Compile Data Set for Download or QSAR

Found 2434 hits with Last Name = 'seidel' and Initial = 'h'   

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
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM374968 (US10251893, Cpd 166) Show SMILES COC(=O)N1CCN(CC1)c1ccc(NC(=O)Cc2cnc(c(C)c2)-c2ccnc(C)c2)nc1 Show InChI InChI=1S/C25H28N6O3/c1-17-12-19(15-28-24(17)20-6-7-26-18(2)13-20)14-23(32)29-22-5-4-21(16-27-22)30-8-10-31(11-9-30)25(33)34-3/h4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,27,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of PORCN in mouse Leydig cells overexpressing Wnt3A co-cultured with TM3 cells transfected with Wnt-luciferase gene after 24 hrs by lumine...				ACS Med Chem Lett 7: 676-80 (2016) Article DOI: 10.1021/acsmedchemlett.6b00038 BindingDB Entry DOI: 10.7270/Q2FB56F9
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM374968 (US10251893, Cpd 166) Show SMILES COC(=O)N1CCN(CC1)c1ccc(NC(=O)Cc2cnc(c(C)c2)-c2ccnc(C)c2)nc1 Show InChI InChI=1S/C25H28N6O3/c1-17-12-19(15-28-24(17)20-6-7-26-18(2)13-20)14-23(32)29-22-5-4-21(16-27-22)30-8-10-31(11-9-30)25(33)34-3/h4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,27,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of PORCN in mouse Leydig cells overexpressing Wnt3A co-cultured with TM3 cells transfected with Wnt-luciferase gene after 24 hrs by lumine...				ACS Med Chem Lett 7: 676-80 (2016) Article DOI: 10.1021/acsmedchemlett.6b00038 BindingDB Entry DOI: 10.7270/Q2FB56F9
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50436850 (CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...) Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of ALK (unknown origin) after 60 mins				J Med Chem 56: 5675-90 (2014) Article DOI: 10.1021/jm400402q BindingDB Entry DOI: 10.7270/Q2G1627J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM374846 (US10251893, Cpd 50) Show SMILES Cc1cc(ccn1)-c1ccc(CC(=O)Nc2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C26H22N2O/c1-19-17-24(15-16-27-19)23-9-7-20(8-10-23)18-26(29)28-25-13-11-22(12-14-25)21-5-3-2-4-6-21/h2-17H,18H2,1H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of PORCN in mouse Leydig cells overexpressing Wnt3A co-cultured with TM3 cells transfected with Wnt-luciferase gene after 24 hrs by lumine...				ACS Med Chem Lett 7: 676-80 (2016) Article DOI: 10.1021/acsmedchemlett.6b00038 BindingDB Entry DOI: 10.7270/Q2FB56F9
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM374846 (US10251893, Cpd 50) Show SMILES Cc1cc(ccn1)-c1ccc(CC(=O)Nc2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C26H22N2O/c1-19-17-24(15-16-27-19)23-9-7-20(8-10-23)18-26(29)28-25-13-11-22(12-14-25)21-5-3-2-4-6-21/h2-17H,18H2,1H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of PORCN in mouse Leydig cells overexpressing Wnt3A co-cultured with TM3 cells transfected with Wnt-luciferase gene after 24 hrs by lumine...				ACS Med Chem Lett 7: 676-80 (2016) Article DOI: 10.1021/acsmedchemlett.6b00038 BindingDB Entry DOI: 10.7270/Q2FB56F9
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM375004 (2-(2'-fluoro-3-methyl-2,4'-bipyridin-5-yl)-N-(5-(p...) Show SMILES Cc1cc(CC(=O)Nc2ccc(cn2)-c2cnccn2)cnc1-c1ccnc(F)c1 Show InChI InChI=1S/C22H17FN6O/c1-14-8-15(11-28-22(14)16-4-5-26-19(23)10-16)9-21(30)29-20-3-2-17(12-27-20)18-13-24-6-7-25-18/h2-8,10-13H,9H2,1H3,(H,27,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of PORCN in mouse Leydig cells overexpressing Wnt3A co-cultured with TM3 cells transfected with Wnt-luciferase gene after 24 hrs by lumine...				ACS Med Chem Lett 7: 676-80 (2016) Article DOI: 10.1021/acsmedchemlett.6b00038 BindingDB Entry DOI: 10.7270/Q2FB56F9
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM374847 (US10251893, Cpd 51) Show SMILES Cc1cc(ccn1)-c1ccc(CC(=O)Nc2ccc(cn2)-c2ccccc2)cn1 Show InChI InChI=1S/C24H20N4O/c1-17-13-20(11-12-25-17)22-9-7-18(15-26-22)14-24(29)28-23-10-8-21(16-27-23)19-5-3-2-4-6-19/h2-13,15-16H,14H2,1H3,(H,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of PORCN in mouse Leydig cells overexpressing Wnt3A co-cultured with TM3 cells transfected with Wnt-luciferase gene after 24 hrs by lumine...				ACS Med Chem Lett 7: 676-80 (2016) Article DOI: 10.1021/acsmedchemlett.6b00038 BindingDB Entry DOI: 10.7270/Q2FB56F9
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM374847 (US10251893, Cpd 51) Show SMILES Cc1cc(ccn1)-c1ccc(CC(=O)Nc2ccc(cn2)-c2ccccc2)cn1 Show InChI InChI=1S/C24H20N4O/c1-17-13-20(11-12-25-17)22-9-7-18(15-26-22)14-24(29)28-23-10-8-21(16-27-23)19-5-3-2-4-6-19/h2-13,15-16H,14H2,1H3,(H,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of PORCN in mouse Leydig cells overexpressing Wnt3A co-cultured with TM3 cells transfected with Wnt-luciferase gene after 24 hrs by lumine...				ACS Med Chem Lett 7: 676-80 (2016) Article DOI: 10.1021/acsmedchemlett.6b00038 BindingDB Entry DOI: 10.7270/Q2FB56F9
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM375004 (2-(2'-fluoro-3-methyl-2,4'-bipyridin-5-yl)-N-(5-(p...) Show SMILES Cc1cc(CC(=O)Nc2ccc(cn2)-c2cnccn2)cnc1-c1ccnc(F)c1 Show InChI InChI=1S/C22H17FN6O/c1-14-8-15(11-28-22(14)16-4-5-26-19(23)10-16)9-21(30)29-20-3-2-17(12-27-20)18-13-24-6-7-25-18/h2-8,10-13H,9H2,1H3,(H,27,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of PORCN in mouse Leydig cells overexpressing Wnt3A co-cultured with TM3 cells transfected with Wnt-luciferase gene after 24 hrs by lumine...				ACS Med Chem Lett 7: 676-80 (2016) Article DOI: 10.1021/acsmedchemlett.6b00038 BindingDB Entry DOI: 10.7270/Q2FB56F9
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM50133870 (CHEBI:78030 | CHEMBL3188386 | US10251893, Compound...) Show SMILES Cc1cc(ccn1)-c1ncc(CC(=O)Nc2ccc(cn2)-c2cnccn2)cc1C Show InChI InChI=1S/C23H20N6O/c1-15-9-17(12-28-23(15)18-5-6-25-16(2)10-18)11-22(30)29-21-4-3-19(13-27-21)20-14-24-7-8-26-20/h3-10,12-14H,11H2,1-2H3,(H,27,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of PORCN in mouse Leydig cells overexpressing Wnt3A co-cultured with TM3 cells transfected with Wnt-luciferase gene after 24 hrs by lumine...				ACS Med Chem Lett 7: 676-80 (2016) Article DOI: 10.1021/acsmedchemlett.6b00038 BindingDB Entry DOI: 10.7270/Q2FB56F9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM374920 (US10251893, Cpd 128) Show SMILES Cc1cc(ccn1)-c1ccc(CC(=O)Nc2ccc(cn2)-c2cnccn2)cn1 Show InChI InChI=1S/C22H18N6O/c1-15-10-17(6-7-24-15)19-4-2-16(12-26-19)11-22(29)28-21-5-3-18(13-27-21)20-14-23-8-9-25-20/h2-10,12-14H,11H2,1H3,(H,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of PORCN in mouse Leydig cells overexpressing Wnt3A co-cultured with TM3 cells transfected with Wnt-luciferase gene after 24 hrs by lumine...				ACS Med Chem Lett 7: 676-80 (2016) Article DOI: 10.1021/acsmedchemlett.6b00038 BindingDB Entry DOI: 10.7270/Q2FB56F9
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM374916 (N-(2,3'-bipyridin-6'-yl)-2-(2',3-dimethyl-2,4'-bip...) Show SMILES Cc1cc(ccn1)-c1ncc(CC(=O)Nc2ccc(cn2)-c2ccccn2)cc1C Show InChI InChI=1S/C24H21N5O/c1-16-11-18(14-28-24(16)19-8-10-25-17(2)12-19)13-23(30)29-22-7-6-20(15-27-22)21-5-3-4-9-26-21/h3-12,14-15H,13H2,1-2H3,(H,27,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of PORCN in mouse Leydig cells overexpressing Wnt3A co-cultured with TM3 cells transfected with Wnt-luciferase gene after 24 hrs by lumine...				ACS Med Chem Lett 7: 676-80 (2016) Article DOI: 10.1021/acsmedchemlett.6b00038 BindingDB Entry DOI: 10.7270/Q2FB56F9
