Compile Data Set for Download or QSAR

Found 390 hits with Last Name = 'mathea' and Initial = 's'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM92913 (Aryl 1-indanylketone, 2) Show SMILES Nc1cc(F)cc(-c2ccc(O)c(c2)C(=O)C2CCc3ccccc23)c1O Show InChI InChI=1S/C22H18FNO3/c23-14-10-17(22(27)19(24)11-14)13-6-8-20(25)18(9-13)21(26)16-7-5-12-3-1-2-4-15(12)16/h1-4,6,8-11,16,25,27H,5,7,24H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	300	-34.7	n/a	n/a	n/a	n/a	n/a	7.8	5
Max Planck Research					Assay Description PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...				Biochemistry 48: 6268-77 (2009) Article DOI: 10.1021/bi9007287 BindingDB Entry DOI: 10.7270/Q2X34W26
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM92912 (Aryl 1-indanylketone, 1) Show SMILES Oc1c(cc(cc1N(=O)=O)-c1cc(F)cc(c1O)N(=O)=O)C(=O)C1CCc2ccccc12 Show InChI InChI=1S/C22H15FN2O7/c23-13-9-16(21(27)19(10-13)25(31)32)12-7-17(22(28)18(8-12)24(29)30)20(26)15-6-5-11-3-1-2-4-14(11)15/h1-4,7-10,15,27-28H,5-6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	520	-33.5	n/a	n/a	n/a	n/a	n/a	7.8	5
Max Planck Research					Assay Description PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...				Biochemistry 48: 6268-77 (2009) Article DOI: 10.1021/bi9007287 BindingDB Entry DOI: 10.7270/Q2X34W26
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM92915 (Aryl 1-indanylketone, 4) Show SMILES COc1ccc(cc1C(=O)C1CCc2ccccc12)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C24H19F3O3/c1-29-22-13-9-17(15-6-10-18(11-7-15)30-24(25,26)27)14-21(22)23(28)20-12-8-16-4-2-3-5-19(16)20/h2-7,9-11,13-14,20H,8,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+3	-31.5	n/a	n/a	n/a	n/a	n/a	7.8	5
Max Planck Research					Assay Description PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...				Biochemistry 48: 6268-77 (2009) Article DOI: 10.1021/bi9007287 BindingDB Entry DOI: 10.7270/Q2X34W26
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM92914 (Aryl 1-indanylketone, 3) Show SMILES COc1ccc(F)cc1-c1cc(N)c(O)c(c1)C(=O)C1CCc2ccccc12 Show InChI InChI=1S/C23H20FNO3/c1-28-21-9-7-15(24)12-18(21)14-10-19(23(27)20(25)11-14)22(26)17-8-6-13-4-2-3-5-16(13)17/h2-5,7,9-12,17,27H,6,8,25H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	-30.7	n/a	n/a	n/a	n/a	n/a	7.8	5
Max Planck Research					Assay Description PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...				Biochemistry 48: 6268-77 (2009) Article DOI: 10.1021/bi9007287 BindingDB Entry DOI: 10.7270/Q2X34W26
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase B (Homo sapiens (Human))	BDBM92915 (Aryl 1-indanylketone, 4) Show SMILES COc1ccc(cc1C(=O)C1CCc2ccccc12)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C24H19F3O3/c1-29-22-13-9-17(15-6-10-18(11-7-15)30-24(25,26)27)14-21(22)23(28)20-12-8-16-4-2-3-5-19(16)20/h2-7,9-11,13-14,20H,8,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10E+3	-30.2	n/a	n/a	n/a	n/a	n/a	7.8	5
Max Planck Research					Assay Description PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...				Biochemistry 48: 6268-77 (2009) Article DOI: 10.1021/bi9007287 BindingDB Entry DOI: 10.7270/Q2X34W26
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM92912 (Aryl 1-indanylketone, 1) Show SMILES Oc1c(cc(cc1N(=O)=O)-c1cc(F)cc(c1O)N(=O)=O)C(=O)C1CCc2ccccc12 Show InChI InChI=1S/C22H15FN2O7/c23-13-9-16(21(27)19(10-13)25(31)32)12-7-17(22(28)18(8-12)24(29)30)20(26)15-6-5-11-3-1-2-4-14(11)15/h1-4,7-10,15,27-28H,5-6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	2.42E+3	-29.9	n/a	n/a	n/a	n/a	n/a	7.8	5
Max Planck Research					Assay Description PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...				Biochemistry 48: 6268-77 (2009) Article DOI: 10.1021/bi9007287 BindingDB Entry DOI: 10.7270/Q2X34W26
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM92913 (Aryl 1-indanylketone, 2) Show SMILES Nc1cc(F)cc(-c2ccc(O)c(c2)C(=O)C2CCc3ccccc23)c1O Show InChI InChI=1S/C22H18FNO3/c23-14-10-17(22(27)19(24)11-14)13-6-8-20(25)18(9-13)21(26)16-7-5-12-3-1-2-4-15(12)16/h1-4,6,8-11,16,25,27H,5,7,24H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.28E+3	-27.7	n/a	n/a	n/a	n/a	n/a	7.8	5
Max Planck Research					Assay Description PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...				Biochemistry 48: 6268-77 (2009) Article DOI: 10.1021/bi9007287 BindingDB Entry DOI: 10.7270/Q2X34W26
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase B (Homo sapiens (Human))	BDBM92914 (Aryl 1-indanylketone, 3) Show SMILES COc1ccc(F)cc1-c1cc(N)c(O)c(c1)C(=O)C1CCc2ccccc12 Show InChI InChI=1S/C23H20FNO3/c1-28-21-9-7-15(24)12-18(21)14-10-19(23(27)20(25)11-14)22(26)17-8-6-13-4-2-3-5-16(13)17/h2-5,7,9-12,17,27H,6,8,25H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.60E+3	-27.0	n/a	n/a	n/a	n/a	n/a	7.8	5
Max Planck Research					Assay Description PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...				Biochemistry 48: 6268-77 (2009) Article DOI: 10.1021/bi9007287 BindingDB Entry DOI: 10.7270/Q2X34W26
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM92916 (Aryl 1-indanylketone, 5) Show SMILES COc1ccc(cc1C(=O)C1CCc2ccccc12)C(F)(F)F Show InChI InChI=1S/C18H15F3O2/c1-23-16-9-7-12(18(19,20)21)10-15(16)17(22)14-8-6-11-4-2-3-5-13(11)14/h2-5,7,9-10,14H,6,8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+4	-26.6	n/a	n/a	n/a	n/a	n/a	7.8	5
Max Planck Research					Assay Description PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...				Biochemistry 48: 6268-77 (2009) Article DOI: 10.1021/bi9007287 BindingDB Entry DOI: 10.7270/Q2X34W26
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase B (Homo sapiens (Human))	BDBM92913 (Aryl 1-indanylketone, 2) Show SMILES Nc1cc(F)cc(-c2ccc(O)c(c2)C(=O)C2CCc3ccccc23)c1O Show InChI InChI=1S/C22H18FNO3/c23-14-10-17(22(27)19(24)11-14)13-6-8-20(25)18(9-13)21(26)16-7-5-12-3-1-2-4-15(12)16/h1-4,6,8-11,16,25,27H,5,7,24H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.20E+4	-26.2	n/a	n/a	n/a	n/a	n/a	7.8	5
Max Planck Research					Assay Description PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...				Biochemistry 48: 6268-77 (2009) Article DOI: 10.1021/bi9007287 BindingDB Entry DOI: 10.7270/Q2X34W26
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM92918 (Benzofuranone, 7) Show SMILES COc1ccc2OC(=O)C3(CC(C)c4ccccc34)c2c1 Show InChI InChI=1S/C18H16O3/c1-11-10-18(14-6-4-3-5-13(11)14)15-9-12(20-2)7-8-16(15)21-17(18)19/h3-9,11H,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10E+4	-24.9	n/a	n/a	n/a	n/a	n/a	7.8	5
Max Planck Research					Assay Description PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...				Biochemistry 48: 6268-77 (2009) Article DOI: 10.1021/bi9007287 BindingDB Entry DOI: 10.7270/Q2X34W26
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase-like 1 (Homo sapiens (Human))	BDBM92912 (Aryl 1-indanylketone, 1) Show SMILES Oc1c(cc(cc1N(=O)=O)-c1cc(F)cc(c1O)N(=O)=O)C(=O)C1CCc2ccccc12 Show InChI InChI=1S/C22H15FN2O7/c23-13-9-16(21(27)19(10-13)25(31)32)12-7-17(22(28)18(8-12)24(29)30)20(26)15-6-5-11-3-1-2-4-14(11)15/h1-4,7-10,15,27-28H,5-6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	2.90E+4	-24.2	n/a	n/a	n/a	n/a	n/a	7.8	5
Max Planck Research					Assay Description PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...				Biochemistry 48: 6268-77 (2009) Article DOI: 10.1021/bi9007287 BindingDB Entry DOI: 10.7270/Q2X34W26
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase B (Homo sapiens (Human))	BDBM92920 (Benzofuranone, 9) Show SMILES COc1ccc2OC3(Cc4ccccc4C3)C(=O)c2c1 Show InChI InChI=1S/C17H14O3/c1-19-13-6-7-15-14(8-13)16(18)17(20-15)9-11-4-2-3-5-12(11)10-17/h2-8H,9-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.30E+4	-22.4	n/a	n/a	n/a	n/a	n/a	7.8	5
Max Planck Research					Assay Description PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...				Biochemistry 48: 6268-77 (2009) Article DOI: 10.1021/bi9007287 BindingDB Entry DOI: 10.7270/Q2X34W26
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase B (Homo sapiens (Human))	BDBM92916 (Aryl 1-indanylketone, 5) Show SMILES COc1ccc(cc1C(=O)C1CCc2ccccc12)C(F)(F)F Show InChI InChI=1S/C18H15F3O2/c1-23-16-9-7-12(18(19,20)21)10-15(16)17(22)14-8-6-11-4-2-3-5-13(11)14/h2-5,7,9-10,14H,6,8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	>-21.3	n/a	n/a	n/a	n/a	n/a	7.8	5
Max Planck Research					Assay Description PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...				Biochemistry 48: 6268-77 (2009) Article DOI: 10.1021/bi9007287 BindingDB Entry DOI: 10.7270/Q2X34W26
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase B (Homo sapiens (Human))	BDBM92917 (Aryl 1-indanylketone, 6) Show SMILES COc1ccc(F)cc1C(=O)C1(C)CCc2ccccc12 Show InChI InChI=1S/C18H17FO2/c1-18(10-9-12-5-3-4-6-15(12)18)17(20)14-11-13(19)7-8-16(14)21-2/h3-8,11H,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	>-21.3	n/a	n/a	n/a	n/a	n/a	7.8	5
Max Planck Research					Assay Description PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...				Biochemistry 48: 6268-77 (2009) Article DOI: 10.1021/bi9007287 BindingDB Entry DOI: 10.7270/Q2X34W26
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase B (Homo sapiens (Human))	BDBM92918 (Benzofuranone, 7) Show SMILES COc1ccc2OC(=O)C3(CC(C)c4ccccc34)c2c1 Show InChI InChI=1S/C18H16O3/c1-11-10-18(14-6-4-3-5-13(11)14)15-9-12(20-2)7-8-16(15)21-17(18)19/h3-9,11H,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	>-21.3	n/a	n/a	n/a	n/a	n/a	7.8	5
Max Planck Research					Assay Description PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...				Biochemistry 48: 6268-77 (2009) Article DOI: 10.1021/bi9007287 BindingDB Entry DOI: 10.7270/Q2X34W26
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase B (Homo sapiens (Human))	BDBM92919 (Benzofuranone, 8) Show SMILES O=C1Oc2ccccc2C11Cc2ccccc2C1 Show InChI InChI=1S/C16H12O2/c17-15-16(13-7-3-4-8-14(13)18-15)9-11-5-1-2-6-12(11)10-16/h1-8H,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	>-21.3	n/a	n/a	n/a	n/a	n/a	7.8	5
Max Planck Research					Assay Description PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...				Biochemistry 48: 6268-77 (2009) Article DOI: 10.1021/bi9007287 BindingDB Entry DOI: 10.7270/Q2X34W26
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase C (Homo sapiens (Human))	BDBM92912 (Aryl 1-indanylketone, 1) Show SMILES Oc1c(cc(cc1N(=O)=O)-c1cc(F)cc(c1O)N(=O)=O)C(=O)C1CCc2ccccc12 Show InChI InChI=1S/C22H15FN2O7/c23-13-9-16(21(27)19(10-13)25(31)32)12-7-17(22(28)18(8-12)24(29)30)20(26)15-6-5-11-3-1-2-4-14(11)15/h1-4,7-10,15,27-28H,5-6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	>-21.3	n/a	n/a	n/a	n/a	n/a	7.8	5
Max Planck Research					Assay Description PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...				Biochemistry 48: 6268-77 (2009) Article DOI: 10.1021/bi9007287 BindingDB Entry DOI: 10.7270/Q2X34W26
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM92919 (Benzofuranone, 8) Show SMILES O=C1Oc2ccccc2C11Cc2ccccc2C1 Show InChI InChI=1S/C16H12O2/c17-15-16(13-7-3-4-8-14(13)18-15)9-11-5-1-2-6-12(11)10-16/h1-8H,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	>-21.3	n/a	n/a	n/a	n/a	n/a	7.8	5
Max Planck Research					Assay Description PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...				Biochemistry 48: 6268-77 (2009) Article DOI: 10.1021/bi9007287 BindingDB Entry DOI: 10.7270/Q2X34W26
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase H (Homo sapiens (Human))	BDBM92912 (Aryl 1-indanylketone, 1) Show SMILES Oc1c(cc(cc1N(=O)=O)-c1cc(F)cc(c1O)N(=O)=O)C(=O)C1CCc2ccccc12 Show InChI InChI=1S/C22H15FN2O7/c23-13-9-16(21(27)19(10-13)25(31)32)12-7-17(22(28)18(8-12)24(29)30)20(26)15-6-5-11-3-1-2-4-14(11)15/h1-4,7-10,15,27-28H,5-6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	>-21.3	n/a	n/a	n/a	n/a	n/a	7.8	5
Max Planck Research					Assay Description PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...				Biochemistry 48: 6268-77 (2009) Article DOI: 10.1021/bi9007287 BindingDB Entry DOI: 10.7270/Q2X34W26
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase C (Homo sapiens (Human))	BDBM92913 (Aryl 1-indanylketone, 2) Show SMILES Nc1cc(F)cc(-c2ccc(O)c(c2)C(=O)C2CCc3ccccc23)c1O Show InChI InChI=1S/C22H18FNO3/c23-14-10-17(22(27)19(24)11-14)13-6-8-20(25)18(9-13)21(26)16-7-5-12-3-1-2-4-15(12)16/h1-4,6,8-11,16,25,27H,5,7,24H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	>-21.3	n/a	n/a	n/a	n/a	n/a	7.8	5
Max Planck Research					Assay Description PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...				Biochemistry 48: 6268-77 (2009) Article DOI: 10.1021/bi9007287 BindingDB Entry DOI: 10.7270/Q2X34W26
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase-like 1 (Homo sapiens (Human))	BDBM92913 (Aryl 1-indanylketone, 2) Show SMILES Nc1cc(F)cc(-c2ccc(O)c(c2)C(=O)C2CCc3ccccc23)c1O Show InChI InChI=1S/C22H18FNO3/c23-14-10-17(22(27)19(24)11-14)13-6-8-20(25)18(9-13)21(26)16-7-5-12-3-1-2-4-15(12)16/h1-4,6,8-11,16,25,27H,5,7,24H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	>-21.3	n/a	n/a	n/a	n/a	n/a	7.8	5
Max Planck Research					Assay Description PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...				Biochemistry 48: 6268-77 (2009) Article DOI: 10.1021/bi9007287 BindingDB Entry DOI: 10.7270/Q2X34W26
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM92917 (Aryl 1-indanylketone, 6) Show SMILES COc1ccc(F)cc1C(=O)C1(C)CCc2ccccc12 Show InChI InChI=1S/C18H17FO2/c1-18(10-9-12-5-3-4-6-15(12)18)17(20)14-11-13(19)7-8-16(14)21-2/h3-8,11H,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	>-21.3	n/a	n/a	n/a	n/a	n/a	7.8	5
Max Planck Research					Assay Description PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...				Biochemistry 48: 6268-77 (2009) Article DOI: 10.1021/bi9007287 BindingDB Entry DOI: 10.7270/Q2X34W26
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase B (Homo sapiens (Human))	BDBM92912 (Aryl 1-indanylketone, 1) Show SMILES Oc1c(cc(cc1N(=O)=O)-c1cc(F)cc(c1O)N(=O)=O)C(=O)C1CCc2ccccc12 Show InChI InChI=1S/C22H15FN2O7/c23-13-9-16(21(27)19(10-13)25(31)32)12-7-17(22(28)18(8-12)24(29)30)20(26)15-6-5-11-3-1-2-4-14(11)15/h1-4,7-10,15,27-28H,5-6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	>-21.3	n/a	n/a	n/a	n/a	n/a	7.8	5
Max Planck Research					Assay Description PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...				Biochemistry 48: 6268-77 (2009) Article DOI: 10.1021/bi9007287 BindingDB Entry DOI: 10.7270/Q2X34W26
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM92920 (Benzofuranone, 9) Show SMILES COc1ccc2OC3(Cc4ccccc4C3)C(=O)c2c1 Show InChI InChI=1S/C17H14O3/c1-19-13-6-7-15-14(8-13)16(18)17(20-15)9-11-4-2-3-5-12(11)10-17/h2-8H,9-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	>-21.3	n/a	n/a	n/a	n/a	n/a	7.8	5
Max Planck Research					Assay Description PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...				Biochemistry 48: 6268-77 (2009) Article DOI: 10.1021/bi9007287 BindingDB Entry DOI: 10.7270/Q2X34W26
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase H (Homo sapiens (Human))	BDBM92913 (Aryl 1-indanylketone, 2) Show SMILES Nc1cc(F)cc(-c2ccc(O)c(c2)C(=O)C2CCc3ccccc23)c1O Show InChI InChI=1S/C22H18FNO3/c23-14-10-17(22(27)19(24)11-14)13-6-8-20(25)18(9-13)21(26)16-7-5-12-3-1-2-4-15(12)16/h1-4,6,8-11,16,25,27H,5,7,24H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	>-21.3	n/a	n/a	n/a	n/a	n/a	7.8	5
Max Planck Research					Assay Description PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...				Biochemistry 48: 6268-77 (2009) Article DOI: 10.1021/bi9007287 BindingDB Entry DOI: 10.7270/Q2X34W26
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM13216 (BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...) Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CSF1R (unknown origin) by enzymatic assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00440 BindingDB Entry DOI: 10.7270/Q27S7SND
					More data for this Ligand-Target Pair
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50044004 (CHEMBL3356433) Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1 Show InChI InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01106 BindingDB Entry DOI: 10.7270/Q23R0XVH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50586579 (CHEMBL5081039) Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnn(c2N)-c2ccccc2)cc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of p38alpha (unknown origin) expressed in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs by NanoBRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00868 BindingDB Entry DOI: 10.7270/Q2X352CP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 17A (Homo sapiens (Human))	BDBM50585203 (CHEMBL5085430) Show SMILES Brc1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)C1CCC1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of tracer K9 from NLuc fused DRAK1 (unknown origin) expressed in HEK293 cells by NanoBRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00440 BindingDB Entry DOI: 10.7270/Q27S7SND
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50586590 (CHEMBL5087073) Show SMILES CC(NC(=O)c1cnc2ccccn12)c1ccc(cc1)C(=O)N[C@H](CCC1CCCCC1)C(=O)NC1CCCN(C1)S(C)(=O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DDR2 (unknown origin) expressed in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs by NanoBRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00868 BindingDB Entry DOI: 10.7270/Q2X352CP
					More data for this Ligand-Target Pair
LIM domain kinase 1 (Homo sapiens (Human))	BDBM50591090 (CHEMBL2141887) Show SMILES CC(C)C(=O)Nc1ncc(s1)-c1cc(nn1-c1c(Cl)cccc1Cl)C(F)F |(.04,3.6,;-1.29,2.83,;-2.62,3.6,;-1.29,1.29,;.04,.52,;-2.62,.52,;-2.62,-1.02,;-1.38,-1.93,;-1.85,-3.39,;-3.39,-3.39,;-3.87,-1.93,;-4.3,-4.64,;-5.84,-4.64,;-6.31,-6.1,;-5.07,-7.01,;-3.82,-6.1,;-2.36,-6.58,;-1.21,-5.55,;-1.53,-4.04,;.25,-6.03,;.57,-7.53,;-.57,-8.56,;-2.04,-8.09,;-3.18,-9.12,;-7.78,-6.58,;-8.92,-5.55,;-8.1,-8.09,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01106 BindingDB Entry DOI: 10.7270/Q23R0XVH
					More data for this Ligand-Target Pair				3D Structure (crystal)
