Compile Data Set for Download or QSAR

Found 52 hits of ic50 data for polymerid = 50007157   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50265871 (3-(2-(1-(2-(dimethylamino)acetyl)-6-methoxy-4,4-di...) Show SMILES COc1cc2c(cc1Nc1nc(Nc3ccsc3C(N)=O)c3cc[nH]c3n1)N(CCC2(C)C)C(=O)CN(C)C Show InChI InChI=1S/C27H32N8O3S/c1-27(2)8-10-35(21(36)14-34(3)4)19-13-18(20(38-5)12-16(19)27)31-26-32-24-15(6-9-29-24)25(33-26)30-17-7-11-39-22(17)23(28)37/h6-7,9,11-13H,8,10,14H2,1-5H3,(H2,28,37)(H3,29,30,31,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of BODIPY TR-ADP from bovine GRK1 (1 to 535 residues) preincubated for 10 mins followed by compound addition and measured after 10 to 15...				ACS Med Chem Lett 10: 1628-1634 (2019) Article DOI: 10.1021/acsmedchemlett.9b00365 BindingDB Entry DOI: 10.7270/Q28W3HR8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50529469 (CHEMBL4456539) Show SMILES COc1cc(NC(=O)\C=C\CN(C)C)ccc1Nc1nc(Nc2ccccc2C(N)=O)c2cc[nH]c2n1 Show InChI InChI=1S/C26H28N8O3/c1-34(2)14-6-9-22(35)29-16-10-11-20(21(15-16)37-3)31-26-32-24-18(12-13-28-24)25(33-26)30-19-8-5-4-7-17(19)23(27)36/h4-13,15H,14H2,1-3H3,(H2,27,36)(H,29,35)(H3,28,30,31,32,33)/b9-6+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of bovine GRK1 using tubulin as substrate measured after 4 hrs by [gamma-32P]-ATP assay				ACS Med Chem Lett 10: 1628-1634 (2019) Article DOI: 10.1021/acsmedchemlett.9b00365 BindingDB Entry DOI: 10.7270/Q28W3HR8
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50529470 (CHEMBL4475305) Show SMILES COc1ccc(NC(=O)\C=C\CN(C)C)cc1Nc1nc(Nc2ccccc2C(N)=O)c2cc[nH]c2n1 Show InChI InChI=1S/C26H28N8O3/c1-34(2)14-6-9-22(35)29-16-10-11-21(37-3)20(15-16)31-26-32-24-18(12-13-28-24)25(33-26)30-19-8-5-4-7-17(19)23(27)36/h4-13,15H,14H2,1-3H3,(H2,27,36)(H,29,35)(H3,28,30,31,32,33)/b9-6+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of bovine GRK1 using tubulin as substrate measured after 4 hrs by [gamma-32P]-ATP assay				ACS Med Chem Lett 10: 1628-1634 (2019) Article DOI: 10.1021/acsmedchemlett.9b00365 BindingDB Entry DOI: 10.7270/Q28W3HR8
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM3149 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2348NB9
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50173313 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Inhibition of bovine GRK1 (1 to 535 residues) after 5 mins after 5 mins in presence of ATP by phosphorimaging assay				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM27791 (2-{[2-({4-chloro-2-methoxy-5-[(1-propylpiperidin-4...) Show SMILES CCCN1CCC(CC1)Oc1cc(Nc2nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n2)c(OC)cc1Cl Show InChI InChI=1S/C28H31ClFN7O3/c1-3-11-37-12-8-16(9-13-37)40-22-15-21(23(39-2)14-18(22)29)34-28-35-26-17(7-10-32-26)27(36-28)33-20-6-4-5-19(30)24(20)25(31)38/h4-7,10,14-16H,3,8-9,11-13H2,1-2H3,(H2,31,38)(H3,32,33,34,35,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of BODIPY TR-ADP from bovine GRK1 (1 to 535 residues) preincubated for 10 mins followed by compound addition and measured after 10 to 15...				ACS Med Chem Lett 10: 1628-1634 (2019) Article DOI: 10.1021/acsmedchemlett.9b00365 BindingDB Entry DOI: 10.7270/Q28W3HR8
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50260129 (CHEMBL4098656) Show SMILES Cc1cccc(C)c1CNC(=O)c1cc(ccc1F)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C29H31FN2O4/c1-18-4-3-5-19(2)25(18)15-32-29(33)24-12-20(6-8-26(24)30)23-10-11-31-14-21(23)16-34-22-7-9-27-28(13-22)36-17-35-27/h3-9,12-13,21,23,31H,10-11,14-17H2,1-2H3,(H,32,33)/t21-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Inhibition of bovine GRK1 (1 to 535 residues) after 5 mins after 5 mins in presence of ATP by phosphorimaging assay				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50260147 (CHEMBL4063014) Show SMILES Fc1ccc(cc1C(=O)NCc1c(Cl)cccc1Cl)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C27H25Cl2FN2O4/c28-22-2-1-3-23(29)21(22)13-32-27(33)20-10-16(4-6-24(20)30)19-8-9-31-12-17(19)14-34-18-5-7-25-26(11-18)36-15-35-25/h1-7,10-11,17,19,31H,8-9,12-15H2,(H,32,33)/t17-,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Binding affinity towards serotonin transporter determined using [3H]paroxetine as radioligand				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50260130 (CHEMBL4090923) Show SMILES COc1cccc(OC)c1CNC(=O)c1cc(ccc1F)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C29H31FN2O6/c1-34-25-4-3-5-26(35-2)23(25)15-32-29(33)22-12-18(6-8-24(22)30)21-10-11-31-14-19(21)16-36-20-7-9-27-28(13-20)38-17-37-27/h3-9,12-13,19,21,31H,10-11,14-17H2,1-2H3,(H,32,33)/t19-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Inhibitory concentration against human alpha-L-fucosidase				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50257350 (CHEMBL1738877) Show SMILES Cn1c(CNc2cccc(c2)C(=O)NCc2ccccc2C(F)(F)F)nnc1-c1ccncc1 Show InChI InChI=1S/C24H21F3N6O/c1-33-21(31-32-22(33)16-9-11-28-12-10-16)15-29-19-7-4-6-17(13-19)23(34)30-14-18-5-2-3-8-20(18)24(25,26)27/h2-13,29H,14-15H2,1H3,(H,30,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	5.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Inhibitory concentration against alpha-galactosidase of coffee bean				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50260137 (CHEMBL4062790) Show SMILES Fc1ccc(cc1CC(=O)NCc1ccccn1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C27H28FN3O4/c28-24-6-4-18(11-19(24)12-27(32)31-15-21-3-1-2-9-30-21)23-8-10-29-14-20(23)16-33-22-5-7-25-26(13-22)35-17-34-25/h1-7,9,11,13,20,23,29H,8,10,12,14-17H2,(H,31,32)/t20-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Inhibition of bovine GRK1 (1 to 535 residues) after 5 mins after 5 mins in presence of ATP by phosphorimaging assay				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50260141 (CHEMBL4097393) Show SMILES Cc1cc(CNC(=O)c2cc(ccc2F)[C@@H]2CCNC[C@H]2COc2ccc3OCOc3c2)n[nH]1 |r| Show InChI InChI=1S/C25H27FN4O4/c1-15-8-18(30-29-15)12-28-25(31)21-9-16(2-4-22(21)26)20-6-7-27-11-17(20)13-32-19-3-5-23-24(10-19)34-14-33-23/h2-5,8-10,17,20,27H,6-7,11-14H2,1H3,(H,28,31)(H,29,30)/t17-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Inhibition of bovine GRK1 (1 to 535 residues) after 5 mins after 5 mins in presence of ATP by phosphorimaging assay				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50260140 (CHEMBL4090144) Show SMILES Fc1ccc(cc1C(=O)NCc1ccn[nH]1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C24H25FN4O4/c25-21-3-1-15(9-20(21)24(30)27-12-17-5-8-28-29-17)19-6-7-26-11-16(19)13-31-18-2-4-22-23(10-18)33-14-32-22/h1-5,8-10,16,19,26H,6-7,11-14H2,(H,27,30)(H,28,29)/t16-,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Inhibition of bovine GRK1 (1 to 535 residues) after 5 mins after 5 mins in presence of ATP by phosphorimaging assay				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50260136 (CHEMBL4077459) Show SMILES Fc1ccc(cc1C(=O)NCCc1ccncc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C27H28FN3O4/c28-24-3-1-19(13-23(24)27(32)31-12-7-18-5-9-29-10-6-18)22-8-11-30-15-20(22)16-33-21-2-4-25-26(14-21)35-17-34-25/h1-6,9-10,13-14,20,22,30H,7-8,11-12,15-17H2,(H,31,32)/t20-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Inhibitory concentration against alpha-galactosidase of coffee bean				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50260135 (CHEMBL4076131) Show SMILES Fc1ccc(cc1C(=O)NCCc1ccccn1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C27H28FN3O4/c28-24-6-4-18(13-23(24)27(32)31-12-8-20-3-1-2-10-30-20)22-9-11-29-15-19(22)16-33-21-5-7-25-26(14-21)35-17-34-25/h1-7,10,13-14,19,22,29H,8-9,11-12,15-17H2,(H,31,32)/t19-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Inhibitory concentration against alpha-galactosidase of coffee bean				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50260134 (CHEMBL4072898) Show SMILES Fc1ccc(cc1C(=O)NCc1ccncc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C26H26FN3O4/c27-23-3-1-18(11-22(23)26(31)30-13-17-5-8-28-9-6-17)21-7-10-29-14-19(21)15-32-20-2-4-24-25(12-20)34-16-33-24/h1-6,8-9,11-12,19,21,29H,7,10,13-16H2,(H,30,31)/t19-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Inhibitory concentration against alpha-galactosidase of coffee bean				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50260133 (CHEMBL4077197) Show SMILES Fc1ccc(cc1C(=O)NCc1cccnc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C26H26FN3O4/c27-23-5-3-18(10-22(23)26(31)30-13-17-2-1-8-28-12-17)21-7-9-29-14-19(21)15-32-20-4-6-24-25(11-20)34-16-33-24/h1-6,8,10-12,19,21,29H,7,9,13-16H2,(H,30,31)/t19-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Ki value against bovine alpha-L-fucosidase				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50260132 (CHEMBL4083142) Show SMILES COc1ccccc1CNC(=O)Cc1cc(ccc1F)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C29H31FN2O5/c1-34-26-5-3-2-4-20(26)16-32-29(33)13-21-12-19(6-8-25(21)30)24-10-11-31-15-22(24)17-35-23-7-9-27-28(14-23)37-18-36-27/h2-9,12,14,22,24,31H,10-11,13,15-18H2,1H3,(H,32,33)/t22-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Inhibitory concentration against alpha-galactosidase of coffee bean				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50260131 (CHEMBL4101136) Show SMILES COc1ccccc1CNC(=O)c1cc(ccc1F)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C28H29FN2O5/c1-33-25-5-3-2-4-19(25)15-31-28(32)23-12-18(6-8-24(23)29)22-10-11-30-14-20(22)16-34-21-7-9-26-27(13-21)36-17-35-26/h2-9,12-13,20,22,30H,10-11,14-17H2,1H3,(H,31,32)/t20-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Inhibitory concentration against bovine alpha-L-fucosidase				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50260128 (CHEMBL4071638) Show SMILES Fc1ccc(cc1C(=O)NCc1ccccc1C(F)(F)F)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C28H26F4N2O4/c29-24-7-5-17(11-22(24)27(35)34-14-18-3-1-2-4-23(18)28(30,31)32)21-9-10-33-13-19(21)15-36-20-6-8-25-26(12-20)38-16-37-25/h1-8,11-12,19,21,33H,9-10,13-16H2,(H,34,35)/t19-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Inhibitory concentration against beta-glucosidase				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50260127 (CHEMBL4091281) Show SMILES Fc1cccc(F)c1CNC(=O)c1cc(ccc1F)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C27H25F3N2O4/c28-22-2-1-3-23(29)21(22)13-32-27(33)20-10-16(4-6-24(20)30)19-8-9-31-12-17(19)14-34-18-5-7-25-26(11-18)36-15-35-25/h1-7,10-11,17,19,31H,8-9,12-15H2,(H,32,33)/t17-,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Ki value against bovine alpha-L-fucosidase				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50260126 (CHEMBL4073639) Show SMILES Fc1ccc(cc1C(=O)NCCc1ccccc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C28H29FN2O4/c29-25-8-6-20(14-24(25)28(32)31-13-10-19-4-2-1-3-5-19)23-11-12-30-16-21(23)17-33-22-7-9-26-27(15-22)35-18-34-26/h1-9,14-15,21,23,30H,10-13,16-18H2,(H,31,32)/t21-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Inhibitory concentration against alpha-galactosidase of coffee bean				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50260125 (CHEMBL4099398) Show SMILES Fc1ccc(cc1C(=O)NCc1ccccc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C27H27FN2O4/c28-24-8-6-19(12-23(24)27(31)30-14-18-4-2-1-3-5-18)22-10-11-29-15-20(22)16-32-21-7-9-25-26(13-21)34-17-33-25/h1-9,12-13,20,22,29H,10-11,14-17H2,(H,30,31)/t20-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Inhibitory concentration against human beta-glucosidase				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50173319 (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=1S/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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Inhibitory concentration against alpha-galactosidase of coffee bean				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM22416 ((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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Inhibition of bovine GRK1 (1 to 535 residues) after 5 mins after 5 mins in presence of ATP by phosphorimaging assay				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50529463 (CHEMBL4449730) Show SMILES CCC(=O)Nc1ccc(Nc2nc(Nc3ccccc3C(N)=O)c3cc[nH]c3n2)c(OC)c1 Show InChI InChI=1S/C23H23N7O3/c1-3-19(31)26-13-8-9-17(18(12-13)33-2)28-23-29-21-15(10-11-25-21)22(30-23)27-16-7-5-4-6-14(16)20(24)32/h4-12H,3H2,1-2H3,(H2,24,32)(H,26,31)(H3,25,27,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of bovine GRK1 using tubulin as substrate measured after 4 hrs by [gamma-32P]-ATP assay				ACS Med Chem Lett 10: 1628-1634 (2019) Article DOI: 10.1021/acsmedchemlett.9b00365 BindingDB Entry DOI: 10.7270/Q28W3HR8
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50529464 (CHEMBL4543927) Show SMILES CCC(=O)Nc1ccc(OC)c(Nc2nc(Nc3ccccc3C(N)=O)c3cc[nH]c3n2)c1 Show InChI InChI=1S/C23H23N7O3/c1-3-19(31)26-13-8-9-18(33-2)17(12-13)28-23-29-21-15(10-11-25-21)22(30-23)27-16-7-5-4-6-14(16)20(24)32/h4-12H,3H2,1-2H3,(H2,24,32)(H,26,31)(H3,25,27,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of bovine GRK1 using tubulin as substrate measured after 4 hrs by [gamma-32P]-ATP assay				ACS Med Chem Lett 10: 1628-1634 (2019) Article DOI: 10.1021/acsmedchemlett.9b00365 BindingDB Entry DOI: 10.7270/Q28W3HR8
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM27826 (4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine, 9 | 4...) Show SMILES CCCN1CCC(CC1)c1ccc(Nc2nc(Nc3cc(F)ccc3C(N)=O)c3cc[nH]c3n2)c(OC)c1 Show InChI InChI=1S/C28H32FN7O2/c1-3-12-36-13-9-17(10-14-36)18-4-7-22(24(15-18)38-2)33-28-34-26-21(8-11-31-26)27(35-28)32-23-16-19(29)5-6-20(23)25(30)37/h4-8,11,15-17H,3,9-10,12-14H2,1-2H3,(H2,30,37)(H3,31,32,33,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of BODIPY TR-ADP from bovine GRK1 (1 to 535 residues) preincubated for 10 mins followed by compound addition and measured after 10 to 15...				ACS Med Chem Lett 10: 1628-1634 (2019) Article DOI: 10.1021/acsmedchemlett.9b00365 BindingDB Entry DOI: 10.7270/Q28W3HR8
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50529465 (CHEMBL4464632) Show SMILES COc1cc(NC(=O)C=C)ccc1Nc1nc(Nc2ccccc2C(N)=O)c2cc[nH]c2n1 Show InChI InChI=1S/C23H21N7O3/c1-3-19(31)26-13-8-9-17(18(12-13)33-2)28-23-29-21-15(10-11-25-21)22(30-23)27-16-7-5-4-6-14(16)20(24)32/h3-12H,1H2,2H3,(H2,24,32)(H,26,31)(H3,25,27,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of bovine GRK1 using tubulin as substrate measured after 4 hrs by [gamma-32P]-ATP assay				ACS Med Chem Lett 10: 1628-1634 (2019) Article DOI: 10.1021/acsmedchemlett.9b00365 BindingDB Entry DOI: 10.7270/Q28W3HR8
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50529460 (CHEMBL4450181) Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1nc(Nc2ccccc2C(N)=O)c2cc[nH]c2n1 Show InChI InChI=1S/C23H21N7O3/c1-3-19(31)26-13-8-9-18(33-2)17(12-13)28-23-29-21-15(10-11-25-21)22(30-23)27-16-7-5-4-6-14(16)20(24)32/h3-12H,1H2,2H3,(H2,24,32)(H,26,31)(H3,25,27,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of bovine GRK1 using tubulin as substrate measured after 4 hrs by [gamma-32P]-ATP assay				ACS Med Chem Lett 10: 1628-1634 (2019) Article DOI: 10.1021/acsmedchemlett.9b00365 BindingDB Entry DOI: 10.7270/Q28W3HR8
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50260152 (CHEMBL4105100) Show SMILES Cn1nccc1CNC(=O)c1cc(ccc1F)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C25H27FN4O4/c1-30-18(6-9-29-30)13-28-25(31)21-10-16(2-4-22(21)26)20-7-8-27-12-17(20)14-32-19-3-5-23-24(11-19)34-15-33-23/h2-6,9-11,17,20,27H,7-8,12-15H2,1H3,(H,28,31)/t17-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Binding affinity towards serotonin transporter determined using [3H]paroxetine as radioligand				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50260151 (CHEMBL4076529) Show SMILES Fc1ccc(cc1C(=O)NCCc1cc[nH]n1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C25H27FN4O4/c26-22-3-1-16(11-21(22)25(31)28-9-5-18-6-10-29-30-18)20-7-8-27-13-17(20)14-32-19-2-4-23-24(12-19)34-15-33-23/h1-4,6,10-12,17,20,27H,5,7-9,13-15H2,(H,28,31)(H,29,30)/t17-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Binding affinity towards norepinephrine transporter determined using [3H]nisoxetine as radioligand				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50260150 (CHEMBL4084465) Show SMILES Fc1ccc(cc1CC(=O)NCCc1ccccn1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C28H30FN3O4/c29-25-6-4-19(13-20(25)14-28(33)32-12-8-22-3-1-2-10-31-22)24-9-11-30-16-21(24)17-34-23-5-7-26-27(15-23)36-18-35-26/h1-7,10,13,15,21,24,30H,8-9,11-12,14,16-18H2,(H,32,33)/t21-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Binding affinity of compound towards dopamine transporter determined using [3H]WIN-35 428 as radioligand				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50260138 (CHEMBL4075475) Show SMILES Fc1ccc(cc1C(=O)NCc1ncc[nH]1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C24H25FN4O4/c25-20-3-1-15(9-19(20)24(30)29-12-23-27-7-8-28-23)18-5-6-26-11-16(18)13-31-17-2-4-21-22(10-17)33-14-32-21/h1-4,7-10,16,18,26H,5-6,11-14H2,(H,27,28)(H,29,30)/t16-,18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Inhibition of bovine GRK1 (1 to 535 residues) after 5 mins after 5 mins in presence of ATP by phosphorimaging assay				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50260139 (CHEMBL4075712) Show SMILES Fc1ccc(cc1C(=O)NCCc1c[nH]cn1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C25H27FN4O4/c26-22-3-1-16(9-21(22)25(31)29-8-5-18-12-28-14-30-18)20-6-7-27-11-17(20)13-32-19-2-4-23-24(10-19)34-15-33-23/h1-4,9-10,12,14,17,20,27H,5-8,11,13,15H2,(H,28,30)(H,29,31)/t17-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Inhibition of bovine GRK1 (1 to 535 residues) after 5 mins after 5 mins in presence of ATP by phosphorimaging assay				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50260142 (CHEMBL4079362) Show SMILES Cn1ccc(CNC(=O)c2cc(ccc2F)[C@@H]2CCNC[C@H]2COc2ccc3OCOc3c2)n1 |r| Show InChI InChI=1S/C25H27FN4O4/c1-30-9-7-18(29-30)13-28-25(31)21-10-16(2-4-22(21)26)20-6-8-27-12-17(20)14-32-19-3-5-23-24(11-19)34-15-33-23/h2-5,7,9-11,17,20,27H,6,8,12-15H2,1H3,(H,28,31)/t17-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Inhibition of bovine GRK1 (1 to 535 residues) after 5 mins after 5 mins in presence of ATP by phosphorimaging assay				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50260143 (CHEMBL4087244) Show SMILES Fc1ccc(cc1C(=O)NCc1cn[nH]c1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C24H25FN4O4/c25-21-3-1-16(7-20(21)24(30)27-9-15-10-28-29-11-15)19-5-6-26-12-17(19)13-31-18-2-4-22-23(8-18)33-14-32-22/h1-4,7-8,10-11,17,19,26H,5-6,9,12-14H2,(H,27,30)(H,28,29)/t17-,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Inhibition of bovine GRK1 (1 to 535 residues) after 5 mins after 5 mins in presence of ATP by phosphorimaging assay				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50260144 (CHEMBL4081802) Show SMILES Fc1ccc(cc1C(=O)NCCc1cn[nH]c1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C25H27FN4O4/c26-22-3-1-17(9-21(22)25(31)28-8-5-16-11-29-30-12-16)20-6-7-27-13-18(20)14-32-19-2-4-23-24(10-19)34-15-33-23/h1-4,9-12,18,20,27H,5-8,13-15H2,(H,28,31)(H,29,30)/t18-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Inhibition of bovine GRK1 (1 to 535 residues) after 5 mins after 5 mins in presence of ATP by phosphorimaging assay				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50260145 (CHEMBL4070290) Show SMILES Fc1ccc(cc1CC(=O)NCCc1cn[nH]c1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C26H29FN4O4/c27-23-3-1-18(9-19(23)10-26(32)29-8-5-17-12-30-31-13-17)22-6-7-28-14-20(22)15-33-21-2-4-24-25(11-21)35-16-34-24/h1-4,9,11-13,20,22,28H,5-8,10,14-16H2,(H,29,32)(H,30,31)/t20-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Inhibition of bovine GRK1 (1 to 535 residues) after 5 mins after 5 mins in presence of ATP by phosphorimaging assay				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50173320 (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=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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Binding affinity of compound towards dopamine transporter determined using [3H]WIN-35 428 as radioligand				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50260154 (CHEMBL4077133) Show SMILES CNC(=O)c1cc(ccc1F)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C21H23FN2O4/c1-23-21(25)17-8-13(2-4-18(17)22)16-6-7-24-10-14(16)11-26-15-3-5-19-20(9-15)28-12-27-19/h2-5,8-9,14,16,24H,6-7,10-12H2,1H3,(H,23,25)/t14-,16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Binding affinity towards norepinephrine transporter determined using [3H]nisoxetine as radioligand				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50260146 (CHEMBL4064274) Show SMILES Fc1cccc(F)c1CCNC(=O)c1cc(ccc1F)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C28H27F3N2O4/c29-23-2-1-3-24(30)21(23)9-11-33-28(34)22-12-17(4-6-25(22)31)20-8-10-32-14-18(20)15-35-19-5-7-26-27(13-19)37-16-36-26/h1-7,12-13,18,20,32H,8-11,14-16H2,(H,33,34)/t18-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Binding affinity towards norepinephrine transporter determined using [3H]nisoxetine as radioligand				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50260148 (CHEMBL4070885) Show SMILES Fc1ccc(cc1C(=O)NCc1ccccn1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C26H26FN3O4/c27-23-6-4-17(11-22(23)26(31)30-14-19-3-1-2-9-29-19)21-8-10-28-13-18(21)15-32-20-5-7-24-25(12-20)34-16-33-24/h1-7,9,11-12,18,21,28H,8,10,13-16H2,(H,30,31)/t18-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Binding affinity of compound towards dopamine transporter determined using [3H]WIN-35 428 as radioligand				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50260149 (CHEMBL4074476) Show SMILES Fc1ccc(cc1C(=O)NCCc1cccnc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C27H28FN3O4/c28-24-5-3-19(12-23(24)27(32)31-11-7-18-2-1-9-29-14-18)22-8-10-30-15-20(22)16-33-21-4-6-25-26(13-21)35-17-34-25/h1-6,9,12-14,20,22,30H,7-8,10-11,15-17H2,(H,31,32)/t20-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Binding affinity of compound towards dopamine transporter determined using [3H]WIN-35 428 as radioligand				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50331515 (CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...) Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r| 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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	1.58E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of C-terminal hexahistidine tagged bovine GRK1 (535 residues) assessed as decrease in phosphorylation of tubulin preincubated for 30 mins ...				J Med Chem 59: 9277-9294 (2016) BindingDB Entry DOI: 10.7270/Q2348NB9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50331515 (CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...) Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r| 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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	3.16E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of C-terminal hexahistidine tagged bovine GRK1 (535 residues) assessed as decrease in phosphorylation of light-activated bovine rod outer ...				J Med Chem 59: 9277-9294 (2016) BindingDB Entry DOI: 10.7270/Q2348NB9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50331515 (CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...) Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r| 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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	3.98E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of bovine GRK1 (1 to 535 residues) assessed as decrease in phosphorylation of tubulin after 5 mins by SDS-PAGE analysis				J Med Chem 59: 9277-9294 (2016) BindingDB Entry DOI: 10.7270/Q2348NB9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Rhodopsin kinase GRK1 (Bos taurus)	BDBM14052 (N-(1H-indazol-5-yl)-2-methyl-4-(naphthalen-2-yl)-6...) Show SMILES CC1=C(C(CC(=O)N1)c1ccc2ccccc2c1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1| Show InChI InChI=1S/C24H20N4O2/c1-14-23(24(30)27-19-8-9-21-18(11-19)13-25-28-21)20(12-22(29)26-14)17-7-6-15-4-2-3-5-16(15)10-17/h2-11,13,20H,12H2,1H3,(H,25,28)(H,26,29)(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.94E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of bovine GRK1 (1 to 535 residues) assessed as decrease in phosphorylation of tubulin after 5 mins by SDS-PAGE analysis				J Med Chem 59: 9277-9294 (2016) BindingDB Entry DOI: 10.7270/Q2348NB9
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM14056 (N-(7-chloro-1H-indazol-5-yl)-2-methyl-6-oxo-4-[4-(...) Show SMILES CC1=C(C(CC(=O)N1)c1ccc(cc1)C(F)(F)F)C(=O)Nc1cc(Cl)c2[nH]ncc2c1 |t:1| Show InChI InChI=1S/C21H16ClF3N4O2/c1-10-18(20(31)28-14-6-12-9-26-29-19(12)16(22)7-14)15(8-17(30)27-10)11-2-4-13(5-3-11)21(23,24)25/h2-7,9,15H,8H2,1H3,(H,26,29)(H,27,30)(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of bovine GRK1 (1 to 535 residues) assessed as decrease in phosphorylation of tubulin after 5 mins by SDS-PAGE analysis				J Med Chem 59: 9277-9294 (2016) BindingDB Entry DOI: 10.7270/Q2348NB9
					More data for this Ligand-Target Pair
Rhodopsin kinase GRK1 (Bos taurus)	BDBM50173320 (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=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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of bovine GRK1 (1 to 535 residues) assessed as decrease in phosphorylation of tubulin after 5 mins by SDS-PAGE analysis				J Med Chem 59: 9277-9294 (2016) BindingDB Entry DOI: 10.7270/Q2348NB9
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 52 total )  |  Next  |  Last  >>

Jump to: