Compile Data Set for Download or QSAR

Found 125 hits with Last Name = 'nguyen' and Initial = 'hd'   

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
RAC-alpha serine/threonine-protein kinase [E49C,C296S,C310S,C344S] (Homo sapiens (Human))	BDBM25013 (4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S...) Show SMILES CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r| Show InChI InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität Dortmund					Assay Description IC50 determinations for activated Akt1 were measured with the KinEASE assay (Cisbio) according to the manufacturer’s instructions. The kinases A...				ACS Chem Biol 10: 279-88 (2015) Article DOI: 10.1021/cb500355c BindingDB Entry DOI: 10.7270/Q218358G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Discoidin domain-containing receptor 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of wild type DDR2 (unknown origin) preincubated for 30 mins before substrate addition by FRET assay				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50437147 (CHEMBL2403875) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Nc3ncnc4ccccc34)c2)n(n1)-c1cccc(N)c1 Show InChI InChI=1S/C28H28N8O/c1-28(2,3)24-16-25(36(35-24)21-11-6-8-18(29)14-21)34-27(37)33-20-10-7-9-19(15-20)32-26-22-12-4-5-13-23(22)30-17-31-26/h4-17H,29H2,1-3H3,(H,30,31,32)(H2,33,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of wild type DDR2 (unknown origin) preincubated for 30 mins before substrate addition by FRET assay				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50237710 (4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...) Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of wild type DDR2 (unknown origin) preincubated for 30 mins before substrate addition by FRET assay				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50437152 (CHEMBL2403816) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4ccccc34)cc2)n(n1)-c1cccc(N)c1 Show InChI InChI=1S/C28H28N8O/c1-28(2,3)24-16-25(36(35-24)21-8-6-7-18(29)15-21)34-27(37)33-20-13-11-19(12-14-20)32-26-22-9-4-5-10-23(22)30-17-31-26/h4-17H,29H2,1-3H3,(H,30,31,32)(H2,33,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of wild type DDR2 (unknown origin) preincubated for 30 mins before substrate addition by FRET assay				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [E49C,C296S,C310S,C344S] (Homo sapiens (Human))	BDBM50313650 (8-(4-(1-aminocyclobutyl)phenyl)-9-phenyl-[1,2,4]tr...) Show SMILES NC1(CCC1)c1ccc(cc1)-c1nc2ccn3c(n[nH]c3=O)c2cc1-c1ccccc1 Show InChI InChI=1S/C25H21N5O/c26-25(12-4-13-25)18-9-7-17(8-10-18)22-19(16-5-2-1-3-6-16)15-20-21(27-22)11-14-30-23(20)28-29-24(30)31/h1-3,5-11,14-15H,4,12-13,26H2,(H,29,31)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität Dortmund					Assay Description IC50 determinations for activated Akt1 were measured with the KinEASE assay (Cisbio) according to the manufacturer’s instructions. The kinases A...				ACS Chem Biol 10: 279-88 (2015) Article DOI: 10.1021/cb500355c BindingDB Entry DOI: 10.7270/Q218358G
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of wild type DDR2 (unknown origin) preincubated for 30 mins before substrate addition by FRET assay				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM13533 (1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of N-terminus His-tagged human p38alpha expressed in Escherichia coli BL21 DE3 using GST-tagged ATF2 as substrate after 90 mins by HTRF as...				Eur J Med Chem 48: 1-15 (2012) Article DOI: 10.1016/j.ejmech.2011.11.019 BindingDB Entry DOI: 10.7270/Q2W096CH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM14847 (1-[2-(3-Aminophenyl)-5-tert-butyl-2H-pyrazol-3-yl]...