Compile Data Set for Download or QSAR

Found 420 hits with Last Name = 'chopiuk' and Initial = 'g'   

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
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)
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
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
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
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
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
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
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
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
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)
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
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
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)
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
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
BDNF/NT-3 growth factors 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 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
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
NT-3 growth factor receptor (Homo sapiens (Human))	BDBM50092086 (CHEMBL3582433) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc2ccc(NCc3cccc(F)c3)nn12 Show InChI InChI=1S/C19H16FN5O2S/c20-15-3-1-2-13(10-15)11-22-18-8-9-19-23-12-17(25(19)24-18)14-4-6-16(7-5-14)28(21,26)27/h1-10,12H,11H2,(H,22,24)(H2,21,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
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))	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	4	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))	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 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
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
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	4	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 ALK kinase-mediated mouse BaF3 cell proliferation				Proc Natl Acad Sci U S A 104: 270-5 (2007) Article DOI: 10.1073/pnas.0609412103 BindingDB Entry DOI: 10.7270/Q2BP02K2
					More data for this Ligand-Target Pair
High affinity nerve 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 UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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 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
High affinity nerve 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 UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	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
NT-3 growth factor receptor (Homo sapiens (Human))	BDBM50092090 (CHEMBL3582429) Show SMILES Fc1cccc(CNc2ccc3ncc(-c4ccc(cc4)C#N)n3n2)c1 Show InChI InChI=1S/C20H14FN5/c21-17-3-1-2-15(10-17)12-23-19-8-9-20-24-13-18(26(20)25-19)16-6-4-14(11-22)5-7-16/h1-10,13H,12H2,(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	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
Insulin 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 MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7	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 insulin receptor (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
Integrin-linked protein kinase (Homo sapiens (Human))	BDBM123945 (US8754233, 2-(5-Amino-3-methyl-1H-pyrazol-4-yl)-5-...) Show SMILES Cc1[nH]nc(N)c1-c1nc2cc(F)c(cc2s1)S(N)(=O)=O Show InChI InChI=1S/C11H10FN5O2S2/c1-4-9(10(13)17-16-4)11-15-6-2-5(12)8(21(14,18)19)3-7(6)20-11/h2-3H,1H3,(H3,13,16,17)(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	40
Dermira (Canada), Inc. US Patent					Assay Description 5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...				US Patent US8754233 (2014) BindingDB Entry DOI: 10.7270/Q23N2231
					More data for this Ligand-Target Pair
BDNF/NT-3 growth factors 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 DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	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
NT-3 growth factor receptor (Homo sapiens (Human))	BDBM50092083 (CHEMBL3582436) Show SMILES Fc1cccc(c1)C1CCCN1c1ccc2ncc(-c3ccc(cc3)C#N)n2n1 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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL 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
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
Insulin-like growth factor 1 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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8	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 IGF1 receptor (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
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50436863 (CHEMBL2403836) Show SMILES CC(C)Oc1cc(C2CCN(CCO)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C30H40ClN5O4S/c1-19(2)40-27-17-23(22-10-12-36(13-11-22)14-15-37)21(5)16-26(27)34-30-32-18-24(31)29(35-30)33-25-8-6-7-9-28(25)41(38,39)20(3)4/h6-9,16-20,22,37H,10-15H2,1-5H3,(H2,32,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10	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
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	<10	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Decrease in ALK phosphorylation in human SUDHL1 cells after 4 hrs				Proc Natl Acad Sci U S A 104: 270-5 (2007) Article DOI: 10.1073/pnas.0609412103 BindingDB Entry DOI: 10.7270/Q2BP02K2
					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	<10	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Decrease in ALK phosphorylation in human Karpas299 cells after 4 hrs				Proc Natl Acad Sci U S A 104: 270-5 (2007) Article DOI: 10.1073/pnas.0609412103 BindingDB Entry DOI: 10.7270/Q2BP02K2
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Mus musculus)	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 MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Decrease in ALK phosphorylation in mouse Ba/F3 NPM-ALK cells after 4 hrs				Proc Natl Acad Sci U S A 104: 270-5 (2007) Article DOI: 10.1073/pnas.0609412103 BindingDB Entry DOI: 10.7270/Q2BP02K2
					More data for this Ligand-Target Pair
Integrin-linked protein kinase (Homo sapiens (Human))	BDBM124052 (US8754233, 5-(3-Amino-propyl)-4-benzothiazol-2-yl-...) Show SMILES NCCCc1[nH]nc(N)c1-c1nc2ccccc2s1 Show InChI InChI=1S/C13H15N5S/c14-7-3-5-9-11(12(15)18-17-9)13-16-8-4-1-2-6-10(8)19-13/h1-2,4,6H,3,5,7,14H2,(H3,15,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	40
Dermira (Canada), Inc. US Patent					Assay Description 5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...				US Patent US8754233 (2014) BindingDB Entry DOI: 10.7270/Q23N2231
					More data for this Ligand-Target Pair
Integrin-linked protein kinase (Homo sapiens (Human))	BDBM123951 (US8754233, 2-(5-Amino-3-methyl-1H-pyrazol-4-yl)-be...) Show SMILES Cc1[nH]nc(N)c1-c1nc2ccc(cc2s1)S(N)(=O)=O Show InChI InChI=1S/C11H11N5O2S2/c1-5-9(10(12)16-15-5)11-14-7-3-2-6(20(13,17)18)4-8(7)19-11/h2-4H,1H3,(H3,12,15,16)(H2,13,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	40
Dermira (Canada), Inc. US Patent					Assay Description 5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...				US Patent US8754233 (2014) BindingDB Entry DOI: 10.7270/Q23N2231
					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	10	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
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50436862 (CHEMBL2403845) Show SMILES CC(C)Oc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1CCNCC1 Show InChI InChI=1S/C27H34ClN5O3S/c1-17(2)36-24-15-20(19-11-13-29-14-12-19)9-10-22(24)32-27-30-16-21(28)26(33-27)31-23-7-5-6-8-25(23)37(34,35)18(3)4/h5-10,15-19,29H,11-14H2,1-4H3,(H2,30,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	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
NT-3 growth factor receptor (Homo sapiens (Human))	BDBM50092088 (CHEMBL3582434) Show SMILES Fc1cccc(c1)C1CCCCN1c1ccc2ncc(-c3ccc(cc3)C#N)n2n1 Show InChI InChI=1S/C24H20FN5/c25-20-5-3-4-19(14-20)21-6-1-2-13-29(21)24-12-11-23-27-16-22(30(23)28-24)18-9-7-17(15-26)8-10-18/h3-5,7-12,14,16,21H,1-2,6,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	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
BDNF/NT-3 growth factors 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 DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	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
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50436861 (CHEMBL2403849) Show SMILES CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C29H38ClN5O3S/c1-18(2)38-26-16-22(21-11-13-35(6)14-12-21)20(5)15-25(26)33-29-31-17-23(30)28(34-29)32-24-9-7-8-10-27(24)39(36,37)19(3)4/h7-10,15-19,21H,11-14H2,1-6H3,(H2,31,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	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
BDNF/NT-3 growth factors receptor (Homo sapiens (Human))	BDBM50092086 (CHEMBL3582433) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc2ccc(NCc3cccc(F)c3)nn12 Show InChI InChI=1S/C19H16FN5O2S/c20-15-3-1-2-13(10-15)11-22-18-8-9-19-23-12-17(25(19)24-18)14-4-6-16(7-5-14)28(21,26)27/h1-10,12H,11H2,(H,22,24)(H2,21,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	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
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50436860 (CHEMBL2403843) Show SMILES CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1ncc(C)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C30H41N5O3S/c1-19(2)38-27-17-24(23-12-14-35(7)15-13-23)21(5)16-26(27)33-30-31-18-22(6)29(34-30)32-25-10-8-9-11-28(25)39(36,37)20(3)4/h8-11,16-20,23H,12-15H2,1-7H3,(H2,31,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	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
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50436858 (CHEMBL2403848) Show SMILES CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cc(C)c(cc2OC2CCC2)C2CCNCC2)ncc1Cl Show InChI InChI=1S/C29H36ClN5O3S/c1-18(2)39(36,37)27-10-5-4-9-24(27)33-28-23(30)17-32-29(35-28)34-25-15-19(3)22(20-11-13-31-14-12-20)16-26(25)38-21-7-6-8-21/h4-5,9-10,15-18,20-21,31H,6-8,11-14H2,1-3H3,(H2,32,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	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
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50436859 (CHEMBL2403841) Show SMILES CC(C)Oc1cc(C2CCN(CC(N)=O)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C30H39ClN6O4S/c1-18(2)41-26-15-22(21-10-12-37(13-11-21)17-28(32)38)20(5)14-25(26)35-30-33-16-23(31)29(36-30)34-24-8-6-7-9-27(24)42(39,40)19(3)4/h6-9,14-16,18-19,21H,10-13,17H2,1-5H3,(H2,32,38)(H2,33,34,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	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
NT-3 growth factor receptor (Homo sapiens (Human))	BDBM50092089 (CHEMBL3582435) Show SMILES Fc1cccc(c1)C1COCCN1c1ccc2ncc(-c3ccc(cc3)C#N)n2n1 Show InChI InChI=1S/C23H18FN5O/c24-19-3-1-2-18(12-19)21-15-30-11-10-28(21)23-9-8-22-26-14-20(29(22)27-23)17-6-4-16(13-25)5-7-17/h1-9,12,14,21H,10-11,15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL 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
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
Integrin-linked protein kinase (Homo sapiens (Human))	BDBM124022 (US8754233, 4-Benzothiazol-2-yl-5-(3-methylamino-pr...) Show SMILES CNCCCc1[nH]nc(N)c1-c1nc2ccccc2s1 Show InChI InChI=1S/C14H17N5S/c1-16-8-4-6-10-12(13(15)19-18-10)14-17-9-5-2-3-7-11(9)20-14/h2-3,5,7,16H,4,6,8H2,1H3,(H3,15,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	40
Dermira (Canada), Inc. US Patent					Assay Description 5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...				US Patent US8754233 (2014) BindingDB Entry DOI: 10.7270/Q23N2231
					More data for this Ligand-Target Pair
NT-3 growth factor receptor (Homo sapiens (Human))	BDBM50092087 (CHEMBL3580682) Show SMILES CN(Cc1ccccc1)c1ccc2ncc(-c3ccc(cc3)C#N)n2n1 Show InChI InChI=1S/C21H17N5/c1-25(15-17-5-3-2-4-6-17)21-12-11-20-23-14-19(26(20)24-21)18-9-7-16(13-22)8-10-18/h2-12,14H,15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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 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
Integrin-linked protein kinase (Homo sapiens (Human))	BDBM124067 (US8754233, N3-(2-Amino-ethyl)-4-benzothiazol-2-yl-...) Show SMILES NCCNc1[nH]nc(N)c1-c1nc2ccccc2s1 Show InChI InChI=1S/C12H14N6S/c13-5-6-15-11-9(10(14)17-18-11)12-16-7-3-1-2-4-8(7)19-12/h1-4H,5-6,13H2,(H4,14,15,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	40
Dermira (Canada), Inc. US Patent					Assay Description 5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...				US Patent US8754233 (2014) BindingDB Entry DOI: 10.7270/Q23N2231
					More data for this Ligand-Target Pair
Integrin-linked protein kinase (Homo sapiens (Human))	BDBM123930 (US8754233, 2-(3-Amino-1H-pyrazol-4-yl)-5-fluoro-be...) Show SMILES Nc1[nH]ncc1-c1nc2cc(F)c(cc2s1)S(N)(=O)=O Show InChI InChI=1S/C10H8FN5O2S2/c11-5-1-6-7(2-8(5)20(13,17)18)19-10(15-6)4-3-14-16-9(4)12/h1-3H,(H3,12,14,16)(H2,13,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	40
Dermira (Canada), Inc. US Patent					Assay Description 5 uL of each compound dilution were robotically pipetted to Costar serocluster plates maintaining the same plate layout. All assay mixtures consisted...				US Patent US8754233 (2014) BindingDB Entry DOI: 10.7270/Q23N2231
					More data for this Ligand-Target Pair
BDNF/NT-3 growth factors receptor (Homo sapiens (Human))	BDBM50092090 (CHEMBL3582429) Show SMILES Fc1cccc(CNc2ccc3ncc(-c4ccc(cc4)C#N)n3n2)c1 Show InChI InChI=1S/C20H14FN5/c21-17-3-1-2-15(10-17)12-23-19-8-9-20-24-13-18(26(20)25-19)16-6-4-14(11-22)5-7-16/h1-10,13H,12H2,(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	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

Displayed 1 to 50 (of 420 total )  |  Next  |  Last  >>

Jump to: