Compile Data Set for Download or QSAR

Found 61 hits with Last Name = 'tucker' and Initial = 'e'   

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
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM25121 (4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	<2.60	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of PLK1 (unknown origin) using Ser/Thr 16 as substrate after 60 mins by Z-LYTE activity assay				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50526301 (CHEMBL4456099) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C27H38N6O2/c1-5-22-26(34)32(3)23-17-28-27(30-25(23)33(22)20-8-6-7-9-20)29-21-11-10-19(16-24(21)35-4)18-12-14-31(2)15-13-18/h10-11,16-18,20,22H,5-9,12-15H2,1-4H3,(H,28,29,30)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of PLK1 (unknown origin) using Ser/Thr 16 as substrate after 60 mins by Z-LYTE activity assay				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50526302 (CHEMBL4464826) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 |r| Show InChI InChI=1S/C29H41N7O3/c1-5-23-28(38)35(4)24-18-30-29(33-26(24)36(23)21-9-7-8-10-21)32-22-12-11-19(17-25(22)39-6-2)27(37)31-20-13-15-34(3)16-14-20/h11-12,17-18,20-21,23H,5-10,13-16H2,1-4H3,(H,31,37)(H,30,32,33)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of PLK1 (unknown origin) using Ser/Thr 16 as substrate after 60 mins by Z-LYTE activity assay				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50526296 (CHEMBL4449858) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3cc(C)cs3)c2n1)C1CCN(C)CC1 |r| Show InChI InChI=1S/C29H38N6O2S/c1-6-24-28(36)34(5)25-16-30-29(32-27(25)35(24)17-22-14-19(3)18-38-22)31-23-9-8-21(15-26(23)37-7-2)20-10-12-33(4)13-11-20/h8-9,14-16,18,20,24H,6-7,10-13,17H2,1-5H3,(H,30,31,32)/t24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Displacement of kinase tracer 236 from human N-terminal GST-tagged ALK F1174L mutant (1058 to 1620 residues) after 60 mins by LanthaScreen Eu--kinase...				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50526309 (CHEMBL4543331) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3sccc3C)c2n1)C1CCN(C)CC1 |r| Show InChI InChI=1S/C29H38N6O2S/c1-6-23-28(36)34(5)24-17-30-29(32-27(24)35(23)18-26-19(3)12-15-38-26)31-22-9-8-21(16-25(22)37-7-2)20-10-13-33(4)14-11-20/h8-9,12,15-17,20,23H,6-7,10-11,13-14,18H2,1-5H3,(H,30,31,32)/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Displacement of kinase tracer 236 from human N-terminal GST-tagged ALK F1174L mutant (1058 to 1620 residues) after 60 mins by LanthaScreen Eu--kinase...				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50526309 (CHEMBL4543331) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3sccc3C)c2n1)C1CCN(C)CC1 |r| Show InChI InChI=1S/C29H38N6O2S/c1-6-23-28(36)34(5)24-17-30-29(32-27(24)35(23)18-26-19(3)12-15-38-26)31-22-9-8-21(16-25(22)37-7-2)20-10-13-33(4)14-11-20/h8-9,12,15-17,20,23H,6-7,10-11,13-14,18H2,1-5H3,(H,30,31,32)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of PLK1 (unknown origin) using Ser/Thr 16 as substrate after 60 mins by Z-LYTE activity assay				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					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	79	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of ALK F1174L mutant auto-phosphorylation in human Kelly cells after 3 hrs by MSD assay				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50526303 (CHEMBL4457809) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3ccccc3)c2n1)C(=O)NC1CCN(C)CC1 |r| Show InChI InChI=1S/C31H39N7O3/c1-5-25-30(40)37(4)26-19-32-31(35-28(26)38(25)20-21-10-8-7-9-11-21)34-24-13-12-22(18-27(24)41-6-2)29(39)33-23-14-16-36(3)17-15-23/h7-13,18-19,23,25H,5-6,14-17,20H2,1-4H3,(H,33,39)(H,32,34,35)/t25-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of PLK1 (unknown origin) using Ser/Thr 16 as substrate after 60 mins by Z-LYTE activity assay				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50526295 (CHEMBL4469087) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3ccccc3)c2n1)C1CCN(C)CC1 |r| Show InChI InChI=1S/C30H38N6O2/c1-5-25-29(37)35(4)26-19-31-30(33-28(26)36(25)20-21-10-8-7-9-11-21)32-24-13-12-23(18-27(24)38-6-2)22-14-16-34(3)17-15-22/h7-13,18-19,22,25H,5-6,14-17,20H2,1-4H3,(H,31,32,33)/t25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Displacement of kinase tracer 236 from human N-terminal GST-tagged ALK F1174L mutant (1058 to 1620 residues) after 60 mins by LanthaScreen Eu--kinase...				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50526300 (CHEMBL4469756) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3cccc(Br)c3)c2n1)C(=O)NC1CCN(C)CC1 |r| Show InChI InChI=1S/C31H38BrN7O3/c1-5-25-30(41)38(4)26-18-33-31(36-28(26)39(25)19-20-8-7-9-22(32)16-20)35-24-11-10-21(17-27(24)42-6-2)29(40)34-23-12-14-37(3)15-13-23/h7-11,16-18,23,25H,5-6,12-15,19H2,1-4H3,(H,34,40)(H,33,35,36)/t25-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of PLK1 (unknown origin) using Ser/Thr 16 as substrate after 60 mins by Z-LYTE activity assay				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50526296 (CHEMBL4449858) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3cc(C)cs3)c2n1)C1CCN(C)CC1 |r| Show InChI InChI=1S/C29H38N6O2S/c1-6-24-28(36)34(5)25-16-30-29(32-27(25)35(24)17-22-14-19(3)18-38-22)31-23-9-8-21(15-26(23)37-7-2)20-10-12-33(4)13-11-20/h8-9,14-16,18,20,24H,6-7,10-13,17H2,1-5H3,(H,30,31,32)/t24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of PLK1 (unknown origin) using Ser/Thr 16 as substrate after 60 mins by Z-LYTE activity assay				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50526305 (CHEMBL4557730) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3ccccc3Br)c2n1)C1CCN(C)CC1 |r| Show InChI InChI=1S/C30H37BrN6O2/c1-5-25-29(38)36(4)26-18-32-30(34-28(26)37(25)19-22-9-7-8-10-23(22)31)33-24-12-11-21(17-27(24)39-6-2)20-13-15-35(3)16-14-20/h7-12,17-18,20,25H,5-6,13-16,19H2,1-4H3,(H,32,33,34)/t25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Displacement of kinase tracer 236 from human N-terminal GST-tagged ALK F1174L mutant (1058 to 1620 residues) after 60 mins by LanthaScreen Eu--kinase...				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM25121 (4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Displacement of kinase tracer 236 from human N-terminal GST-tagged ALK F1174L mutant (1058 to 1620 residues) after 60 mins by LanthaScreen Eu--kinase...				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50526297 (CHEMBL4448214) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3cccc(Cl)c3)c2n1)C1CCN(C)CC1 |r| Show InChI InChI=1S/C30H37ClN6O2/c1-5-25-29(38)36(4)26-18-32-30(34-28(26)37(25)19-20-8-7-9-23(31)16-20)33-24-11-10-22(17-27(24)39-6-2)21-12-14-35(3)15-13-21/h7-11,16-18,21,25H,5-6,12-15,19H2,1-4H3,(H,32,33,34)/t25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Displacement of kinase tracer 236 from human N-terminal GST-tagged ALK F1174L mutant (1058 to 1620 residues) after 60 mins by LanthaScreen Eu--kinase...				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50526307 (CHEMBL4519103) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3ccc(C)s3)c2n1)C1CCN(C)CC1 |r| Show InChI InChI=1S/C29H38N6O2S/c1-6-24-28(36)34(5)25-17-30-29(32-27(25)35(24)18-22-10-8-19(3)38-22)31-23-11-9-21(16-26(23)37-7-2)20-12-14-33(4)15-13-20/h8-11,16-17,20,24H,6-7,12-15,18H2,1-5H3,(H,30,31,32)/t24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Displacement of kinase tracer 236 from human N-terminal GST-tagged ALK F1174L mutant (1058 to 1620 residues) after 60 mins by LanthaScreen Eu--kinase...				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50526296 (CHEMBL4449858) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3cc(C)cs3)c2n1)C1CCN(C)CC1 |r| Show InChI InChI=1S/C29H38N6O2S/c1-6-24-28(36)34(5)25-16-30-29(32-27(25)35(24)17-22-14-19(3)18-38-22)31-23-9-8-21(15-26(23)37-7-2)20-10-12-33(4)13-11-20/h8-9,14-16,18,20,24H,6-7,10-13,17H2,1-5H3,(H,30,31,32)/t24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full-length C-terminal NanoLuc-tagged BRD4 BD1 (unknown origin) expressed in human HEK293 cells after 2 hrs by NanoBRET target engageme...				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50526295 (CHEMBL4469087) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3ccccc3)c2n1)C1CCN(C)CC1 |r| Show InChI InChI=1S/C30H38N6O2/c1-5-25-29(37)35(4)26-19-31-30(33-28(26)36(25)20-21-10-8-7-9-11-21)32-24-13-12-23(18-27(24)38-6-2)22-14-16-34(3)17-15-22/h7-13,18-19,22,25H,5-6,14-17,20H2,1-4H3,(H,31,32,33)/t25-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of PLK1 (unknown origin) using Ser/Thr 16 as substrate after 60 mins by Z-LYTE activity assay				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50526304 (CHEMBL4451065) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3cccc(Br)c3)c2n1)C1CCN(C)CC1 |r| Show InChI InChI=1S/C30H37BrN6O2/c1-5-25-29(38)36(4)26-18-32-30(34-28(26)37(25)19-20-8-7-9-23(31)16-20)33-24-11-10-22(17-27(24)39-6-2)21-12-14-35(3)15-13-21/h7-11,16-18,21,25H,5-6,12-15,19H2,1-4H3,(H,32,33,34)/t25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Displacement of kinase tracer 236 from human N-terminal GST-tagged ALK F1174L mutant (1058 to 1620 residues) after 60 mins by LanthaScreen Eu--kinase...				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50526301 (CHEMBL4456099) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C27H38N6O2/c1-5-22-26(34)32(3)23-17-28-27(30-25(23)33(22)20-8-6-7-9-20)29-21-11-10-19(16-24(21)35-4)18-12-14-31(2)15-13-18/h10-11,16-18,20,22H,5-9,12-15H2,1-4H3,(H,28,29,30)/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Displacement of kinase tracer 236 from human N-terminal GST-tagged ALK F1174L mutant (1058 to 1620 residues) after 60 mins by LanthaScreen Eu--kinase...				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM25121 (4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full-length C-terminal NanoLuc-tagged BRD4 BD1 (unknown origin) expressed in human HEK293 cells after 2 hrs by NanoBRET target engageme...				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50526309 (CHEMBL4543331) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3sccc3C)c2n1)C1CCN(C)CC1 |r| Show InChI InChI=1S/C29H38N6O2S/c1-6-23-28(36)34(5)24-17-30-29(32-27(24)35(23)18-26-19(3)12-15-38-26)31-22-9-8-21(16-25(22)37-7-2)20-10-13-33(4)14-11-20/h8-9,12,15-17,20,23H,6-7,10-11,13-14,18H2,1-5H3,(H,30,31,32)/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full-length C-terminal NanoLuc-tagged BRD4 BD1 (unknown origin) expressed in human HEK293 cells after 2 hrs by NanoBRET target engageme...				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50526299 (CHEMBL4454885) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3cccc(OC)c3)c2n1)C1CCN(C)CC1 |r| Show InChI InChI=1S/C31H40N6O3/c1-6-26-30(38)36(4)27-19-32-31(34-29(27)37(26)20-21-9-8-10-24(17-21)39-5)33-25-12-11-23(18-28(25)40-7-2)22-13-15-35(3)16-14-22/h8-12,17-19,22,26H,6-7,13-16,20H2,1-5H3,(H,32,33,34)/t26-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Displacement of kinase tracer 236 from human N-terminal GST-tagged ALK F1174L mutant (1058 to 1620 residues) after 60 mins by LanthaScreen Eu--kinase...				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50526294 (CHEMBL4588843) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3cccc(c3)C#N)c2n1)C1CCN(C)CC1 |r| Show InChI InChI=1S/C31H37N7O2/c1-5-26-30(39)37(4)27-19-33-31(35-29(27)38(26)20-22-9-7-8-21(16-22)18-32)34-25-11-10-24(17-28(25)40-6-2)23-12-14-36(3)15-13-23/h7-11,16-17,19,23,26H,5-6,12-15,20H2,1-4H3,(H,33,34,35)/t26-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Displacement of kinase tracer 236 from human N-terminal GST-tagged ALK F1174L mutant (1058 to 1620 residues) after 60 mins by LanthaScreen Eu--kinase...				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50526308 (CHEMBL4549308) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3scnc3C)c2n1)C1CCN(C)CC1 |r| Show InChI InChI=1S/C28H37N7O2S/c1-6-22-27(36)34(5)23-15-29-28(32-26(23)35(22)16-25-18(3)30-17-38-25)31-21-9-8-20(14-24(21)37-7-2)19-10-12-33(4)13-11-19/h8-9,14-15,17,19,22H,6-7,10-13,16H2,1-5H3,(H,29,31,32)/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Displacement of kinase tracer 236 from human N-terminal GST-tagged ALK F1174L mutant (1058 to 1620 residues) after 60 mins by LanthaScreen Eu--kinase...				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50526302 (CHEMBL4464826) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 |r| Show InChI InChI=1S/C29H41N7O3/c1-5-23-28(38)35(4)24-18-30-29(33-26(24)36(23)21-9-7-8-10-21)32-22-12-11-19(17-25(22)39-6-2)27(37)31-20-13-15-34(3)16-14-20/h11-12,17-18,20-21,23H,5-10,13-16H2,1-4H3,(H,31,37)(H,30,32,33)/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Displacement of kinase tracer 236 from human N-terminal GST-tagged ALK F1174L mutant (1058 to 1620 residues) after 60 mins by LanthaScreen Eu--kinase...				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM25121 (4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of ALK (unknown origin)				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50526303 (CHEMBL4457809) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3ccccc3)c2n1)C(=O)NC1CCN(C)CC1 |r| Show InChI InChI=1S/C31H39N7O3/c1-5-25-30(40)37(4)26-19-32-31(35-28(26)38(25)20-21-10-8-7-9-11-21)34-24-13-12-22(18-27(24)41-6-2)29(39)33-23-14-16-36(3)17-15-23/h7-13,18-19,23,25H,5-6,14-17,20H2,1-4H3,(H,33,39)(H,32,34,35)/t25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Displacement of kinase tracer 236 from human N-terminal GST-tagged ALK F1174L mutant (1058 to 1620 residues) after 60 mins by LanthaScreen Eu--kinase...				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50526296 (CHEMBL4449858) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3cc(C)cs3)c2n1)C1CCN(C)CC1 |r| Show InChI InChI=1S/C29H38N6O2S/c1-6-24-28(36)34(5)25-16-30-29(32-27(25)35(24)17-22-14-19(3)18-38-22)31-23-9-8-21(15-26(23)37-7-2)20-10-12-33(4)13-11-20/h8-9,14-16,18,20,24H,6-7,10-13,17H2,1-5H3,(H,30,31,32)/t24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full-length C-terminal NanoLuc-tagged ALK (unknown origin) expressed in human HEK293 cells after 2 hrs by NanoBRET target engagement as...				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50526300 (CHEMBL4469756) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3cccc(Br)c3)c2n1)C(=O)NC1CCN(C)CC1 |r| Show InChI InChI=1S/C31H38BrN7O3/c1-5-25-30(41)38(4)26-18-33-31(36-28(26)39(25)19-20-8-7-9-22(32)16-20)35-24-11-10-21(17-27(24)42-6-2)29(40)34-23-12-14-37(3)15-13-23/h7-11,16-18,23,25H,5-6,12-15,19H2,1-4H3,(H,34,40)(H,33,35,36)/t25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Displacement of kinase tracer 236 from human N-terminal GST-tagged ALK F1174L mutant (1058 to 1620 residues) after 60 mins by LanthaScreen Eu--kinase...				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50526298 (CHEMBL4436006) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)CN(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 Show InChI InChI=1S/C27H37N7O3/c1-4-37-23-15-18(26(36)29-19-11-13-32(2)14-12-19)9-10-21(23)30-27-28-16-22-25(31-27)34(17-24(35)33(22)3)20-7-5-6-8-20/h9-10,15-16,19-20H,4-8,11-14,17H2,1-3H3,(H,29,36)(H,28,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Displacement of kinase tracer 236 from human N-terminal GST-tagged ALK F1174L mutant (1058 to 1620 residues) after 60 mins by LanthaScreen Eu--kinase...				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50526304 (CHEMBL4451065) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3cccc(Br)c3)c2n1)C1CCN(C)CC1 |r| Show InChI InChI=1S/C30H37BrN6O2/c1-5-25-29(38)36(4)26-18-32-30(34-28(26)37(25)19-20-8-7-9-23(31)16-20)33-24-11-10-22(17-27(24)39-6-2)21-12-14-35(3)15-13-21/h7-11,16-18,21,25H,5-6,12-15,19H2,1-4H3,(H,32,33,34)/t25-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of PLK1 (unknown origin) using Ser/Thr 16 as substrate after 60 mins by Z-LYTE activity assay				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50526297 (CHEMBL4448214) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3cccc(Cl)c3)c2n1)C1CCN(C)CC1 |r| Show InChI InChI=1S/C30H37ClN6O2/c1-5-25-29(38)36(4)26-18-32-30(34-28(26)37(25)19-20-8-7-9-23(31)16-20)33-24-11-10-22(17-27(24)39-6-2)21-12-14-35(3)15-13-21/h7-11,16-18,21,25H,5-6,12-15,19H2,1-4H3,(H,32,33,34)/t25-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of PLK1 (unknown origin) using Ser/Thr 16 as substrate after 60 mins by Z-LYTE activity assay				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50526295 (CHEMBL4469087) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3ccccc3)c2n1)C1CCN(C)CC1 |r| Show InChI InChI=1S/C30H38N6O2/c1-5-25-29(37)35(4)26-19-31-30(33-28(26)36(25)20-21-10-8-7-9-11-21)32-24-13-12-23(18-27(24)38-6-2)22-14-16-34(3)17-15-22/h7-13,18-19,22,25H,5-6,14-17,20H2,1-4H3,(H,31,32,33)/t25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full-length C-terminal NanoLuc-tagged BRD4 BD1 (unknown origin) expressed in human HEK293 cells after 2 hrs by NanoBRET target engageme...				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50526306 (CHEMBL4459025) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3ccc(Br)cc3)c2n1)C1CCN(C)CC1 |r| Show InChI InChI=1S/C30H37BrN6O2/c1-5-25-29(38)36(4)26-18-32-30(34-28(26)37(25)19-20-7-10-23(31)11-8-20)33-24-12-9-22(17-27(24)39-6-2)21-13-15-35(3)16-14-21/h7-12,17-18,21,25H,5-6,13-16,19H2,1-4H3,(H,32,33,34)/t25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Displacement of kinase tracer 236 from human N-terminal GST-tagged ALK F1174L mutant (1058 to 1620 residues) after 60 mins by LanthaScreen Eu--kinase...				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM25121 (4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full-length C-terminal NanoLuc-tagged ALK (unknown origin) expressed in human HEK293 cells after 2 hrs by NanoBRET target engagement as...				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50526309 (CHEMBL4543331) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3sccc3C)c2n1)C1CCN(C)CC1 |r| Show InChI InChI=1S/C29H38N6O2S/c1-6-23-28(36)34(5)24-17-30-29(32-27(24)35(23)18-26-19(3)12-15-38-26)31-22-9-8-21(16-25(22)37-7-2)20-10-13-33(4)14-11-20/h8-9,12,15-17,20,23H,6-7,10-11,13-14,18H2,1-5H3,(H,30,31,32)/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full-length C-terminal NanoLuc-tagged ALK (unknown origin) expressed in human HEK293 cells after 2 hrs by NanoBRET target engagement as...				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50526296 (CHEMBL4449858) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3cc(C)cs3)c2n1)C1CCN(C)CC1 |r| Show InChI InChI=1S/C29H38N6O2S/c1-6-24-28(36)34(5)25-16-30-29(32-27(25)35(24)17-22-14-19(3)18-38-22)31-23-9-8-21(15-26(23)37-7-2)20-10-12-33(4)13-11-20/h8-9,14-16,18,20,24H,6-7,10-13,17H2,1-5H3,(H,30,31,32)/t24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of ALK F1174L mutant auto-phosphorylation in human Kelly cells after 3 hrs by MSD assay				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50526295 (CHEMBL4469087) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3ccccc3)c2n1)C1CCN(C)CC1 |r| Show InChI InChI=1S/C30H38N6O2/c1-5-25-29(37)35(4)26-19-31-30(33-28(26)36(25)20-21-10-8-7-9-11-21)32-24-13-12-23(18-27(24)38-6-2)22-14-16-34(3)17-15-22/h7-13,18-19,22,25H,5-6,14-17,20H2,1-4H3,(H,31,32,33)/t25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of full-length C-terminal NanoLuc-tagged ALK (unknown origin) expressed in human HEK293 cells after 2 hrs by NanoBRET target engagement as...				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50112342 (CHEMBL3609312) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OCC(C)C)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C31H45N7O3/c1-6-25-30(40)37(5)26-18-32-31(35-28(26)38(25)23-9-7-8-10-23)34-24-12-11-21(17-27(24)41-19-20(2)3)29(39)33-22-13-15-36(4)16-14-22/h11-12,17-18,20,22-23,25H,6-10,13-16,19H2,1-5H3,(H,33,39)(H,32,34,35)/t25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Displacement of kinase tracer 236 from human N-terminal GST-tagged ALK F1174L mutant (1058 to 1620 residues) after 60 mins by LanthaScreen Eu--kinase...				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50526294 (CHEMBL4588843) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3cccc(c3)C#N)c2n1)C1CCN(C)CC1 |r| Show InChI InChI=1S/C31H37N7O2/c1-5-26-30(39)37(4)27-19-33-31(35-29(27)38(26)20-22-9-7-8-21(16-22)18-32)34-25-11-10-24(17-28(25)40-6-2)23-12-14-36(3)15-13-23/h7-11,16-17,19,23,26H,5-6,12-15,20H2,1-4H3,(H,33,34,35)/t26-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of PLK1 (unknown origin) using Ser/Thr 16 as substrate after 60 mins by Z-LYTE activity assay				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50526310 (CHEMBL4551421) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@H](CC)N(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 |r| Show InChI InChI=1S/C29H41N7O3/c1-5-23-28(38)35(4)24-18-30-29(33-26(24)36(23)21-9-7-8-10-21)32-22-12-11-19(17-25(22)39-6-2)27(37)31-20-13-15-34(3)16-14-20/h11-12,17-18,20-21,23H,5-10,13-16H2,1-4H3,(H,31,37)(H,30,32,33)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Displacement of kinase tracer 236 from human N-terminal GST-tagged ALK F1174L mutant (1058 to 1620 residues) after 60 mins by LanthaScreen Eu--kinase...				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM25121 (4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of ALK F1174L mutant auto-phosphorylation in human Kelly cells after 3 hrs by MSD assay				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50526296 (CHEMBL4449858) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3cc(C)cs3)c2n1)C1CCN(C)CC1 |r| Show InChI InChI=1S/C29H38N6O2S/c1-6-24-28(36)34(5)25-16-30-29(32-27(25)35(24)17-22-14-19(3)18-38-22)31-23-9-8-21(15-26(23)37-7-2)20-10-12-33(4)13-11-20/h8-9,14-16,18,20,24H,6-7,10-13,17H2,1-5H3,(H,30,31,32)/t24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to BRD4 (unknown origin) by isothermal calorimetry				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50526302 (CHEMBL4464826) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 |r| Show InChI InChI=1S/C29H41N7O3/c1-5-23-28(38)35(4)24-18-30-29(33-26(24)36(23)21-9-7-8-10-21)32-22-12-11-19(17-25(22)39-6-2)27(37)31-20-13-15-34(3)16-14-20/h11-12,17-18,20-21,23H,5-10,13-16H2,1-4H3,(H,31,37)(H,30,32,33)/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to BRD4 (unknown origin) by isothermal calorimetry				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50526301 (CHEMBL4456099) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C27H38N6O2/c1-5-22-26(34)32(3)23-17-28-27(30-25(23)33(22)20-8-6-7-9-20)29-21-11-10-19(16-24(21)35-4)18-12-14-31(2)15-13-18/h10-11,16-18,20,22H,5-9,12-15H2,1-4H3,(H,28,29,30)/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to BRD4 (unknown origin) by isothermal calorimetry				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50526300 (CHEMBL4469756) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3cccc(Br)c3)c2n1)C(=O)NC1CCN(C)CC1 |r| Show InChI InChI=1S/C31H38BrN7O3/c1-5-25-30(41)38(4)26-18-33-31(36-28(26)39(25)19-20-8-7-9-22(32)16-20)35-24-11-10-21(17-27(24)42-6-2)29(40)34-23-12-14-37(3)15-13-23/h7-11,16-18,23,25H,5-6,12-15,19H2,1-4H3,(H,34,40)(H,33,35,36)/t25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to BRD4 (unknown origin) by isothermal calorimetry				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM25121 (4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r| Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to BRD4 (unknown origin) by isothermal calorimetry				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50526294 (CHEMBL4588843) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3cccc(c3)C#N)c2n1)C1CCN(C)CC1 |r| Show InChI InChI=1S/C31H37N7O2/c1-5-26-30(39)37(4)27-19-33-31(35-29(27)38(26)20-22-9-7-8-21(16-22)18-32)34-25-11-10-24(17-28(25)40-6-2)23-12-14-36(3)15-13-23/h7-11,16-17,19,23,26H,5-6,12-15,20H2,1-4H3,(H,33,34,35)/t26-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to BRD4 (unknown origin) by isothermal calorimetry				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50526296 (CHEMBL4449858) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3cc(C)cs3)c2n1)C1CCN(C)CC1 |r| Show InChI InChI=1S/C29H38N6O2S/c1-6-24-28(36)34(5)25-16-30-29(32-27(25)35(24)17-22-14-19(3)18-38-22)31-23-9-8-21(15-26(23)37-7-2)20-10-12-33(4)13-11-20/h8-9,14-16,18,20,24H,6-7,10-13,17H2,1-5H3,(H,30,31,32)/t24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human ALK F1174L mutant (1088 to 1409 residues) expressed in mammalian expression system by kinome scan-based assay				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50526295 (CHEMBL4469087) Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC)N(Cc3ccccc3)c2n1)C1CCN(C)CC1 |r| Show InChI InChI=1S/C30H38N6O2/c1-5-25-29(37)35(4)26-19-31-30(33-28(26)36(25)20-21-10-8-7-9-11-21)32-24-13-12-23(18-27(24)38-6-2)22-14-16-34(3)17-15-22/h7-13,18-19,22,25H,5-6,14-17,20H2,1-4H3,(H,31,32,33)/t25-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to BRD4 (unknown origin) by isothermal calorimetry				J Med Chem 62: 2618-2637 (2019) Article DOI: 10.1021/acs.jmedchem.8b01947 BindingDB Entry DOI: 10.7270/Q28S4TBZ
					More data for this Ligand-Target Pair

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