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(n1)-c1cccc(N)c1 Show InChI InChI=1S/C30H36N6O3/c1-30(2,3)27-20-28(36(34-27)22-8-6-7-21(31)19-22)33-29(37)32-25-11-12-26(24-10-5-4-9-23(24)25)39-18-15-35-13-16-38-17-14-35/h4-12,19-20H,13-18,31H2,1-3H3,(H2,32,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of wild type DDR2 (unknown origin) preincubated for 30 mins before substrate addition by FRET assay				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [E49C,C296S,C310S,C344S] (Homo sapiens (Human))	BDBM153703 (2-(4-((4-(5-Chloro-2-oxo-2,3-dihydro-1H-benzo[d]im...) Show SMILES Clc1ccc2n(C3CCN(Cc4ccc(cc4)-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C33H28ClN5O2/c34-24-10-11-30-29(18-24)37-33(41)39(30)25-13-16-38(17-14-25)20-21-6-8-23(9-7-21)31-26(22-4-2-1-3-5-22)19-27-28(36-31)12-15-35-32(27)40/h1-12,15,18-19,25H,13-14,16-17,20H2,(H,35,40)(H,37,41)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität Dortmund					Assay Description IC50 determinations for activated Akt1 were measured with the KinEASE assay (Cisbio) according to the manufacturer’s instructions. The kinases A...				ACS Chem Biol 10: 279-88 (2015) Article DOI: 10.1021/cb500355c BindingDB Entry DOI: 10.7270/Q218358G
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM13533 (1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of wild type DDR2 (unknown origin) preincubated for 30 mins before substrate addition by FRET assay				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50437152 (CHEMBL2403816) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4ccccc34)cc2)n(n1)-c1cccc(N)c1 Show InChI InChI=1S/C28H28N8O/c1-28(2,3)24-16-25(36(35-24)21-8-6-7-18(29)15-21)34-27(37)33-20-13-11-19(12-14-20)32-26-22-9-4-5-10-23(22)30-17-31-26/h4-17H,29H2,1-3H3,(H,30,31,32)(H2,33,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of DDR2 (unknown origin) after 120 mins by radiometric assay in presence of gamma-[33P]-ATP				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50362099 (CHEMBL1738943 | Thiazole-urea, 9) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1nc(CCOCc2ccncc2)cs1)C(C)(C)C Show InChI InChI=1S/C26H30N6O2S/c1-18-5-7-21(8-6-18)32-23(15-22(31-32)26(2,3)4)29-24(33)30-25-28-20(17-35-25)11-14-34-16-19-9-12-27-13-10-19/h5-10,12-13,15,17H,11,14,16H2,1-4H3,(H2,28,29,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of wild type DDR2 (unknown origin) preincubated for 30 mins before substrate addition by FRET assay				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM25115 (3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-({[4-(py...) Show SMILES NC(=O)c1c(NC(=O)NCCCCN2CCCC2)snc1OCc1c(F)cc(Br)cc1F Show InChI InChI=1S/C20H24BrF2N5O3S/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of wild type DDR2 (unknown origin) preincubated for 30 mins before substrate addition by FRET assay				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50014338 (CHEMBL3261118) Show SMILES CCC(=O)Nc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C33H40N6O4/c1-5-31(40)34-23-9-8-10-24(21-23)39-30(22-29(37-39)33(2,3)4)36-32(41)35-27-13-14-28(26-12-7-6-11-25(26)27)43-20-17-38-15-18-42-19-16-38/h6-14,21-22H,5,15-20H2,1-4H3,(H,34,40)(H2,35,36,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of wild type DDR2 (unknown origin) preincubated for 30 mins before substrate addition by FRET assay				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [E49C,C296S,C310S,C344S] (Homo sapiens (Human))	BDBM50237622 (4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4...) Show SMILES NC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C18H20ClN5/c19-14-3-1-13(2-4-14)11-18(20)6-9-24(10-7-18)17-15-5-8-21-16(15)22-12-23-17/h1-5,8,12H,6-7,9-11,20H2,(H,21,22,23)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität Dortmund					Assay Description IC50 determinations for activated Akt1 were measured with the KinEASE assay (Cisbio) according to the manufacturer’s instructions. The kinases A...				ACS Chem Biol 10: 279-88 (2015) Article DOI: 10.1021/cb500355c BindingDB Entry DOI: 10.7270/Q218358G
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [E49C,C296S,C310S,C344S] (Homo sapiens (Human))	BDBM153702 (2-(4-((4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-...) Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1 Show InChI InChI=1S/C33H29N5O2/c39-32-27-20-26(23-6-2-1-3-7-23)31(35-28(27)14-17-34-32)24-12-10-22(11-13-24)21-37-18-15-25(16-19-37)38-30-9-5-4-8-29(30)36-33(38)40/h1-14,17,20,25H,15-16,18-19,21H2,(H,34,39)(H,36,40)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität Dortmund					Assay Description IC50 determinations for activated Akt1 were measured with the KinEASE assay (Cisbio) according to the manufacturer’s instructions. The kinases A...				ACS Chem Biol 10: 279-88 (2015) Article DOI: 10.1021/cb500355c BindingDB Entry DOI: 10.7270/Q218358G
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50437152 (CHEMBL2403816) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4ccccc34)cc2)n(n1)-c1cccc(N)c1 Show InChI InChI=1S/C28H28N8O/c1-28(2,3)24-16-25(36(35-24)21-8-6-7-18(29)15-21)34-27(37)33-20-13-11-19(12-14-20)32-26-22-9-4-5-10-23(22)30-17-31-26/h4-17H,29H2,1-3H3,(H,30,31,32)(H2,33,34,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of DDR1 (unknown origin) after 120 mins by radiometric assay in presence of gamma-[33P]-ATP				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM26474 (5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino...) Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of wild type DDR2 (unknown origin) preincubated for 30 mins before substrate addition by FRET assay				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50362099 (CHEMBL1738943 | Thiazole-urea, 9) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1nc(CCOCc2ccncc2)cs1)C(C)(C)C Show InChI InChI=1S/C26H30N6O2S/c1-18-5-7-21(8-6-18)32-23(15-22(31-32)26(2,3)4)29-24(33)30-25-28-20(17-35-25)11-14-34-16-19-9-12-27-13-10-19/h5-10,12-13,15,17H,11,14,16H2,1-4H3,(H2,28,29,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of DDR2 (unknown origin) after 120 mins by radiometric assay in presence of gamma-[33P]-ATP				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50362099 (CHEMBL1738943 | Thiazole-urea, 9) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1nc(CCOCc2ccncc2)cs1)C(C)(C)C Show InChI InChI=1S/C26H30N6O2S/c1-18-5-7-21(8-6-18)32-23(15-22(31-32)26(2,3)4)29-24(33)30-25-28-20(17-35-25)11-14-34-16-19-9-12-27-13-10-19/h5-10,12-13,15,17H,11,14,16H2,1-4H3,(H2,28,29,30,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of DDR1 (unknown origin) after 120 mins by radiometric assay in presence of gamma-[33P]-ATP				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50437147 (CHEMBL2403875) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Nc3ncnc4ccccc34)c2)n(n1)-c1cccc(N)c1 Show InChI InChI=1S/C28H28N8O/c1-28(2,3)24-16-25(36(35-24)21-11-6-8-18(29)14-21)34-27(37)33-20-10-7-9-19(15-20)32-26-22-12-4-5-13-23(22)30-17-31-26/h4-17H,29H2,1-3H3,(H,30,31,32)(H2,33,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of DDR2 (unknown origin) after 120 mins by radiometric assay in presence of gamma-[33P]-ATP				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50362095 (CHEMBL1738942) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2nccs2)n(n1)-c1ccc(CC(O)=O)cc1 Show InChI InChI=1S/C19H21N5O3S/c1-19(2,3)14-11-15(21-17(27)22-18-20-8-9-28-18)24(23-14)13-6-4-12(5-7-13)10-16(25)26/h4-9,11H,10H2,1-3H3,(H,25,26)(H2,20,21,22,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of N-terminus His-tagged human p38alpha expressed in Escherichia coli BL21 DE3 using GST-tagged ATF2 as substrate after 90 mins by HTRF as...				Eur J Med Chem 48: 1-15 (2012) Article DOI: 10.1016/j.ejmech.2011.11.019 BindingDB Entry DOI: 10.7270/Q2W096CH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50303587 (1-(3-tert-butyl-1-m-tolyl-1H-pyrazol-5-yl)-3-(4-ch...) Show SMILES Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(Cl)cc1)C(C)(C)C Show InChI InChI=1S/C21H23ClN4O/c1-14-6-5-7-17(12-14)26-19(13-18(25-26)21(2,3)4)24-20(27)23-16-10-8-15(22)9-11-16/h5-13H,1-4H3,(H2,23,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	183	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of wild type DDR2 (unknown origin) preincubated for 30 mins before substrate addition by FRET assay				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50437147 (CHEMBL2403875) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Nc3ncnc4ccccc34)c2)n(n1)-c1cccc(N)c1 Show InChI InChI=1S/C28H28N8O/c1-28(2,3)24-16-25(36(35-24)21-11-6-8-18(29)14-21)34-27(37)33-20-10-7-9-19(15-20)32-26-22-12-4-5-13-23(22)30-17-31-26/h4-17H,29H2,1-3H3,(H,30,31,32)(H2,33,34,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	235	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of DDR1 (unknown origin) after 120 mins by radiometric assay in presence of gamma-[33P]-ATP				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50004205 (MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	241	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of wild type DDR2 (unknown origin) preincubated for 30 mins before substrate addition by FRET assay				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50303586 (1-(3-tert-Butyl-1-(3-nitrophenyl)-1H-pyrazol-5-yl)...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C24H23N5O3/c1-24(2,3)21-15-22(28(27-21)17-10-7-11-18(14-17)29(31)32)26-23(30)25-20-13-6-9-16-8-4-5-12-19(16)20/h4-15H,1-3H3,(H2,25,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	332	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of wild type DDR2 (unknown origin) preincubated for 30 mins before substrate addition by FRET assay				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [E49C,C296S,C310S,C344S] (Homo sapiens (Human))	BDBM153707 (3-Phenyl-2-(4-((4-(pyrimidin-2-yl)piperazin-1-yl)m...) Show SMILES O=c1[nH]ccc2nc(-c3ccc(CN4CCN(CC4)c4ncccn4)cc3)c(cc12)-c1ccccc1 Show InChI InChI=1S/C29H26N6O/c36-28-25-19-24(22-5-2-1-3-6-22)27(33-26(25)11-14-30-28)23-9-7-21(8-10-23)20-34-15-17-35(18-16-34)29-31-12-4-13-32-29/h1-14,19H,15-18,20H2,(H,30,36)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität Dortmund					Assay Description IC50 determinations for activated Akt1 were measured with the KinEASE assay (Cisbio) according to the manufacturer’s instructions. The kinases A...				ACS Chem Biol 10: 279-88 (2015) Article DOI: 10.1021/cb500355c BindingDB Entry DOI: 10.7270/Q218358G
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM14837 (3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C Show InChI InChI=1S/C25H26N4O/c1-17-12-14-19(15-13-17)29-23(16-22(28-29)25(2,3)4)27-24(30)26-21-11-7-9-18-8-5-6-10-20(18)21/h5-16H,1-4H3,(H2,26,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	408	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of wild type DDR2 (unknown origin) preincubated for 30 mins before substrate addition by FRET assay				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM31825 (1-(1-(3-Aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(N)c1 Show InChI InChI=1S/C24H25N5O/c1-24(2,3)21-15-22(29(28-21)18-11-7-10-17(25)14-18)27-23(30)26-20-13-6-9-16-8-4-5-12-19(16)20/h4-15H,25H2,1-3H3,(H2,26,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	487	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of wild type DDR2 (unknown origin) preincubated for 30 mins before substrate addition by FRET assay				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM31824 (1-(1-(3-Aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(N)c1 Show InChI InChI=1S/C20H22ClN5O/c1-20(2,3)17-12-18(26(25-17)16-6-4-5-14(22)11-16)24-19(27)23-15-9-7-13(21)8-10-15/h4-12H,22H2,1-3H3,(H2,23,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	558	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of wild type DDR2 (unknown origin) preincubated for 30 mins before substrate addition by FRET assay				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [E49C,C296S,C310S,C344S] (Homo sapiens (Human))	BDBM153705 (Methyl 1-(4-(5-oxo-3-phenyl-5,6-dihydro-1,6-naphth...) Show SMILES COC(=O)C1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1 Show InChI InChI=1S/C28H27N3O3/c1-34-28(33)22-12-15-31(16-13-22)18-19-7-9-21(10-8-19)26-23(20-5-3-2-4-6-20)17-24-25(30-26)11-14-29-27(24)32/h2-11,14,17,22H,12-13,15-16,18H2,1H3,(H,29,32)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität Dortmund					Assay Description IC50 determinations for activated Akt1 were measured with the KinEASE assay (Cisbio) according to the manufacturer’s instructions. The kinases A...				ACS Chem Biol 10: 279-88 (2015) Article DOI: 10.1021/cb500355c BindingDB Entry DOI: 10.7270/Q218358G
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50362096 (CHEMBL1940499) Show SMILES CCOC(=O)Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1nccs1)C(C)(C)C Show InChI InChI=1S/C21H25N5O3S/c1-5-29-18(27)12-14-6-8-15(9-7-14)26-17(13-16(25-26)21(2,3)4)23-19(28)24-20-22-10-11-30-20/h6-11,13H,5,12H2,1-4H3,(H2,22,23,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	639	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of N-terminus His-tagged human p38alpha expressed in Escherichia coli BL21 DE3 using GST-tagged ATF2 as substrate after 90 mins by HTRF as...				Eur J Med Chem 48: 1-15 (2012) Article DOI: 10.1016/j.ejmech.2011.11.019 BindingDB Entry DOI: 10.7270/Q2W096CH
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50303585 (1-(3-tert-butyl-1-(3-nitrophenyl)-1H-pyrazol-5-yl)...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C20H20ClN5O3/c1-20(2,3)17-12-18(23-19(27)22-14-9-7-13(21)8-10-14)25(24-17)15-5-4-6-16(11-15)26(28)29/h4-12H,1-3H3,(H2,22,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	856	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of wild type DDR2 (unknown origin) preincubated for 30 mins before substrate addition by FRET assay				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [E49C,C296S,C310S,C344S] (Homo sapiens (Human))	BDBM153704 (2-(4-((3,4-Dihydroisoquinolin-2(1H)-yl)methyl)phen...) Show SMILES O=c1[nH]ccc2nc(-c3ccc(CN4CCc5ccccc5C4)cc3)c(cc12)-c1ccccc1 Show InChI InChI=1S/C30H25N3O/c34-30-27-18-26(23-7-2-1-3-8-23)29(32-28(27)14-16-31-30)24-12-10-21(11-13-24)19-33-17-15-22-6-4-5-9-25(22)20-33/h1-14,16,18H,15,17,19-20H2,(H,31,34)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität Dortmund					Assay Description IC50 determinations for activated Akt1 were measured with the KinEASE assay (Cisbio) according to the manufacturer’s instructions. The kinases A...				ACS Chem Biol 10: 279-88 (2015) Article DOI: 10.1021/cb500355c BindingDB Entry DOI: 10.7270/Q218358G
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM92351 (Thiazole-urea, 11) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2nc(CCOCc3ccc(F)cc3)cs2)n(n1)-c1ccc(CC(O)=O)cc1 Show InChI InChI=1S/C28H30FN5O4S/c1-28(2,3)23-15-24(34(33-23)22-10-6-18(7-11-22)14-25(35)36)31-26(37)32-27-30-21(17-39-27)12-13-38-16-19-4-8-20(29)9-5-19/h4-11,15,17H,12-14,16H2,1-3H3,(H,35,36)(H2,30,31,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of wild type DDR2 (unknown origin) preincubated for 30 mins before substrate addition by FRET assay				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [E49C,C296S,C310S,C344S] (Homo sapiens (Human))	BDBM153706 (2-(4-((4-(4-Methoxyphenyl)piperazin-1-yl)methyl)ph...) Show SMILES COc1ccc(cc1)N1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1 Show InChI InChI=1S/C32H30N4O2/c1-38-27-13-11-26(12-14-27)36-19-17-35(18-20-36)22-23-7-9-25(10-8-23)31-28(24-5-3-2-4-6-24)21-29-30(34-31)15-16-33-32(29)37/h2-16,21H,17-20,22H2,1H3,(H,33,37)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität Dortmund					Assay Description IC50 determinations for activated Akt1 were measured with the KinEASE assay (Cisbio) according to the manufacturer’s instructions. The kinases A...				ACS Chem Biol 10: 279-88 (2015) Article DOI: 10.1021/cb500355c BindingDB Entry DOI: 10.7270/Q218358G
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50362104 (CHEMBL1940504) Show SMILES OC(=O)Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1nc(CCOCc2ccccc2)cs1)C1CCCC1 Show InChI InChI=1S/C29H31N5O4S/c35-27(36)16-21-9-6-12-24(15-21)34-26(17-25(33-34)22-10-4-5-11-22)31-28(37)32-29-30-23(19-39-29)13-14-38-18-20-7-2-1-3-8-20/h1-3,6-9,12,15,17,19,22H,4-5,10-11,13-14,16,18H2,(H,35,36)(H2,30,31,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of wild type DDR2 (unknown origin) preincubated for 30 mins before substrate addition by FRET assay				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [E49C,C296S,C310S,C344S] (Homo sapiens (Human))	BDBM153708 (3-Phenyl-2-(4-((4-(tetrahydrofuran-2-carbonyl)pipe...) Show SMILES O=C(C1CCCO1)N1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1 Show InChI	PDB UniProtKB/SwissProt B.MOAD 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
Technische Universität Dortmund					Assay Description IC50 determinations for activated Akt1 were measured with the KinEASE assay (Cisbio) according to the manufacturer’s instructions. The kinases A...				ACS Chem Biol 10: 279-88 (2015) Article DOI: 10.1021/cb500355c BindingDB Entry DOI: 10.7270/Q218358G
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50362105 (CHEMBL1940505) Show SMILES OC(=O)Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1nc(CCOCc2ccccc2)cs1)C1CCCC1 Show InChI InChI=1S/C29H31N5O4S/c35-27(36)16-20-10-12-24(13-11-20)34-26(17-25(33-34)22-8-4-5-9-22)31-28(37)32-29-30-23(19-39-29)14-15-38-18-21-6-2-1-3-7-21/h1-3,6-7,10-13,17,19,22H,4-5,8-9,14-16,18H2,(H,35,36)(H2,30,31,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of wild type DDR2 (unknown origin) preincubated for 30 mins before substrate addition by FRET assay				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50362102 (CHEMBL1738945) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2nc(CCOCc3ccccc3)cs2)n(n1)-c1ccc(CC(O)=O)cc1 Show InChI InChI=1S/C28H31N5O4S/c1-28(2,3)23-16-24(33(32-23)22-11-9-19(10-12-22)15-25(34)35)30-26(36)31-27-29-21(18-38-27)13-14-37-17-20-7-5-4-6-8-20/h4-12,16,18H,13-15,17H2,1-3H3,(H,34,35)(H2,29,30,31,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of wild type DDR2 (unknown origin) preincubated for 30 mins before substrate addition by FRET assay				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50362098 (CHEMBL1940500) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1nc(CCOCc2ccc(F)cc2)cs1)C(C)(C)C Show InChI InChI=1S/C27H30FN5O2S/c1-18-5-11-22(12-6-18)33-24(15-23(32-33)27(2,3)4)30-25(34)31-26-29-21(17-36-26)13-14-35-16-19-7-9-20(28)10-8-19/h5-12,15,17H,13-14,16H2,1-4H3,(H2,29,30,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of wild type DDR2 (unknown origin) preincubated for 30 mins before substrate addition by FRET assay				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50362100 (CHEMBL1940501) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1nc(CCOCc2cccnc2)cs1)C(C)(C)C Show InChI InChI=1S/C26H30N6O2S/c1-18-7-9-21(10-8-18)32-23(14-22(31-32)26(2,3)4)29-24(33)30-25-28-20(17-35-25)11-13-34-16-19-6-5-12-27-15-19/h5-10,12,14-15,17H,11,13,16H2,1-4H3,(H2,28,29,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of N-terminus His-tagged human p38alpha expressed in Escherichia coli BL21 DE3 using GST-tagged ATF2 as substrate after 90 mins by HTRF as...				Eur J Med Chem 48: 1-15 (2012) Article DOI: 10.1016/j.ejmech.2011.11.019 BindingDB Entry DOI: 10.7270/Q2W096CH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50362094 (CHEMBL1738946) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1nccs1)C(C)(C)C Show InChI InChI=1S/C18H21N5OS/c1-12-5-7-13(8-6-12)23-15(11-14(22-23)18(2,3)4)20-16(24)21-17-19-9-10-25-17/h5-11H,1-4H3,(H2,19,20,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of wild type DDR2 (unknown origin) preincubated for 30 mins before substrate addition by FRET assay				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50362096 (CHEMBL1940499) Show SMILES CCOC(=O)Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1nccs1)C(C)(C)C Show InChI InChI=1S/C21H25N5O3S/c1-5-29-18(27)12-14-6-8-15(9-7-14)26-17(13-16(25-26)21(2,3)4)23-19(28)24-20-22-10-11-30-20/h6-11,13H,5,12H2,1-4H3,(H2,22,23,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of p38alpha-mediated MK2 phosphorylation in anisomysin-stimulated human HeLa cells after 2 hrs by immunoblot analysis				Eur J Med Chem 48: 1-15 (2012) Article DOI: 10.1016/j.ejmech.2011.11.019 BindingDB Entry DOI: 10.7270/Q2W096CH
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50362095 (CHEMBL1738942) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2nccs2)n(n1)-c1ccc(CC(O)=O)cc1 Show InChI InChI=1S/C19H21N5O3S/c1-19(2,3)14-11-15(21-17(27)22-18-20-8-9-28-18)24(23-14)13-6-4-12(5-7-13)10-16(25)26/h4-9,11H,10H2,1-3H3,(H,25,26)(H2,20,21,22,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	9.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of wild type DDR2 (unknown origin) preincubated for 30 mins before substrate addition by FRET assay				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50115216 (1-(1-(3-Aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(N)c1 Show InChI InChI=1S/C20H23N5O/c1-20(2,3)17-13-18(23-19(26)22-15-9-5-4-6-10-15)25(24-17)16-11-7-8-14(21)12-16/h4-13H,21H2,1-3H3,(H2,22,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of wild type DDR2 (unknown origin) preincubated for 30 mins before substrate addition by FRET assay				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50362103 (CHEMBL1940503 | Thiazole-urea, 10) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2nc(CCOCc3ccccc3)cs2)n(n1)-c1cccc(CC(O)=O)c1 Show InChI InChI=1S/C28H31N5O4S/c1-28(2,3)23-16-24(33(32-23)22-11-7-10-20(14-22)15-25(34)35)30-26(36)31-27-29-21(18-38-27)12-13-37-17-19-8-5-4-6-9-19/h4-11,14,16,18H,12-13,15,17H2,1-3H3,(H,34,35)(H2,29,30,31,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of wild type DDR2 (unknown origin) preincubated for 30 mins before substrate addition by FRET assay				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50014342 (CHEMBL3261119) Show SMILES Fc1cc(cc(c1)C(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)N1CCOCC1 Show InChI InChI=1S/C27H30FN3O4/c28-21-17-20(18-22(19-21)31-10-14-34-15-11-31)27(32)29-25-5-6-26(24-4-2-1-3-23(24)25)35-16-9-30-7-12-33-13-8-30/h1-6,17-19H,7-16H2,(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of wild type DDR2 (unknown origin) preincubated for 30 mins before substrate addition by FRET assay				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50014336 (CHEMBL3261117) Show SMILES CCOCCNc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C34H44N6O4/c1-5-42-19-15-35-25-9-8-10-26(23-25)40-32(24-31(38-40)34(2,3)4)37-33(41)36-29-13-14-30(28-12-7-6-11-27(28)29)44-22-18-39-16-20-43-21-17-39/h6-14,23-24,35H,5,15-22H2,1-4H3,(H2,36,37,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technical University of Dortmund Curated by ChEMBL					Assay Description Inhibition of wild type DDR2 (unknown origin) preincubated for 30 mins before substrate addition by FRET assay				J Med Chem 57: 4252-62 (2014) Article DOI: 10.1021/jm500167q BindingDB Entry DOI: 10.7270/Q2Z039P4
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 125 total )  |  Next  |  Last  >>

Jump to: