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Compile Data Set for Download or QSAR

Found 161 hits Enz. Inhib. hit(s) with Target = 'Rhodopsin'   
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
Rhodopsin kinase


(Homo sapiens (Human))
BDBM50049820
PNG
(4-Amino-5-carboxamide-7-(D-ribofuranosyl)pyrrolo[2...)
Show SMILES NC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12 |r|
Show InChI InChI=1S/C12H15N5O5/c13-9-6-4(10(14)21)1-17(11(6)16-3-15-9)12-8(20)7(19)5(2-18)22-12/h1,3,5,7-8,12,18-20H,2H2,(H2,14,21)(H2,13,15,16)/t5-,7-,8-,12-/m1/s1
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180n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of rhodopsin kinase (unknown origin)


J Biol Chem 282: 15271-83 (2007)


Article DOI: 10.1074/jbc.M701362200
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 |t:1|
Show InChI InChI=1/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 70n/an/an/an/a7.0n/a



AstraZeneca





J Med Chem 45: 1300-12 (2002)


Article DOI: 10.1016/j.bmcl.2006.09.099
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 |t:1|
Show InChI InChI=1/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)

More data for this
Ligand-Target Pair
Rhodopsin kinase


(Homo sapiens (Human))
BDBM3149
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1
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n/an/a 340n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of GRK1-mediated bovine tubulin phosphorylation by scintillation counting


J Med Chem 53: 1867-70 (2010)


Article DOI: 10.1021/jm9017515
More data for this
Ligand-Target Pair
Rhodopsin kinase


(Homo sapiens (Human))
BDBM283996
PNG
(E22 | US10023564, Example 22)
Show SMILES CCc1nc(CNC(=O)c2cc(ccc2F)C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)no1 |c:23|
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n/an/a 3.50E+3n/an/an/an/a7.0n/a



AstraZeneca





J Med Chem 45: 1300-12 (2002)


Article DOI: 10.1016/j.bmcl.2006.09.099
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 |t:1|
Show InChI InChI=1/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/a7.0n/a



AstraZeneca





J Med Chem 45: 1300-12 (2002)


Article DOI: 10.1016/j.bmcl.2006.09.099
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 |t:1|
Show InChI InChI=1/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)

More data for this
Ligand-Target Pair
Rhodopsin kinase


(Bos taurus)
BDBM3149
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1
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n/an/a 4.10E+3n/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine C-terminal truncated GRK1 (535 residues) assessed as decrease in phosphorylation of urea-washed bovine rod outer segments preinc...


J Med Chem 59: 9277-9294 (2016)

More data for this
Ligand-Target Pair
Rhodopsin kinase


(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 9.00E+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)

More data for this
Ligand-Target Pair
Rhodopsin kinase


(Homo sapiens (Human))
BDBM50135286
PNG
(CHEMBL3745885)
Show SMILES Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C22H15F2N5O3S/c1-29-20-13(9-19(21(29)30)33(31,32)18-5-2-14(23)10-16(18)24)11-26-22(28-20)27-15-3-4-17-12(8-15)6-7-25-17/h2-11,25H,1H3,(H,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human GRK1 using casein as substrate


Bioorg Med Chem 24: 521-44 (2016)

More data for this
Ligand-Target Pair
Rhodopsin kinase


(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 |t:1|
Show InChI InChI=1/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 1.19E+4n/an/an/an/a7.0n/a



AstraZeneca





J Med Chem 45: 1300-12 (2002)


Article DOI: 10.1016/j.bmcl.2006.09.099
More data for this
Ligand-Target Pair
Rhodopsin kinase


(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 |t:1|
Show InChI InChI=1/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 1.19E+4n/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)

More data for this
Ligand-Target Pair
Rhodopsin kinase


(Homo sapiens (Human))
BDBM284001
PNG
(E27 | US10023564, Example 27)
Show SMILES COc1ccccc1C(C)NC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:28|
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n/an/a 1.40E+4n/an/an/an/a7.0n/a



AstraZeneca





J Med Chem 45: 1300-12 (2002)


Article DOI: 10.1016/j.bmcl.2006.09.099
More data for this
Ligand-Target Pair
Rhodopsin


(Bos taurus)
BDBM50158383
PNG
(2-((8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-2,...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(Br)cc1 |r,t:8|
Show InChI InChI=1S/C27H33BrO5S/c1-26-13-11-19(29)15-17(26)3-8-21-22-9-10-24(27(22,2)14-12-23(21)26)25(30)16-33-34(31,32)20-6-4-18(28)5-7-20/h4-7,15,21-24H,3,8-14,16H2,1-2H3/t21-,22-,23-,24+,26-,27-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of bovine retinal rod outer-segment photoactivated rhodopsin-transducin interaction by transducin release assay


J Med Chem 51: 5297-303 (2008)


Article DOI: 10.1021/jm800326q
More data for this
Ligand-Target Pair
Rhodopsin kinase


(Homo sapiens (Human))
BDBM50173325
PNG
(CHEMBL3809965 | US10023564, Example 5)
Show SMILES COc1ccccc1CNC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:27|
Show InChI InChI=1/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 1.60E+4n/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)

More data for this
Ligand-Target Pair
Rhodopsin kinase


(Homo sapiens (Human))
BDBM50173325
PNG
(CHEMBL3809965 | US10023564, Example 5)
Show SMILES COc1ccccc1CNC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:27|
Show InChI InChI=1/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 1.63E+4n/an/an/an/a7.0n/a



AstraZeneca





J Med Chem 45: 1300-12 (2002)


Article DOI: 10.1016/j.bmcl.2006.09.099
More data for this
Ligand-Target Pair
Rhodopsin kinase


(Homo sapiens (Human))
BDBM283998
PNG
(E24 | US10023564, Example 24)
Show SMILES COCc1noc(CNC(=O)c2cc(ccc2F)C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)n1 |c:25|
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n/an/a 1.80E+4n/an/an/an/a7.0n/a



AstraZeneca





J Med Chem 45: 1300-12 (2002)


Article DOI: 10.1016/j.bmcl.2006.09.099
More data for this
Ligand-Target Pair
Rhodopsin kinase


(Homo sapiens (Human))
BDBM284006
PNG
(E32 | US10023564, Example 32)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)N(CCO)Cc2ccco2)c1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
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n/an/a 2.10E+4n/an/an/an/a7.0n/a



AstraZeneca





J Med Chem 45: 1300-12 (2002)


Article DOI: 10.1016/j.bmcl.2006.09.099
More data for this
Ligand-Target Pair
Rhodopsin kinase


(Homo sapiens (Human))
BDBM283997
PNG
(E23 | US10023564, Example 23)
Show SMILES COC(=O)C1(CCCCC1)NC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:28|
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n/an/a 6.70E+4n/an/an/an/a7.0n/a



AstraZeneca





J Med Chem 45: 1300-12 (2002)


Article DOI: 10.1016/j.bmcl.2006.09.099
More data for this
Ligand-Target Pair
Rhodopsin kinase


(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 |t:1|
Show InChI InChI=1/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 7.10E+4n/an/an/an/a7.0n/a



AstraZeneca





J Med Chem 45: 1300-12 (2002)


Article DOI: 10.1016/j.bmcl.2006.09.099
More data for this
Ligand-Target Pair
Rhodopsin kinase


(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 |t:1|
Show InChI InChI=1/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 7.10E+4n/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)

More data for this
Ligand-Target Pair
Rhodopsin kinase


(Homo sapiens (Human))
BDBM284011
PNG
(E37 | US10023564, Example 37)
Show SMILES Cc1cnc(CNC(=O)CCc2cc(ccc2F)C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)o1 |c:25|
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n/an/a 7.40E+4n/an/an/an/a7.0n/a



AstraZeneca





J Med Chem 45: 1300-12 (2002)


Article DOI: 10.1016/j.bmcl.2006.09.099
More data for this
Ligand-Target Pair
Rhodopsin kinase


(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 |t:1|
Show InChI InChI=1/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>1.00E+5n/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)

More data for this
Ligand-Target Pair
Rhodopsin kinase


(Homo sapiens (Human))
BDBM22416
PNG
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
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n/an/a>1.00E+5n/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)

More data for this
Ligand-Target Pair
Rhodopsin kinase


(Homo sapiens (Human))
BDBM50173321
PNG
(CHEMBL3810383)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ccccn1)C(=O)Nc1ccc2OCOc2c1 |t:1|
Show InChI InChI=1/C26H22FN5O5/c1-14-22(25(34)31-16-6-8-20-21(11-16)37-13-36-20)23(32-26(35)30-14)15-5-7-19(27)18(10-15)24(33)29-12-17-4-2-3-9-28-17/h2-11,23H,12-13H2,1H3,(H,29,33)(H,31,34)(H2,30,32,35)
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n/an/a>1.00E+5n/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)

More data for this
Ligand-Target Pair
Rhodopsin kinase


(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 |c:4|
Show InChI InChI=1/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>1.00E+5n/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)

More data for this
Ligand-Target Pair
Rhodopsin kinase


(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 |t:1|
Show InChI InChI=1/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>1.00E+5n/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)

More data for this
Ligand-Target Pair
Rhodopsin kinase


(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 |t:1|
Show InChI InChI=1/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>1.00E+5n/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)

More data for this
Ligand-Target Pair
Rhodopsin kinase


(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 |t:1|
Show InChI InChI=1/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>1.00E+5n/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)

More data for this
Ligand-Target Pair
Rhodopsin kinase


(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 |c:30|
Show InChI InChI=1/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>1.00E+5n/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)

More data for this
Ligand-Target Pair
Rhodopsin kinase


(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 |t:1|
Show InChI InChI=1/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>1.00E+5n/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)

More data for this
Ligand-Target Pair
Rhodopsin kinase


(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 |t:1|
Show InChI InChI=1/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>1.00E+5n/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)

More data for this
Ligand-Target Pair
Rhodopsin kinase


(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 |t:1|
Show InChI InChI=1/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>1.00E+5n/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)

More data for this
Ligand-Target Pair
Rhodopsin kinase


(Homo sapiens (Human))
BDBM50173318
PNG
(CHEMBL3809788 | US10023564, Example 17)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1c(cccc1C(F)(F)F)C(F)(F)F)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
Show InChI InChI=1/C29H21F7N6O3/c1-13-23(26(44)40-16-6-8-22-15(9-16)11-38-42-22)24(41-27(45)39-13)14-5-7-21(30)17(10-14)25(43)37-12-18-19(28(31,32)33)3-2-4-20(18)29(34,35)36/h2-11,24H,12H2,1H3,(H,37,43)(H,38,42)(H,40,44)(H2,39,41,45)
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n/an/a>1.00E+5n/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)

More data for this
Ligand-Target Pair
Rhodopsin kinase


(Homo sapiens (Human))
BDBM50173317
PNG
(CHEMBL3810349 | US10023564, Example 12)
Show SMILES CNC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:18|
Show InChI InChI=1/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>1.00E+5n/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)

More data for this
Ligand-Target Pair
Rhodopsin kinase


(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 |t:1|
Show InChI InChI=1/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>1.00E+5n/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)

More data for this
Ligand-Target Pair
Rhodopsin kinase


(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 |t:1|
Show InChI InChI=1/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>1.00E+5n/an/an/an/a7.0n/a



AstraZeneca





J Med Chem 45: 1300-12 (2002)


Article DOI: 10.1016/j.bmcl.2006.09.099
More data for this
Ligand-Target Pair
Rhodopsin kinase


(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 |t:1|
Show InChI InChI=1/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>1.00E+5n/an/an/an/a7.0n/a



AstraZeneca





J Med Chem 45: 1300-12 (2002)


Article DOI: 10.1016/j.bmcl.2006.09.099
More data for this
Ligand-Target Pair
Rhodopsin kinase


(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 |t:1|
Show InChI InChI=1/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>1.00E+5n/an/an/an/a7.0n/a



AstraZeneca





J Med Chem 45: 1300-12 (2002)


Article DOI: 10.1016/j.bmcl.2006.09.099
More data for this
Ligand-Target Pair
Rhodopsin kinase


(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 |c:24|
Show InChI InChI=1/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>1.00E+5n/an/an/an/a7.0n/a



AstraZeneca





J Med Chem 45: 1300-12 (2002)


Article DOI: 10.1016/j.bmcl.2006.09.099
More data for this
Ligand-Target Pair
Rhodopsin kinase


(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 |t:1|
Show InChI InChI=1/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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AstraZeneca





J Med Chem 45: 1300-12 (2002)


Article DOI: 10.1016/j.bmcl.2006.09.099
More data for this
Ligand-Target Pair
Rhodopsin kinase


(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 |t:1|
Show InChI InChI=1/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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J Med Chem 45: 1300-12 (2002)


Article DOI: 10.1016/j.bmcl.2006.09.099
More data for this
Ligand-Target Pair
Rhodopsin kinase


(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 |t:1|
Show InChI InChI=1/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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J Med Chem 45: 1300-12 (2002)


Article DOI: 10.1016/j.bmcl.2006.09.099
More data for this
Ligand-Target Pair
Rhodopsin kinase


(Homo sapiens (Human))
BDBM50173319
PNG
(CHEMBL3809020 | US10023564, Example 11)
Show SMILES COc1cccc(OC)c1CNC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:29|
Show InChI InChI=1/C29H27FN6O5/c1-15-25(28(38)34-18-8-10-22-17(11-18)13-32-36-22)26(35-29(39)33-15)16-7-9-21(30)19(12-16)27(37)31-14-20-23(40-2)5-4-6-24(20)41-3/h4-13,26H,14H2,1-3H3,(H,31,37)(H,32,36)(H,34,38)(H2,33,35,39)
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J Med Chem 45: 1300-12 (2002)


Article DOI: 10.1016/j.bmcl.2006.09.099
More data for this
Ligand-Target Pair
Rhodopsin kinase


(Homo sapiens (Human))
BDBM50173317
PNG
(CHEMBL3810349 | US10023564, Example 12)
Show SMILES CNC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 |c:18|
Show InChI InChI=1/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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J Med Chem 45: 1300-12 (2002)


Article DOI: 10.1016/j.bmcl.2006.09.099
More data for this
Ligand-Target Pair
Rhodopsin kinase


(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 |t:1|
Show InChI InChI=1/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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J Med Chem 45: 1300-12 (2002)


Article DOI: 10.1016/j.bmcl.2006.09.099
More data for this
Ligand-Target Pair
Rhodopsin kinase


(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 |t:1|
Show InChI InChI=1/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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J Med Chem 45: 1300-12 (2002)


Article DOI: 10.1016/j.bmcl.2006.09.099
More data for this
Ligand-Target Pair
Rhodopsin kinase


(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 |t:1|
Show InChI InChI=1/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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J Med Chem 45: 1300-12 (2002)


Article DOI: 10.1016/j.bmcl.2006.09.099
More data for this
Ligand-Target Pair
Rhodopsin kinase


(Homo sapiens (Human))
BDBM50173318
PNG
(CHEMBL3809788 | US10023564, Example 17)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1c(cccc1C(F)(F)F)C(F)(F)F)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
Show InChI InChI=1/C29H21F7N6O3/c1-13-23(26(44)40-16-6-8-22-15(9-16)11-38-42-22)24(41-27(45)39-13)14-5-7-21(30)17(10-14)25(43)37-12-18-19(28(31,32)33)3-2-4-20(18)29(34,35)36/h2-11,24H,12H2,1H3,(H,37,43)(H,38,42)(H,40,44)(H2,39,41,45)
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J Med Chem 45: 1300-12 (2002)


Article DOI: 10.1016/j.bmcl.2006.09.099
More data for this
Ligand-Target Pair
Rhodopsin kinase


(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 |c:25|
Show InChI InChI=1/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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J Med Chem 45: 1300-12 (2002)


Article DOI: 10.1016/j.bmcl.2006.09.099
More data for this
Ligand-Target Pair
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