LIM domain kinase 1 (Homo sapiens (Human))	BDBM50591091 (CHEMBL5169387) Show SMILES CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01106 BindingDB Entry DOI: 10.7270/Q23R0XVH
					More data for this Ligand-Target Pair				3D Structure (crystal)
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50591090 (CHEMBL2141887) Show SMILES CC(C)C(=O)Nc1ncc(s1)-c1cc(nn1-c1c(Cl)cccc1Cl)C(F)F |(.04,3.6,;-1.29,2.83,;-2.62,3.6,;-1.29,1.29,;.04,.52,;-2.62,.52,;-2.62,-1.02,;-1.38,-1.93,;-1.85,-3.39,;-3.39,-3.39,;-3.87,-1.93,;-4.3,-4.64,;-5.84,-4.64,;-6.31,-6.1,;-5.07,-7.01,;-3.82,-6.1,;-2.36,-6.58,;-1.21,-5.55,;-1.53,-4.04,;.25,-6.03,;.57,-7.53,;-.57,-8.56,;-2.04,-8.09,;-3.18,-9.12,;-7.78,-6.58,;-8.92,-5.55,;-8.1,-8.09,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01106 BindingDB Entry DOI: 10.7270/Q23R0XVH
					More data for this Ligand-Target Pair				3D Structure (crystal)
LIM domain kinase 1 (Homo sapiens (Human))	BDBM50591091 (CHEMBL5169387) Show SMILES CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01106 BindingDB Entry DOI: 10.7270/Q23R0XVH
					More data for this Ligand-Target Pair				3D Structure (crystal)
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50591090 (CHEMBL2141887) Show SMILES CC(C)C(=O)Nc1ncc(s1)-c1cc(nn1-c1c(Cl)cccc1Cl)C(F)F |(.04,3.6,;-1.29,2.83,;-2.62,3.6,;-1.29,1.29,;.04,.52,;-2.62,.52,;-2.62,-1.02,;-1.38,-1.93,;-1.85,-3.39,;-3.39,-3.39,;-3.87,-1.93,;-4.3,-4.64,;-5.84,-4.64,;-6.31,-6.1,;-5.07,-7.01,;-3.82,-6.1,;-2.36,-6.58,;-1.21,-5.55,;-1.53,-4.04,;.25,-6.03,;.57,-7.53,;-.57,-8.56,;-2.04,-8.09,;-3.18,-9.12,;-7.78,-6.58,;-8.92,-5.55,;-8.1,-8.09,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01106 BindingDB Entry DOI: 10.7270/Q23R0XVH
					More data for this Ligand-Target Pair				3D Structure (crystal)
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50591091 (CHEMBL5169387) Show SMILES CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01106 BindingDB Entry DOI: 10.7270/Q23R0XVH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50556597 (CHEMBL4756586) Show SMILES CCNC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnn(c2N)-c2ccccc2)cc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of p38alpha (unknown origin) expressed in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs by NanoBRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00868 BindingDB Entry DOI: 10.7270/Q2X352CP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 17A (Homo sapiens (Human))	BDBM50606011 (CHEMBL5191892) Show SMILES C[C@H](NC(=O)c1ccc-2cc1OCCOCCNc1ccn3ncc-2c3n1)c1ccncc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00173 BindingDB Entry DOI: 10.7270/Q2NC6587
					More data for this Ligand-Target Pair
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50591082 (CHEMBL4790618) Show SMILES CCCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01106 BindingDB Entry DOI: 10.7270/Q23R0XVH
					More data for this Ligand-Target Pair
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50591090 (CHEMBL2141887) Show SMILES CC(C)C(=O)Nc1ncc(s1)-c1cc(nn1-c1c(Cl)cccc1Cl)C(F)F |(.04,3.6,;-1.29,2.83,;-2.62,3.6,;-1.29,1.29,;.04,.52,;-2.62,.52,;-2.62,-1.02,;-1.38,-1.93,;-1.85,-3.39,;-3.39,-3.39,;-3.87,-1.93,;-4.3,-4.64,;-5.84,-4.64,;-6.31,-6.1,;-5.07,-7.01,;-3.82,-6.1,;-2.36,-6.58,;-1.21,-5.55,;-1.53,-4.04,;.25,-6.03,;.57,-7.53,;-.57,-8.56,;-2.04,-8.09,;-3.18,-9.12,;-7.78,-6.58,;-8.92,-5.55,;-8.1,-8.09,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01106 BindingDB Entry DOI: 10.7270/Q23R0XVH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50556598 (CHEMBL4778587) Show SMILES CCCNC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnn(c2N)-c2ccccc2)cc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of p38alpha (unknown origin) expressed in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs by NanoBRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00868 BindingDB Entry DOI: 10.7270/Q2X352CP
					More data for this Ligand-Target Pair
LIM domain kinase 1 (Homo sapiens (Human))	BDBM50591090 (CHEMBL2141887) Show SMILES CC(C)C(=O)Nc1ncc(s1)-c1cc(nn1-c1c(Cl)cccc1Cl)C(F)F |(.04,3.6,;-1.29,2.83,;-2.62,3.6,;-1.29,1.29,;.04,.52,;-2.62,.52,;-2.62,-1.02,;-1.38,-1.93,;-1.85,-3.39,;-3.39,-3.39,;-3.87,-1.93,;-4.3,-4.64,;-5.84,-4.64,;-6.31,-6.1,;-5.07,-7.01,;-3.82,-6.1,;-2.36,-6.58,;-1.21,-5.55,;-1.53,-4.04,;.25,-6.03,;.57,-7.53,;-.57,-8.56,;-2.04,-8.09,;-3.18,-9.12,;-7.78,-6.58,;-8.92,-5.55,;-8.1,-8.09,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01106 BindingDB Entry DOI: 10.7270/Q23R0XVH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM13216 (BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...) Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of NanoLuc-fused CSF1R (unknown origin) expressed in HEK293 cells incubated for 2 hrs by NanoBRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00440 BindingDB Entry DOI: 10.7270/Q27S7SND
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50586589 (SR-302) Show SMILES CS(=O)(=O)N1CCCC(C1)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnc3ccccn23)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DDR2 (unknown origin) expressed in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs by NanoBRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00868 BindingDB Entry DOI: 10.7270/Q2X352CP
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50585187 (CHEMBL5079601) Show SMILES Cc1nn(CC(F)(F)F)cc1Nc1ncc(C2CC2)c(NCCCNC(=O)C2CCC2)n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human LRRK2 (970 to end residues) using RLGRDKYKTLRQIRQ as substrate incubated for 40 mins in presence of [gamma-33P-ATP] b...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00440 BindingDB Entry DOI: 10.7270/Q27S7SND
					More data for this Ligand-Target Pair
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50591091 (CHEMBL5169387) Show SMILES CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01106 BindingDB Entry DOI: 10.7270/Q23R0XVH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50586589 (SR-302) Show SMILES CS(=O)(=O)N1CCCC(C1)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnc3ccccn23)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DDR1 (unknown origin) expressed in HEK293T cells using NanoBRET NanoGlo substrate incubated for 2 hrs by NanoBRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00868 BindingDB Entry DOI: 10.7270/Q2X352CP
					More data for this Ligand-Target Pair
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50072664 (CHEMBL3410036) Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccccc4)cc3)c12 Show InChI InChI=1S/C22H21N5O2/c1-15-13-23-21-19(15)20(24-14-25-21)16-7-9-17(10-8-16)26-22(29)27(11-12-28)18-5-3-2-4-6-18/h2-10,13-14,28H,11-12H2,1H3,(H,26,29)(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01106 BindingDB Entry DOI: 10.7270/Q23R0XVH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 17A (Homo sapiens (Human))	BDBM50606014 (CHEMBL5193635) Show SMILES CC(NC(=O)c1ccc-2cc1OCCOCCNc1ccn3ncc-2c3n1)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00173 BindingDB Entry DOI: 10.7270/Q2NC6587
					More data for this Ligand-Target Pair

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