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM50133870 (CHEBI:78030 | CHEMBL3188386 | US10251893, Compound...) Show SMILES Cc1cc(ccn1)-c1ncc(CC(=O)Nc2ccc(cn2)-c2cnccn2)cc1C Show InChI InChI=1S/C23H20N6O/c1-15-9-17(12-28-23(15)18-5-6-25-16(2)10-18)11-22(30)29-21-4-3-19(13-27-21)20-14-24-7-8-26-20/h3-10,12-14H,11H2,1-2H3,(H,27,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of PORCN in mouse Leydig cells overexpressing Wnt3A co-cultured with TM3 cells transfected with Wnt-luciferase gene after 24 hrs by lumine...				ACS Med Chem Lett 7: 676-80 (2016) Article DOI: 10.1021/acsmedchemlett.6b00038 BindingDB Entry DOI: 10.7270/Q2FB56F9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM374916 (N-(2,3'-bipyridin-6'-yl)-2-(2',3-dimethyl-2,4'-bip...) Show SMILES Cc1cc(ccn1)-c1ncc(CC(=O)Nc2ccc(cn2)-c2ccccn2)cc1C Show InChI InChI=1S/C24H21N5O/c1-16-11-18(14-28-24(16)19-8-10-25-17(2)12-19)13-23(30)29-22-7-6-20(15-27-22)21-5-3-4-9-26-21/h3-12,14-15H,13H2,1-2H3,(H,27,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of PORCN in mouse Leydig cells overexpressing Wnt3A co-cultured with TM3 cells transfected with Wnt-luciferase gene after 24 hrs by lumine...				ACS Med Chem Lett 7: 676-80 (2016) Article DOI: 10.1021/acsmedchemlett.6b00038 BindingDB Entry DOI: 10.7270/Q2FB56F9
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM374920 (US10251893, Cpd 128) Show SMILES Cc1cc(ccn1)-c1ccc(CC(=O)Nc2ccc(cn2)-c2cnccn2)cn1 Show InChI InChI=1S/C22H18N6O/c1-15-10-17(6-7-24-15)19-4-2-16(12-26-19)11-22(29)28-21-5-3-18(13-27-21)20-14-23-8-9-25-20/h2-10,12-14H,11H2,1H3,(H,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of PORCN in mouse Leydig cells overexpressing Wnt3A co-cultured with TM3 cells transfected with Wnt-luciferase gene after 24 hrs by lumine...				ACS Med Chem Lett 7: 676-80 (2016) Article DOI: 10.1021/acsmedchemlett.6b00038 BindingDB Entry DOI: 10.7270/Q2FB56F9
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM374802 (US10251893, Cpd 6) Show SMILES COc1ccc2nc(NC(=O)Cc3ccc(cc3)-c3ccnc(C)c3)sc2c1 Show InChI InChI=1S/C22H19N3O2S/c1-14-11-17(9-10-23-14)16-5-3-15(4-6-16)12-21(26)25-22-24-19-8-7-18(27-2)13-20(19)28-22/h3-11,13H,12H2,1-2H3,(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of PORCN in mouse Leydig cells overexpressing Wnt3A co-cultured with TM3 cells transfected with Wnt-luciferase gene after 24 hrs by lumine...				ACS Med Chem Lett 7: 676-80 (2016) Article DOI: 10.1021/acsmedchemlett.6b00038 BindingDB Entry DOI: 10.7270/Q2FB56F9
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM374802 (US10251893, Cpd 6) Show SMILES COc1ccc2nc(NC(=O)Cc3ccc(cc3)-c3ccnc(C)c3)sc2c1 Show InChI InChI=1S/C22H19N3O2S/c1-14-11-17(9-10-23-14)16-5-3-15(4-6-16)12-21(26)25-22-24-19-8-7-18(27-2)13-20(19)28-22/h3-11,13H,12H2,1-2H3,(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of PORCN in mouse Leydig cells overexpressing Wnt3A co-cultured with TM3 cells transfected with Wnt-luciferase gene after 24 hrs by lumine...				ACS Med Chem Lett 7: 676-80 (2016) Article DOI: 10.1021/acsmedchemlett.6b00038 BindingDB Entry DOI: 10.7270/Q2FB56F9
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM374918 (US10251893, Cpd 126) Show SMILES Cc1cc(ccn1)-c1ccc(CC(=O)Nc2ccc(cn2)-c2ccccn2)cn1 Show InChI InChI=1S/C23H19N5O/c1-16-12-18(9-11-24-16)21-7-5-17(14-26-21)13-23(29)28-22-8-6-19(15-27-22)20-4-2-3-10-25-20/h2-12,14-15H,13H2,1H3,(H,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of PORCN in mouse Leydig cells overexpressing Wnt3A co-cultured with TM3 cells transfected with Wnt-luciferase gene after 24 hrs by lumine...				ACS Med Chem Lett 7: 676-80 (2016) Article DOI: 10.1021/acsmedchemlett.6b00038 BindingDB Entry DOI: 10.7270/Q2FB56F9
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM374918 (US10251893, Cpd 126) Show SMILES Cc1cc(ccn1)-c1ccc(CC(=O)Nc2ccc(cn2)-c2ccccn2)cn1 Show InChI InChI=1S/C23H19N5O/c1-16-12-18(9-11-24-16)21-7-5-17(14-26-21)13-23(29)28-22-8-6-19(15-27-22)20-4-2-3-10-25-20/h2-12,14-15H,13H2,1H3,(H,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of PORCN in mouse Leydig cells overexpressing Wnt3A co-cultured with TM3 cells transfected with Wnt-luciferase gene after 24 hrs by lumine...				ACS Med Chem Lett 7: 676-80 (2016) Article DOI: 10.1021/acsmedchemlett.6b00038 BindingDB Entry DOI: 10.7270/Q2FB56F9
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM374948 (N-(5-(4-acetylpiperazin-1-yl)pyridin-2-yl)-2-(2',3...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(NC(=O)Cc2cnc(c(C)c2)-c2ccnc(C)c2)nc1 Show InChI InChI=1S/C25H28N6O2/c1-17-12-20(15-28-25(17)21-6-7-26-18(2)13-21)14-24(33)29-23-5-4-22(16-27-23)31-10-8-30(9-11-31)19(3)32/h4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,27,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of PORCN in mouse Leydig cells overexpressing Wnt3A co-cultured with TM3 cells transfected with Wnt-luciferase gene after 24 hrs by lumine...				ACS Med Chem Lett 7: 676-80 (2016) Article DOI: 10.1021/acsmedchemlett.6b00038 BindingDB Entry DOI: 10.7270/Q2FB56F9
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM374822 (2-(4-(2-methylpyridin-4-yl)phenyl)-N-(5-phenylpyri...) Show SMILES Cc1cc(ccn1)-c1ccc(CC(=O)Nc2ccc(cn2)-c2ccccc2)cc1 Show InChI InChI=1S/C25H21N3O/c1-18-15-22(13-14-26-18)21-9-7-19(8-10-21)16-25(29)28-24-12-11-23(17-27-24)20-5-3-2-4-6-20/h2-15,17H,16H2,1H3,(H,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of PORCN in mouse Leydig cells overexpressing Wnt3A co-cultured with TM3 cells transfected with Wnt-luciferase gene after 24 hrs by lumine...				ACS Med Chem Lett 7: 676-80 (2016) Article DOI: 10.1021/acsmedchemlett.6b00038 BindingDB Entry DOI: 10.7270/Q2FB56F9
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM374822 (2-(4-(2-methylpyridin-4-yl)phenyl)-N-(5-phenylpyri...) Show SMILES Cc1cc(ccn1)-c1ccc(CC(=O)Nc2ccc(cn2)-c2ccccc2)cc1 Show InChI InChI=1S/C25H21N3O/c1-18-15-22(13-14-26-18)21-9-7-19(8-10-21)16-25(29)28-24-12-11-23(17-27-24)20-5-3-2-4-6-20/h2-15,17H,16H2,1H3,(H,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of PORCN in mouse Leydig cells overexpressing Wnt3A co-cultured with TM3 cells transfected with Wnt-luciferase gene after 24 hrs by lumine...				ACS Med Chem Lett 7: 676-80 (2016) Article DOI: 10.1021/acsmedchemlett.6b00038 BindingDB Entry DOI: 10.7270/Q2FB56F9
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM374948 (N-(5-(4-acetylpiperazin-1-yl)pyridin-2-yl)-2-(2',3...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(NC(=O)Cc2cnc(c(C)c2)-c2ccnc(C)c2)nc1 Show InChI InChI=1S/C25H28N6O2/c1-17-12-20(15-28-25(17)21-6-7-26-18(2)13-21)14-24(33)29-23-5-4-22(16-27-23)31-10-8-30(9-11-31)19(3)32/h4-7,12-13,15-16H,8-11,14H2,1-3H3,(H,27,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of PORCN in mouse Leydig cells overexpressing Wnt3A co-cultured with TM3 cells transfected with Wnt-luciferase gene after 24 hrs by lumine...				ACS Med Chem Lett 7: 676-80 (2016) Article DOI: 10.1021/acsmedchemlett.6b00038 BindingDB Entry DOI: 10.7270/Q2FB56F9
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM374998 (N-(5-(4-acetylpiperazin-1-yl)pyridin-2-yl)-2-(2'-f...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(NC(=O)Cc2cnc(c(C)c2)-c2ccnc(F)c2)nc1 Show InChI InChI=1S/C24H25FN6O2/c1-16-11-18(14-28-24(16)19-5-6-26-21(25)13-19)12-23(33)29-22-4-3-20(15-27-22)31-9-7-30(8-10-31)17(2)32/h3-6,11,13-15H,7-10,12H2,1-2H3,(H,27,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of PORCN in mouse Leydig cells overexpressing Wnt3A co-cultured with TM3 cells transfected with Wnt-luciferase gene after 24 hrs by lumine...				ACS Med Chem Lett 7: 676-80 (2016) Article DOI: 10.1021/acsmedchemlett.6b00038 BindingDB Entry DOI: 10.7270/Q2FB56F9
