13-18)28(39)33-15-25-21-5-3-2-4-17(21)10-11-32-25/h2-14,27H,15H2,1H3,(H,33,39)(H,34,38)(H,36,40)(H2,35,37,41)
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n/an/a 12n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase beta chain


(Mycobacterium tuberculosis)
BDBM50355756
PNG
(CHEMBL1909658)
Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C(\C=N\N4CCN(C)CC4)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(=O)c2c(O)c3C
Show InChI InChI=1S/C43H56N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-51H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of wild type Mycobacterium tuberculosis RNA polymerase after 10 mins using ribo green staining by rolling circle transcription assay


Bioorg Med Chem Lett 21: 6094-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.054
BindingDB Entry DOI: 10.7270/Q2R78FMB
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase beta chain


(Mycobacterium tuberculosis)
BDBM50355755
PNG
(CHEMBL1911296)
Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(=O)c2c(SC)c3C
Show InChI InChI=1S/C38H47NO11S/c1-17-12-11-13-18(2)37(46)39-24-16-25(41)27-28(32(24)44)35(51-10)22(6)34-29(27)36(45)38(8,50-34)48-15-14-26(47-9)19(3)33(49-23(7)40)21(5)31(43)20(4)30(17)42/h11-17,19-21,26,30-31,33,42-43H,1-10H3,(H,39,46)/b12-11+,15-14+,18-13-/t17-,19+,20+,21+,26-,30-,31+,33+,38-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of wild type Mycobacterium tuberculosis RNA polymerase after 10 mins using ribo green staining by rolling circle transcription assay


Bioorg Med Chem Lett 21: 6094-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.054
BindingDB Entry DOI: 10.7270/Q2R78FMB
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173315
PNG
(CHEMBL3809100 | US10023564, Example 4)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1cccc(F)c1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H22F2N6O3/c1-14-23(26(37)33-19-6-8-22-17(10-19)13-31-35-22)24(34-27(38)32-14)16-5-7-21(29)20(11-16)25(36)30-12-15-3-2-4-18(28)9-15/h2-11,13,24H,12H2,1H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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n/an/a 21n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase beta chain


(Mycobacterium tuberculosis)
BDBM50355751
PNG
(CHEMBL1911286)
Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(=O)c2c(OS(=O)(=O)c1ccc(C)cc1)c3C
Show InChI InChI=1S/C44H51NO14S/c1-21-14-16-29(17-15-21)60(53,54)59-41-27(7)40-35-33-31(47)20-30(38(50)34(33)41)45-43(52)23(3)13-11-12-22(2)36(48)25(5)37(49)26(6)39(57-28(8)46)24(4)32(55-10)18-19-56-44(9,58-40)42(35)51/h11-20,22,24-26,32,36-37,39,48-49H,1-10H3,(H,45,52)/b12-11+,19-18+,23-13-/t22-,24+,25+,26+,32-,36-,37+,39+,44-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of wild type Mycobacterium tuberculosis RNA polymerase after 10 mins using ribo green staining by rolling circle transcription assay


Bioorg Med Chem Lett 21: 6094-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.054
BindingDB Entry DOI: 10.7270/Q2R78FMB
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173305
PNG
(CHEMBL3810107 | US10023564, Example 3)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCCc1ccccn1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H24FN7O3/c1-15-23(26(37)33-19-6-8-22-17(12-19)14-31-35-22)24(34-27(38)32-15)16-5-7-21(28)20(13-16)25(36)30-11-9-18-4-2-3-10-29-18/h2-8,10,12-14,24H,9,11H2,1H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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n/an/a 23n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173311
PNG
(CHEMBL3810073 | US10023564, Example 6)
Show SMILES COc1ccc(CNC(=O)c2cc(ccc2F)C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C28H25FN6O4/c1-15-24(27(37)33-19-6-10-23-18(11-19)14-31-35-23)25(34-28(38)32-15)17-5-9-22(29)21(12-17)26(36)30-13-16-3-7-20(39-2)8-4-16/h3-12,14,25H,13H2,1-2H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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n/an/a 50n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173325
PNG
(CHEMBL3809965 | US10023564, Example 5)
Show SMILES COc1ccccc1CNC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C28H25FN6O4/c1-15-24(27(37)33-19-8-10-22-18(11-19)14-31-35-22)25(34-28(38)32-15)16-7-9-21(29)20(12-16)26(36)30-13-17-5-3-4-6-23(17)39-2/h3-12,14,25H,13H2,1-2H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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n/an/a 57n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173314
PNG
(CHEMBL3808840 | US10023564, Example 16)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ccccc1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H23FN6O3/c1-15-23(26(36)32-19-8-10-22-18(11-19)14-30-34-22)24(33-27(37)31-15)17-7-9-21(28)20(12-17)25(35)29-13-16-5-3-2-4-6-16/h2-12,14,24H,13H2,1H3,(H,29,35)(H,30,34)(H,32,36)(H2,31,33,37)
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n/an/a 69n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173306
PNG
(CHEMBL3808565 | US10023564, Example 7)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCCc1ccncc1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H24FN7O3/c1-15-23(26(37)33-19-3-5-22-18(12-19)14-31-35-22)24(34-27(38)32-15)17-2-4-21(28)20(13-17)25(36)30-11-8-16-6-9-29-10-7-16/h2-7,9-10,12-14,24H,8,11H2,1H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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n/an/a 84n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173312
PNG
(CHEMBL3810312 | US10023564, Example 18)
Show SMILES COc1cccc(CNC(=O)c2cc(ccc2F)C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)c1
Show InChI InChI=1S/C28H25FN6O4/c1-15-24(27(37)33-19-7-9-23-18(11-19)14-31-35-23)25(34-28(38)32-15)17-6-8-22(29)21(12-17)26(36)30-13-16-4-3-5-20(10-16)39-2/h3-12,14,25H,13H2,1-2H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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n/an/a 97n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Rhodopsin kinase


(Homo sapiens (Human))
BDBM50173307
PNG
(CHEMBL3809796 | US10023564, Example 8)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1nccc2ccccc12)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C30H24FN7O3/c1-16-26(29(40)36-20-7-9-24-19(12-20)14-34-38-24)27(37-30(41)35-16)18-6-8-23(31)22(13-18)28(39)33-15-25-21-5-3-2-4-17(21)10-11-32-25/h2-14,27H,15H2,1H3,(H,33,39)(H,34,38)(H,36,40)(H2,35,37,41)
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n/an/a 100n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of GRK1 (unknown origin) using tubulin as substrate by SDS-PAGE method


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173320
PNG
(GSK-180736A | GSK180736A | US10023564, Compound GS...)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C19H16FN5O2/c1-10-16(17(24-19(27)22-10)11-2-4-13(20)5-3-11)18(26)23-14-6-7-15-12(8-14)9-21-25-15/h2-9,17H,1H3,(H,21,25)(H,23,26)(H2,22,24,27)
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n/an/a 100n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173323
PNG
(CHEMBL3808621 | US10023564, Example 2)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1c(F)cccc1F)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H21F3N6O3/c1-13-23(26(38)34-16-6-8-22-15(9-16)11-32-36-22)24(35-27(39)33-13)14-5-7-21(30)17(10-14)25(37)31-12-18-19(28)3-2-4-20(18)29/h2-11,24H,12H2,1H3,(H,31,37)(H,32,36)(H,34,38)(H2,33,35,39)
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n/an/a 110n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase beta chain


(Mycobacterium tuberculosis)
BDBM50355758
PNG
(CHEMBL1911306)
Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C(\C=N\N4CCN(C)CC4)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c1nn(CCO)c(c3C)c21
Show InChI InChI=1S/C45H60N6O11/c1-23-12-11-13-24(2)44(58)47-35-30(22-46-50-17-15-49(9)16-18-50)40(56)32-33-36(35)48-51(19-20-52)37(33)26(4)42-34(32)43(57)45(8,62-42)60-21-14-31(59-10)25(3)41(61-29(7)53)28(6)39(55)27(5)38(23)54/h11-14,21-23,25,27-28,31,38-39,41,52,54-55H,15-20H2,1-10H3,(H,47,58)/b12-11+,21-14+,24-13-,46-22+/t23-,25+,27+,28+,31-,38-,39+,41+,45-/m0/s1
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n/an/a 139n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of wild type Mycobacterium tuberculosis RNA polymerase after 10 mins using ribo green staining by rolling circle transcription assay


Bioorg Med Chem Lett 21: 6094-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.054
BindingDB Entry DOI: 10.7270/Q2R78FMB
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase beta chain


(Mycobacterium tuberculosis)
BDBM50355757
PNG
(CHEMBL1911298)
Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C(\C=N\N4CCN(C)CC4)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(=O)c2c(OS(=O)(=O)c1ccccc1)c3C
Show InChI InChI=1S/C49H60N4O14S/c1-26-15-14-16-27(2)48(60)51-39-34(25-50-53-22-20-52(9)21-23-53)42(57)36-37(43(39)58)46(67-68(61,62)33-17-12-11-13-18-33)31(6)45-38(36)47(59)49(8,66-45)64-24-19-35(63-10)28(3)44(65-32(7)54)30(5)41(56)29(4)40(26)55/h11-19,24-26,28-30,35,40-41,44,55-56H,20-23H2,1-10H3,(H,51,60)/b15-14+,24-19+,27-16-,50-25+/t26-,28+,29+,30+,35-,40-,41+,44+,49-/m0/s1
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n/an/a 142n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of wild type Mycobacterium tuberculosis RNA polymerase after 10 mins using ribo green staining by rolling circle transcription assay


Bioorg Med Chem Lett 21: 6094-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.054
BindingDB Entry DOI: 10.7270/Q2R78FMB
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173329
PNG
(CHEMBL3809697 | US10023564, Example 15)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ncccc1C)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H24FN7O3/c1-14-4-3-9-29-22(14)13-30-25(36)19-11-16(5-7-20(19)28)24-23(15(2)32-27(38)34-24)26(37)33-18-6-8-21-17(10-18)12-31-35-21/h3-12,24H,13H2,1-2H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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n/an/a 150n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173316
PNG
(CHEMBL3810250)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(O)=O)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C20H16FN5O4/c1-9-16(18(27)24-12-3-5-15-11(6-12)8-22-26-15)17(25-20(30)23-9)10-2-4-14(21)13(7-10)19(28)29/h2-8,17H,1H3,(H,22,26)(H,24,27)(H,28,29)(H2,23,25,30)
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n/an/a 190n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173324
PNG
(CHEMBL3809124 | US10023564, Example 30)
Show SMILES COc1cccc(OC)c1CNC(=O)Cc1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C30H29FN6O5/c1-16-27(29(39)35-20-8-10-23-19(12-20)14-33-37-23)28(36-30(40)34-16)17-7-9-22(31)18(11-17)13-26(38)32-15-21-24(41-2)5-4-6-25(21)42-3/h4-12,14,28H,13,15H2,1-3H3,(H,32,38)(H,33,37)(H,35,39)(H2,34,36,40)
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n/an/a 200n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173328
PNG
(CHEMBL3808918 | US10023564, Example 14)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCCc1c(C)cccc1C)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C30H29FN6O3/c1-16-5-4-6-17(2)22(16)11-12-32-28(38)23-14-19(7-9-24(23)31)27-26(18(3)34-30(40)36-27)29(39)35-21-8-10-25-20(13-21)15-33-37-25/h4-10,13-15,27H,11-12H2,1-3H3,(H,32,38)(H,33,37)(H,35,39)(H2,34,36,40)
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n/an/a 290n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50173310
PNG
(CHEMBL3808660 | US10023564, Example 1)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ccccn1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C26H22FN7O3/c1-14-22(25(36)32-17-6-8-21-16(10-17)12-30-34-21)23(33-26(37)31-14)15-5-7-20(27)19(11-15)24(35)29-13-18-4-2-3-9-28-18/h2-12,23H,13H2,1H3,(H,29,35)(H,30,34)(H,32,36)(H2,31,33,37)
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n/an/a 380n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of GRK5 (unknown origin) using tubulin as substrate by SDS-PAGE method


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173326
PNG
(CHEMBL3809604 | US10023564, Example 29)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)NCc2c(cccc2C(F)(F)F)C(F)(F)F)c1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C30H23F7N6O3/c1-14-25(27(45)41-18-6-8-23-17(10-18)12-39-43-23)26(42-28(46)40-14)15-5-7-22(31)16(9-15)11-24(44)38-13-19-20(29(32,33)34)3-2-4-21(19)30(35,36)37/h2-10,12,26H,11,13H2,1H3,(H,38,44)(H,39,43)(H,41,45)(H2,40,42,46)
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n/an/a 400n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173327
PNG
(CHEMBL3808499 | US10023564, Example 28)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)NCc2c(C)cccc2C)c1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C30H29FN6O3/c1-16-5-4-6-17(2)23(16)15-32-26(38)13-20-11-19(7-9-24(20)31)28-27(18(3)34-30(40)36-28)29(39)35-22-8-10-25-21(12-22)14-33-37-25/h4-12,14,28H,13,15H2,1-3H3,(H,32,38)(H,33,37)(H,35,39)(H2,34,36,40)
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n/an/a 450n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase beta chain


(Mycobacterium tuberculosis)
BDBM50355753
PNG
(CHEMBL1911289)
Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(=O)c2c(N(C)C)c3C
Show InChI InChI=1S/C39H50N2O11/c1-18-13-12-14-19(2)38(48)40-25-17-26(43)28-29(34(25)46)31(41(9)10)21(4)36-30(28)37(47)39(8,52-36)50-16-15-27(49-11)20(3)35(51-24(7)42)23(6)33(45)22(5)32(18)44/h12-18,20,22-23,27,32-33,35,44-45H,1-11H3,(H,40,48)/b13-12+,16-15+,19-14-/t18-,20+,22+,23+,27-,32-,33+,35+,39-/m0/s1
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n/an/a 503n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of wild type Mycobacterium tuberculosis RNA polymerase after 10 mins using ribo green staining by rolling circle transcription assay


Bioorg Med Chem Lett 21: 6094-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.054
BindingDB Entry DOI: 10.7270/Q2R78FMB
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173317
PNG
(CHEMBL3810349 | US10023564, Example 12)
Show SMILES CNC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C21H19FN6O3/c1-10-17(20(30)26-13-4-6-16-12(7-13)9-24-28-16)18(27-21(31)25-10)11-3-5-15(22)14(8-11)19(29)23-2/h3-9,18H,1-2H3,(H,23,29)(H,24,28)(H,26,30)(H2,25,27,31)
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n/an/a 560n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50173315
PNG
(CHEMBL3809100 | US10023564, Example 4)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1cccc(F)c1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H22F2N6O3/c1-14-23(26(37)33-19-6-8-22-17(10-19)13-31-35-22)24(34-27(38)32-14)16-5-7-21(29)20(11-16)25(36)30-12-15-3-2-4-18(28)9-15/h2-11,13,24H,12H2,1H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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n/an/a 800n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of GRK5 (unknown origin) using tubulin as substrate by SDS-PAGE method


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens (Human))
BDBM50436224
PNG
(CHEMBL2398697)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCCC(C1)C(=O)Nc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C27H22F6N2O3/c28-26(29,30)19-12-18(13-20(14-19)27(31,32)33)25(37)35-11-5-6-17(16-35)24(36)34-21-7-4-10-23(15-21)38-22-8-2-1-3-9-22/h1-4,7-10,12-15,17H,5-6,11,16H2,(H,34,36)
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n/an/a 1.50E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.080
BindingDB Entry DOI: 10.7270/Q28P61XS
More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens (Human))
BDBM50436223
PNG
(CHEMBL2398698)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCCC(C1)C(=O)Nc1cccc(Cc2ccccc2)c1
Show InChI InChI=1S/C28H24F6N2O2/c29-27(30,31)22-14-21(15-23(16-22)28(32,33)34)26(38)36-11-5-9-20(17-36)25(37)35-24-10-4-8-19(13-24)12-18-6-2-1-3-7-18/h1-4,6-8,10,13-16,20H,5,9,11-12,17H2,(H,35,37)
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n/an/a 1.60E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.080
BindingDB Entry DOI: 10.7270/Q28P61XS
More data for this
Ligand-Target Pair
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50173307
PNG
(CHEMBL3809796 | US10023564, Example 8)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1nccc2ccccc12)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C30H24FN7O3/c1-16-26(29(40)36-20-7-9-24-19(12-20)14-34-38-24)27(37-30(41)35-16)18-6-8-23(31)22(13-18)28(39)33-15-25-21-5-3-2-4-17(21)10-11-32-25/h2-14,27H,15H2,1H3,(H,33,39)(H,34,38)(H,36,40)(H2,35,37,41)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of GRK5 (unknown origin) using tubulin as substrate by SDS-PAGE method


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173330
PNG
(CHEMBL3808657 | US10023564, Example 13)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C29H21F7N6O3/c1-13-23(26(44)40-19-3-5-22-16(8-19)12-38-42-22)24(41-27(45)39-13)15-2-4-21(30)20(9-15)25(43)37-11-14-6-17(28(31,32)33)10-18(7-14)29(34,35)36/h2-10,12,24H,11H2,1H3,(H,37,43)(H,38,42)(H,40,44)(H2,39,41,45)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173322
PNG
(CHEMBL3809584)
Show SMILES CN(C(=O)C1=C(C)NC(=O)NC1c1ccc(F)c(c1)C(=O)NCc1c(C)cccc1C)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C30H29FN6O3/c1-16-6-5-7-17(2)23(16)15-32-28(38)22-13-19(8-10-24(22)31)27-26(18(3)34-30(40)35-27)29(39)37(4)21-9-11-25-20(12-21)14-33-36-25/h5-14,27H,15H2,1-4H3,(H,32,38)(H,33,36)(H2,34,35,40)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50173313
PNG
(CHEMBL1738878)
Show SMILES CCCn1c(CNc2cccc(c2)C(=O)NCc2c(F)cccc2F)nnc1-c1ccncn1
Show InChI InChI=1S/C24H23F2N7O/c1-2-11-33-22(31-32-23(33)21-9-10-27-15-30-21)14-28-17-6-3-5-16(12-17)24(34)29-13-18-19(25)7-4-8-20(18)26/h3-10,12,15,28H,2,11,13-14H2,1H3,(H,29,34)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of GRK5 (unknown origin) using tubulin as substrate by SDS-PAGE method


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50173325
PNG
(CHEMBL3809965 | US10023564, Example 5)
Show SMILES COc1ccccc1CNC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C28H25FN6O4/c1-15-24(27(37)33-19-8-10-22-18(11-19)14-31-35-22)25(34-28(38)32-15)16-7-9-21(29)20(12-16)26(36)30-13-17-5-3-4-6-23(17)39-2/h3-12,14,25H,13H2,1-2H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of GRK5 (unknown origin) using tubulin as substrate by SDS-PAGE method


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens (Human))
BDBM50436222
PNG
(CHEMBL2398699)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCCC(C1)C(=O)Nc1cccc(OCCc2ccccn2)c1
Show InChI InChI=1S/C28H25F6N3O3/c29-27(30,31)20-13-19(14-21(15-20)28(32,33)34)26(39)37-11-4-5-18(17-37)25(38)36-23-7-3-8-24(16-23)40-12-9-22-6-1-2-10-35-22/h1-3,6-8,10,13-16,18H,4-5,9,11-12,17H2,(H,36,38)
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n/an/a 2.30E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.080
BindingDB Entry DOI: 10.7270/Q28P61XS
More data for this
Ligand-Target Pair
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50173312
PNG
(CHEMBL3810312 | US10023564, Example 18)
Show SMILES COc1cccc(CNC(=O)c2cc(ccc2F)C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)c1
Show InChI InChI=1S/C28H25FN6O4/c1-15-24(27(37)33-19-7-9-23-18(11-19)14-31-35-23)25(34-28(38)32-15)17-6-8-22(29)21(12-17)26(36)30-13-16-4-3-5-20(10-16)39-2/h3-12,14,25H,13H2,1-2H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of GRK5 (unknown origin) using tubulin as substrate by SDS-PAGE method


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Rhodopsin kinase


(Homo sapiens (Human))
BDBM50173310
PNG
(CHEMBL3808660 | US10023564, Example 1)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ccccn1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C26H22FN7O3/c1-14-22(25(36)32-17-6-8-21-16(10-17)12-30-34-21)23(33-26(37)31-14)15-5-7-20(27)19(11-15)24(35)29-13-18-4-2-3-9-28-18/h2-12,23H,13H2,1H3,(H,29,35)(H,30,34)(H,32,36)(H2,31,33,37)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of GRK1 (unknown origin) using tubulin as substrate by SDS-PAGE method


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase beta chain


(Mycobacterium tuberculosis)
BDBM50355752
PNG
(CHEMBL1911287)
Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(=O)c2c(N)c3C
Show InChI InChI=1S/C37H46N2O11/c1-16-11-10-12-17(2)36(46)39-23-15-24(41)26-27(32(23)44)29(38)19(4)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)40)21(6)31(43)20(5)30(16)42/h10-16,18,20-21,25,30-31,33,42-43H,38H2,1-9H3,(H,39,46)/b11-10+,14-13+,17-12-/t16-,18+,20+,21+,25-,30-,31+,33+,37-/m0/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of wild type Mycobacterium tuberculosis RNA polymerase after 10 mins using ribo green staining by rolling circle transcription assay


Bioorg Med Chem Lett 21: 6094-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.054
BindingDB Entry DOI: 10.7270/Q2R78FMB
More data for this
Ligand-Target Pair
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50173314
PNG
(CHEMBL3808840 | US10023564, Example 16)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ccccc1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H23FN6O3/c1-15-23(26(36)32-19-8-10-22-18(11-19)14-30-34-22)24(33-27(37)31-15)17-7-9-21(28)20(12-17)25(35)29-13-16-5-3-2-4-6-16/h2-12,14,24H,13H2,1H3,(H,29,35)(H,30,34)(H,32,36)(H2,31,33,37)
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n/an/a 4.70E+3n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of GRK5 (unknown origin) using tubulin as substrate by SDS-PAGE method


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens (Human))
BDBM50436244
PNG
(CHEMBL2398669)
Show SMILES Clc1ccc(NC(=O)C2CCCN(C2)C(=O)c2cccc(c2)-c2cccs2)cc1
Show InChI InChI=1S/C23H21ClN2O2S/c24-19-8-10-20(11-9-19)25-22(27)18-6-2-12-26(15-18)23(28)17-5-1-4-16(14-17)21-7-3-13-29-21/h1,3-5,7-11,13-14,18H,2,6,12,15H2,(H,25,27)
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n/an/a 4.70E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.080
BindingDB Entry DOI: 10.7270/Q28P61XS
More data for this
Ligand-Target Pair
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50173323
PNG
(CHEMBL3808621 | US10023564, Example 2)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1c(F)cccc1F)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H21F3N6O3/c1-13-23(26(38)34-16-6-8-22-15(9-16)11-32-36-22)24(35-27(39)33-13)14-5-7-21(30)17(10-14)25(37)31-12-18-19(28)3-2-4-20(18)29/h2-11,24H,12H2,1H3,(H,31,37)(H,32,36)(H,34,38)(H2,33,35,39)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of GRK5 (unknown origin) using tubulin as substrate by SDS-PAGE method


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens (Human))
BDBM50436236
PNG
(CHEMBL2398678)
Show SMILES Clc1ccc(NC(=O)C2CCCN(C2)C(=O)c2cccc(c2)-c2ccco2)cc1
Show InChI InChI=1S/C23H21ClN2O3/c24-19-8-10-20(11-9-19)25-22(27)18-6-2-12-26(15-18)23(28)17-5-1-4-16(14-17)21-7-3-13-29-21/h1,3-5,7-11,13-14,18H,2,6,12,15H2,(H,25,27)
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n/an/a 5.30E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human SK-Mel-147 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene ...


Bioorg Med Chem Lett 23: 3826-32 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.080
BindingDB Entry DOI: 10.7270/Q28P61XS
More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens (Human))
BDBM50436221
PNG
(CHEMBL2398700)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCCC(C1)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C25H25F6N3O4S/c26-24(27,28)18-11-17(12-19(13-18)25(29,30)31)23(36)33-8-4-5-16(15-33)22(35)32-20-6-3-7-21(14-20)39(37,38)34-9-1-2-10-34/h3,6-7,11-14,16H,1-2,4-5,8-10,15H2,(H,32,35)
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n/an/a 5.60E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.080
BindingDB Entry DOI: 10.7270/Q28P61XS
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173309
PNG
(CHEMBL3809913 | US10023564, Example 10)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1c(C)cccc1C)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C29H27FN6O3/c1-15-5-4-6-16(2)22(15)14-31-27(37)21-12-18(7-9-23(21)30)26-25(17(3)33-29(39)35-26)28(38)34-20-8-10-24-19(11-20)13-32-36-24/h4-13,26H,14H2,1-3H3,(H,31,37)(H,32,36)(H,34,38)(H2,33,35,39)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens (Human))
BDBM50436255
PNG
(CHEMBL2398701)
Show SMILES Cc1nc(cs1)-c1cccc(NC(=O)C2CCCN(C2)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C25H21F6N3O2S/c1-14-32-21(13-37-14)15-4-2-6-20(10-15)33-22(35)16-5-3-7-34(12-16)23(36)17-8-18(24(26,27)28)11-19(9-17)25(29,30)31/h2,4,6,8-11,13,16H,3,5,7,12H2,1H3,(H,33,35)
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n/an/a 6.10E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.080
BindingDB Entry DOI: 10.7270/Q28P61XS
More data for this
Ligand-Target Pair
G protein-coupled receptor kinase 5


(Homo sapiens (Human))
BDBM50173305
PNG
(CHEMBL3810107 | US10023564, Example 3)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCCc1ccccn1)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H24FN7O3/c1-15-23(26(37)33-19-6-8-22-17(12-19)14-31-35-22)24(34-27(38)32-15)16-5-7-21(28)20(13-16)25(36)30-11-9-18-4-2-3-10-29-18/h2-8,10,12-14,24H,9,11H2,1H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of GRK5 (unknown origin) using tubulin as substrate by SDS-PAGE method


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens (Human))
BDBM50436236
PNG
(CHEMBL2398678)
Show SMILES Clc1ccc(NC(=O)C2CCCN(C2)C(=O)c2cccc(c2)-c2ccco2)cc1
Show InChI InChI=1S/C23H21ClN2O3/c24-19-8-10-20(11-9-19)25-22(27)18-6-2-12-26(15-18)23(28)17-5-1-4-16(14-17)21-7-3-13-29-21/h1,3-5,7-11,13-14,18H,2,6,12,15H2,(H,25,27)
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n/an/a 6.40E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.080
BindingDB Entry DOI: 10.7270/Q28P61XS
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50173308
PNG
(CHEMBL3810271 | US10023564, Example 9)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1c(Cl)cccc1Cl)C(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C27H21Cl2FN6O3/c1-13-23(26(38)34-16-6-8-22-15(9-16)11-32-36-22)24(35-27(39)33-13)14-5-7-21(30)17(10-14)25(37)31-12-18-19(28)3-2-4-20(18)29/h2-11,24H,12H2,1H3,(H,31,37)(H,32,36)(H,34,38)(H2,33,35,39)
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n/an/a 6.70E+3n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) by ADP-Glo kinase assay


J Med Chem 59: 3793-807 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02000
BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens (Human))
BDBM50436241
PNG
(CHEMBL2398672)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCCC(C1)C(=O)Nc1cccc(OCc2ccccn2)c1
Show InChI InChI=1S/C27H23F6N3O3/c28-26(29,30)19-11-18(12-20(13-19)27(31,32)33)25(38)36-10-4-5-17(15-36)24(37)35-21-7-3-8-23(14-21)39-16-22-6-1-2-9-34-22/h1-3,6-9,11-14,17H,4-5,10,15-16H2,(H,35,37)
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n/an/a 7.40E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.080
BindingDB Entry DOI: 10.7270/Q28P61XS
More data for this
Ligand-Target Pair
Transforming protein RhoA


(Homo sapiens (Human))
BDBM50436254
PNG
(CHEMBL2398702)
Show SMILES CCc1cccc(NC(=O)C2CCCN(C2)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C23H22F6N2O2/c1-2-14-5-3-7-19(9-14)30-20(32)15-6-4-8-31(13-15)21(33)16-10-17(22(24,25)26)12-18(11-16)23(27,28)29/h3,5,7,9-12,15H,2,4,6,8,13H2,1H3,(H,30,32)
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n/an/a 8.10E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.080
BindingDB Entry DOI: 10.7270/Q28P61XS
More data for this
Ligand-Target Pair
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