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM374998 (N-(5-(4-acetylpiperazin-1-yl)pyridin-2-yl)-2-(2'-f...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(NC(=O)Cc2cnc(c(C)c2)-c2ccnc(F)c2)nc1 Show InChI InChI=1S/C24H25FN6O2/c1-16-11-18(14-28-24(16)19-5-6-26-21(25)13-19)12-23(33)29-22-4-3-20(15-27-22)31-9-7-30(8-10-31)17(2)32/h3-6,11,13-15H,7-10,12H2,1-2H3,(H,27,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of PORCN in mouse Leydig cells overexpressing Wnt3A co-cultured with TM3 cells transfected with Wnt-luciferase gene after 24 hrs by lumine...				ACS Med Chem Lett 7: 676-80 (2016) Article DOI: 10.1021/acsmedchemlett.6b00038 BindingDB Entry DOI: 10.7270/Q2FB56F9
					More data for this Ligand-Target Pair
NT-3 growth factor receptor (Homo sapiens (Human))	BDBM50092079 (CHEMBL3582439) Show SMILES Fc1cccc(c1)[C@H]1CCCN1c1ccc2ncc(-c3ccccn3)n2n1 |r| Show InChI InChI=1S/C21H18FN5/c22-16-6-3-5-15(13-16)18-8-4-12-26(18)21-10-9-20-24-14-19(27(20)25-21)17-7-1-2-11-23-17/h1-3,5-7,9-11,13-14,18H,4,8,12H2/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...				ACS Med Chem Lett 6: 562-7 (2015) Article DOI: 10.1021/acsmedchemlett.5b00050 BindingDB Entry DOI: 10.7270/Q2TM7CW4
					More data for this Ligand-Target Pair
NT-3 growth factor receptor (Homo sapiens (Human))	BDBM50092082 (CHEMBL3582441) Show SMILES OC(=O)CN1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r| Show InChI InChI=1S/C27H28FN7O2/c28-21-4-1-3-19(15-21)22-5-2-10-34(22)25-7-6-24-30-17-23(35(24)31-25)20-8-9-29-26(16-20)33-13-11-32(12-14-33)18-27(36)37/h1,3-4,6-9,15-17,22H,2,5,10-14,18H2,(H,36,37)/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...				ACS Med Chem Lett 6: 562-7 (2015) Article DOI: 10.1021/acsmedchemlett.5b00050 BindingDB Entry DOI: 10.7270/Q2TM7CW4
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50092082 (CHEMBL3582441) Show SMILES OC(=O)CN1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r| Show InChI InChI=1S/C27H28FN7O2/c28-21-4-1-3-19(15-21)22-5-2-10-34(22)25-7-6-24-30-17-23(35(24)31-25)20-8-9-29-26(16-20)33-13-11-32(12-14-33)18-27(36)37/h1,3-4,6-9,15-17,22H,2,5,10-14,18H2,(H,36,37)/t22-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of TPM3-fused TRKA (unknown origin) expressed in human KM12 cells assessed as inhibition of cell proliferation after 48 hrs by luciferase ...				ACS Med Chem Lett 6: 562-7 (2015) Article DOI: 10.1021/acsmedchemlett.5b00050 BindingDB Entry DOI: 10.7270/Q2TM7CW4
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1317 (3-[[(4,7-Dichlorobenzoxazol-2-yl)-methyl]amino]-5-...) Show SMILES CCc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C Show InChI InChI=1S/C16H15Cl2N3O2/c1-3-9-6-12(16(22)20-8(9)2)19-7-13-21-14-10(17)4-5-11(18)15(14)23-13/h4-6,19H,3,7H2,1-2H3,(H,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Mannheim GmbH					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 36: 2526-35 (1993) Article DOI: 10.1021/jm00069a011 BindingDB Entry DOI: 10.7270/Q2BR8QCZ
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50092082 (CHEMBL3582441) Show SMILES OC(=O)CN1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r| Show InChI InChI=1S/C27H28FN7O2/c28-21-4-1-3-19(15-21)22-5-2-10-34(22)25-7-6-24-30-17-23(35(24)31-25)20-8-9-29-26(16-20)33-13-11-32(12-14-33)18-27(36)37/h1,3-4,6-9,15-17,22H,2,5,10-14,18H2,(H,36,37)/t22-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of Tel-fused TRKA (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...				ACS Med Chem Lett 6: 562-7 (2015) Article DOI: 10.1021/acsmedchemlett.5b00050 BindingDB Entry DOI: 10.7270/Q2TM7CW4
					More data for this Ligand-Target Pair
BDNF/NT-3 growth factors receptor (Homo sapiens (Human))	BDBM50092082 (CHEMBL3582441) Show SMILES OC(=O)CN1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r| Show InChI InChI=1S/C27H28FN7O2/c28-21-4-1-3-19(15-21)22-5-2-10-34(22)25-7-6-24-30-17-23(35(24)31-25)20-8-9-29-26(16-20)33-13-11-32(12-14-33)18-27(36)37/h1,3-4,6-9,15-17,22H,2,5,10-14,18H2,(H,36,37)/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of Tel-fused TRKB (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...				ACS Med Chem Lett 6: 562-7 (2015) Article DOI: 10.1021/acsmedchemlett.5b00050 BindingDB Entry DOI: 10.7270/Q2TM7CW4
					More data for this Ligand-Target Pair
BDNF/NT-3 growth factors receptor (Homo sapiens (Human))	BDBM50092079 (CHEMBL3582439) Show SMILES Fc1cccc(c1)[C@H]1CCCN1c1ccc2ncc(-c3ccccn3)n2n1 |r| Show InChI InChI=1S/C21H18FN5/c22-16-6-3-5-15(13-16)18-8-4-12-26(18)21-10-9-20-24-14-19(27(20)25-21)17-7-1-2-11-23-17/h1-3,5-7,9-11,13-14,18H,4,8,12H2/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of Tel-fused TRKB (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...				ACS Med Chem Lett 6: 562-7 (2015) Article DOI: 10.1021/acsmedchemlett.5b00050 BindingDB Entry DOI: 10.7270/Q2TM7CW4
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50092082 (CHEMBL3582441) Show SMILES OC(=O)CN1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r| Show InChI InChI=1S/C27H28FN7O2/c28-21-4-1-3-19(15-21)22-5-2-10-34(22)25-7-6-24-30-17-23(35(24)31-25)20-8-9-29-26(16-20)33-13-11-32(12-14-33)18-27(36)37/h1,3-4,6-9,15-17,22H,2,5,10-14,18H2,(H,36,37)/t22-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of NGF-activated full length TRKA (unknown origin) expressed in mouse BA/F3 cells assessed as inhibition of cell proliferation				ACS Med Chem Lett 6: 562-7 (2015) Article DOI: 10.1021/acsmedchemlett.5b00050 BindingDB Entry DOI: 10.7270/Q2TM7CW4
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Mus musculus (mouse))	BDBM50384726 (CHEMBL2037208) Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1 Show InChI InChI=1S/C27H19F3N4O2/c28-27(29,30)17-5-1-4-16(12-17)25(35)33-20-7-2-6-19(13-20)32-21-9-10-22-23(14-18-8-3-11-31-18)26(36)34-24(22)15-21/h1-15,31-32H,(H,33,35)(H,34,36)/b23-14-	KEGG UniProtKB/SwissProt 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
TBA Curated by ChEMBL					Assay Description Inhibition of Tel-fused PDGFRbeta in mouse BA/F3 cells				ACS Med Chem Lett 3: 140-145 (2012) Article DOI: 10.1021/ml200261d BindingDB Entry DOI: 10.7270/Q2SJ1MNM
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM374798 (N-(6-methoxybenzo [d]thiazol-2-yl)-2-(4-(pyridin-4...) Show SMILES COc1ccc2nc(NC(=O)Cc3ccc(cc3)-c3ccncc3)sc2c1 Show InChI InChI=1S/C21H17N3O2S/c1-26-17-6-7-18-19(13-17)27-21(23-18)24-20(25)12-14-2-4-15(5-3-14)16-8-10-22-11-9-16/h2-11,13H,12H2,1H3,(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of PORCN in mouse Leydig cells overexpressing Wnt3A co-cultured with TM3 cells transfected with Wnt-luciferase gene after 24 hrs by lumine...				ACS Med Chem Lett 7: 676-80 (2016) Article DOI: 10.1021/acsmedchemlett.6b00038 BindingDB Entry DOI: 10.7270/Q2FB56F9
					More data for this Ligand-Target Pair
NT-3 growth factor receptor (Homo sapiens (Human))	BDBM50092081 (CHEMBL3582442) Show SMILES OC1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r| Show InChI InChI=1S/C26H27FN6O/c27-20-4-1-3-18(15-20)22-5-2-12-32(22)25-7-6-24-29-17-23(33(24)30-25)19-8-11-28-26(16-19)31-13-9-21(34)10-14-31/h1,3-4,6-8,11,15-17,21-22,34H,2,5,9-10,12-14H2/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...				ACS Med Chem Lett 6: 562-7 (2015) Article DOI: 10.1021/acsmedchemlett.5b00050 BindingDB Entry DOI: 10.7270/Q2TM7CW4
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Mus musculus)	BDBM374798 (N-(6-methoxybenzo [d]thiazol-2-yl)-2-(4-(pyridin-4...) Show SMILES COc1ccc2nc(NC(=O)Cc3ccc(cc3)-c3ccncc3)sc2c1 Show InChI InChI=1S/C21H17N3O2S/c1-26-17-6-7-18-19(13-17)27-21(23-18)24-20(25)12-14-2-4-15(5-3-14)16-8-10-22-11-9-16/h2-11,13H,12H2,1H3,(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of PORCN in mouse Leydig cells overexpressing Wnt3A co-cultured with TM3 cells transfected with Wnt-luciferase gene after 24 hrs by lumine...				ACS Med Chem Lett 7: 676-80 (2016) Article DOI: 10.1021/acsmedchemlett.6b00038 BindingDB Entry DOI: 10.7270/Q2FB56F9
					More data for this Ligand-Target Pair
NT-3 growth factor receptor (Homo sapiens (Human))	BDBM50092132 (CHEMBL3582440) Show SMILES OC1CCN(CC1)c1cccc(n1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r| Show InChI InChI=1S/C26H27FN6O/c27-19-5-1-4-18(16-19)22-7-3-13-32(22)26-10-9-24-28-17-23(33(24)30-26)21-6-2-8-25(29-21)31-14-11-20(34)12-15-31/h1-2,4-6,8-10,16-17,20,22,34H,3,7,11-15H2/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...				ACS Med Chem Lett 6: 562-7 (2015) Article DOI: 10.1021/acsmedchemlett.5b00050 BindingDB Entry DOI: 10.7270/Q2TM7CW4
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50436850 (CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...) Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of EML4-fused ALK (unknown origin) by cell-based assay				J Med Chem 56: 5675-90 (2014) Article DOI: 10.1021/jm400402q BindingDB Entry DOI: 10.7270/Q2G1627J
					More data for this Ligand-Target Pair				3D Structure (crystal)
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50384732 (CHEMBL2037213) Show SMILES OC1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1 Show InChI InChI=1S/C32H28F3N5O3/c33-32(34,35)20-13-19(14-25(15-20)40-11-8-26(41)9-12-40)30(42)38-23-4-1-3-22(16-23)37-24-6-7-27-28(17-21-5-2-10-36-21)31(43)39-29(27)18-24/h1-7,10,13-18,26,36-37,41H,8-9,11-12H2,(H,38,42)(H,39,43)/b28-17-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of TRKA by HTRF assay				ACS Med Chem Lett 3: 140-145 (2012) Article DOI: 10.1021/ml200261d BindingDB Entry DOI: 10.7270/Q2SJ1MNM
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50092081 (CHEMBL3582442) Show SMILES OC1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r| Show InChI InChI=1S/C26H27FN6O/c27-20-4-1-3-18(15-20)22-5-2-12-32(22)25-7-6-24-29-17-23(33(24)30-25)19-8-11-28-26(16-19)31-13-9-21(34)10-14-31/h1,3-4,6-8,11,15-17,21-22,34H,2,5,9-10,12-14H2/t22-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of NGF-activated full length TRKA (unknown origin) expressed in mouse BA/F3 cells assessed as inhibition of cell proliferation				ACS Med Chem Lett 6: 562-7 (2015) Article DOI: 10.1021/acsmedchemlett.5b00050 BindingDB Entry DOI: 10.7270/Q2TM7CW4
					More data for this Ligand-Target Pair
NT-3 growth factor receptor (Homo sapiens (Human))	BDBM50092085 (CHEMBL3582438) Show SMILES Fc1cccc(c1)[C@H]1CCCN1c1ccc2ncc(-c3ccc(cc3)C#N)n2n1 |r| Show InChI InChI=1S/C23H18FN5/c24-19-4-1-3-18(13-19)20-5-2-12-28(20)23-11-10-22-26-15-21(29(22)27-23)17-8-6-16(14-25)7-9-17/h1,3-4,6-11,13,15,20H,2,5,12H2/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...				ACS Med Chem Lett 6: 562-7 (2015) Article DOI: 10.1021/acsmedchemlett.5b00050 BindingDB Entry DOI: 10.7270/Q2TM7CW4
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM1436 (1-[[2-(benzyloxy)ethoxy]methyl]-5-ethyl-6-(phenylt...) Show SMILES CCc1c(Sc2ccccc2)n(COCCOCc2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C22H24N2O4S/c1-2-19-20(25)23-22(26)24(21(19)29-18-11-7-4-8-12-18)16-28-14-13-27-15-17-9-5-3-6-10-17/h3-12H,2,13-16H2,1H3,(H,23,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Mannheim GmbH					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 36: 2526-35 (1993) Article DOI: 10.1021/jm00069a011 BindingDB Entry DOI: 10.7270/Q2BR8QCZ
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50092079 (CHEMBL3582439) Show SMILES Fc1cccc(c1)[C@H]1CCCN1c1ccc2ncc(-c3ccccn3)n2n1 |r| Show InChI InChI=1S/C21H18FN5/c22-16-6-3-5-15(13-16)18-8-4-12-26(18)21-10-9-20-24-14-19(27(20)25-21)17-7-1-2-11-23-17/h1-3,5-7,9-11,13-14,18H,4,8,12H2/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of Tel-fused TRKA (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...				ACS Med Chem Lett 6: 562-7 (2015) Article DOI: 10.1021/acsmedchemlett.5b00050 BindingDB Entry DOI: 10.7270/Q2TM7CW4
					More data for this Ligand-Target Pair				3D Structure (crystal)
NT-3 growth factor receptor (Homo sapiens (Human))	BDBM50092104 (CHEMBL3582432) Show SMILES Fc1cccc(CNc2ccc3ncc(-c4ccc(NC(=O)C5CCOCC5)cc4)n3n2)c1 Show InChI InChI=1S/C22H30N4O4/c27-20(28)12-19-21(29)24-13-17-11-16(1-2-18(17)25-19)22(30)26-9-5-15(6-10-26)14-3-7-23-8-4-14/h1-2,11,14-15,19,23,25H,3-10,12-13H2,(H,24,29)(H,27,28)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of Tel-fused TRKC (unknown origin) overexpressed in mouse BA/F3 cells assessed as inhibition of cell proliferation after 48 hrs by lucifer...				ACS Med Chem Lett 6: 562-7 (2015) Article DOI: 10.1021/acsmedchemlett.5b00050 BindingDB Entry DOI: 10.7270/Q2TM7CW4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50311926 (CHEMBL1076436 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...) Show SMILES CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c1 Show InChI InChI=1S/C31H30F3N9O/c1-19-7-8-22(38-29(44)20-13-21(31(32,33)34)15-23(14-20)42-11-9-41(2)10-12-42)16-25(19)40-30-39-24-5-3-4-6-26(24)43(30)28-17-27(35)36-18-37-28/h3-8,13-18H,9-12H2,1-2H3,(H,38,44)(H,39,40)(H2,35,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of Tel-fused LCK expressed in mouse BAF3 cells				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM482158 (BDBM50242742 | TAE684) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1 Show InChI InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of NPM-fused ALK (unknown origin) expressed in mouse BAF3 cells after 2 to 3 days by luciferase reporter gene assay				J Med Chem 56: 5675-90 (2014) Article DOI: 10.1021/jm400402q BindingDB Entry DOI: 10.7270/Q2G1627J
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50384724 (CHEMBL2037221) Show SMILES CCN(CC)CCNC(=O)c1c[nH]c(\C=C2/C(=O)Nc3cc(Nc4cccc(NC(=O)c5cc(cc(c5)C(F)(F)F)N5CCN(C)CC5)c4)ccc23)c1 Show InChI InChI=1S/C39H43F3N8O3/c1-4-49(5-2)12-11-43-36(51)26-18-31(44-24-26)22-34-33-10-9-30(23-35(33)47-38(34)53)45-28-7-6-8-29(21-28)46-37(52)25-17-27(39(40,41)42)20-32(19-25)50-15-13-48(3)14-16-50/h6-10,17-24,44-45H,4-5,11-16H2,1-3H3,(H,43,51)(H,46,52)(H,47,53)/b34-22-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of TRKA by HTRF assay				ACS Med Chem Lett 3: 140-145 (2012) Article DOI: 10.1021/ml200261d BindingDB Entry DOI: 10.7270/Q2SJ1MNM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50311927 (CHEMBL1076437 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...) Show SMILES CCN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c1 Show InChI InChI=1S/C32H32F3N9O/c1-3-42-10-12-43(13-11-42)24-15-21(14-22(16-24)32(33,34)35)30(45)39-23-9-8-20(2)26(17-23)41-31-40-25-6-4-5-7-27(25)44(31)29-18-28(36)37-19-38-29/h4-9,14-19H,3,10-13H2,1-2H3,(H,39,45)(H,40,41)(H2,36,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of Tel-fused LCK expressed in mouse BAF3 cells				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50311921 (CHEMBL1086731 | N-(3-(1-(6-aminopyrimidin-4-yl)-1H...) Show SMILES Cc1ccc(NC(=O)c2ccc(s2)C(C)(C)C)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1 Show InChI InChI=1S/C27H27N7OS/c1-16-9-10-17(31-25(35)21-11-12-22(36-21)27(2,3)4)13-19(16)33-26-32-18-7-5-6-8-20(18)34(26)24-14-23(28)29-15-30-24/h5-15H,1-4H3,(H,31,35)(H,32,33)(H2,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation (GNF) Curated by ChEMBL					Assay Description Inhibition of Tel-fused KDR expressed in mouse BAF3 cells				Bioorg Med Chem Lett 19: 6691-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.123 BindingDB Entry DOI: 10.7270/Q2Q52PRR
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 2434 total )  |  Next  |  Last  >>

Jump to: