Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50000323   

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))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte...				J Med Chem 60: 9205-9221 (2017) Article DOI: 10.1021/acs.jmedchem.7b01039 BindingDB Entry DOI: 10.7270/Q26D5WF3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50246545 (CHEMBL4065208) Show SMILES Oc1ccc(Oc2ccnc3cc(ccc23)-c2cnn(c2)C2CCNCC2)cc1 Show InChI InChI=1S/C23H22N4O2/c28-19-2-4-20(5-3-19)29-23-9-12-25-22-13-16(1-6-21(22)23)17-14-26-27(15-17)18-7-10-24-11-8-18/h1-6,9,12-15,18,24,28H,7-8,10-11H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte...				J Med Chem 60: 9205-9221 (2017) Article DOI: 10.1021/acs.jmedchem.7b01039 BindingDB Entry DOI: 10.7270/Q26D5WF3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50246555 (CHEMBL4086648) Show SMILES Oc1ccc(Nc2ccnc3cc(ccc23)-c2cnn(c2)C2CCNCC2)cc1 Show InChI InChI=1S/C23H23N5O/c29-20-4-2-18(3-5-20)27-22-9-12-25-23-13-16(1-6-21(22)23)17-14-26-28(15-17)19-7-10-24-11-8-19/h1-6,9,12-15,19,24,29H,7-8,10-11H2,(H,25,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte...				J Med Chem 60: 9205-9221 (2017) Article DOI: 10.1021/acs.jmedchem.7b01039 BindingDB Entry DOI: 10.7270/Q26D5WF3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50246543 (CHEMBL4087615) Show SMILES COc1ccc(Oc2ccnc3cc(ccc23)-c2cnn(c2)C2CCNCC2)cc1 Show InChI InChI=1S/C24H24N4O2/c1-29-20-3-5-21(6-4-20)30-24-10-13-26-23-14-17(2-7-22(23)24)18-15-27-28(16-18)19-8-11-25-12-9-19/h2-7,10,13-16,19,25H,8-9,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte...				J Med Chem 60: 9205-9221 (2017) Article DOI: 10.1021/acs.jmedchem.7b01039 BindingDB Entry DOI: 10.7270/Q26D5WF3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50246469 (CHEMBL4102556) Show SMILES Fc1ccccc1Oc1ccnc2cc(ccc12)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C23H21FN4O/c24-20-3-1-2-4-23(20)29-22-9-12-26-21-13-16(5-6-19(21)22)17-14-27-28(15-17)18-7-10-25-11-8-18/h1-6,9,12-15,18,25H,7-8,10-11H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte...				J Med Chem 60: 9205-9221 (2017) Article DOI: 10.1021/acs.jmedchem.7b01039 BindingDB Entry DOI: 10.7270/Q26D5WF3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50246489 (CHEMBL4091441) Show SMILES Cc1ccc(Oc2ccnc3cc(ccc23)-c2cnn(c2)C2CCNCC2)cc1 Show InChI InChI=1S/C24H24N4O/c1-17-2-5-21(6-3-17)29-24-10-13-26-23-14-18(4-7-22(23)24)19-15-27-28(16-19)20-8-11-25-12-9-20/h2-7,10,13-16,20,25H,8-9,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte...				J Med Chem 60: 9205-9221 (2017) Article DOI: 10.1021/acs.jmedchem.7b01039 BindingDB Entry DOI: 10.7270/Q26D5WF3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50246496 (CHEMBL4070113) Show SMILES C1CC(CCN1)n1cc(cn1)-c1ccc2c(Oc3ccccc3)ccnc2c1 Show InChI InChI=1S/C23H22N4O/c1-2-4-20(5-3-1)28-23-10-13-25-22-14-17(6-7-21(22)23)18-15-26-27(16-18)19-8-11-24-12-9-19/h1-7,10,13-16,19,24H,8-9,11-12H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte...				J Med Chem 60: 9205-9221 (2017) Article DOI: 10.1021/acs.jmedchem.7b01039 BindingDB Entry DOI: 10.7270/Q26D5WF3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50246486 (CHEMBL4083663) Show SMILES Fc1ccc(Oc2ccnc3cc(ccc23)-c2cnn(c2)C2CCNCC2)cc1F Show InChI InChI=1S/C23H20F2N4O/c24-20-4-2-18(12-21(20)25)30-23-7-10-27-22-11-15(1-3-19(22)23)16-13-28-29(14-16)17-5-8-26-9-6-17/h1-4,7,10-14,17,26H,5-6,8-9H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte...				J Med Chem 60: 9205-9221 (2017) Article DOI: 10.1021/acs.jmedchem.7b01039 BindingDB Entry DOI: 10.7270/Q26D5WF3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50246542 (CHEMBL4064669) Show SMILES Fc1cccc(Oc2ccnc3cc(ccc23)-c2cnn(c2)C2CCNCC2)c1 Show InChI InChI=1S/C23H21FN4O/c24-18-2-1-3-20(13-18)29-23-8-11-26-22-12-16(4-5-21(22)23)17-14-27-28(15-17)19-6-9-25-10-7-19/h1-5,8,11-15,19,25H,6-7,9-10H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	155	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte...				J Med Chem 60: 9205-9221 (2017) Article DOI: 10.1021/acs.jmedchem.7b01039 BindingDB Entry DOI: 10.7270/Q26D5WF3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50246471 (CHEMBL4073990) Show SMILES Fc1ccc(Nc2ccnc3cc(ccc23)-c2cnn(c2)C2CCNCC2)cc1F Show InChI InChI=1S/C23H21F2N5/c24-20-4-2-17(12-21(20)25)29-22-7-10-27-23-11-15(1-3-19(22)23)16-13-28-30(14-16)18-5-8-26-9-6-18/h1-4,7,10-14,18,26H,5-6,8-9H2,(H,27,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	181	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte...				J Med Chem 60: 9205-9221 (2017) Article DOI: 10.1021/acs.jmedchem.7b01039 BindingDB Entry DOI: 10.7270/Q26D5WF3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50246441 (CHEMBL4076799) Show SMILES Cc1ccc(Nc2ccnc3cc(ccc23)-c2cnn(c2)C2CCNCC2)cc1 Show InChI InChI=1S/C24H25N5/c1-17-2-5-20(6-3-17)28-23-10-13-26-24-14-18(4-7-22(23)24)19-15-27-29(16-19)21-8-11-25-12-9-21/h2-7,10,13-16,21,25H,8-9,11-12H2,1H3,(H,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	201	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte...				J Med Chem 60: 9205-9221 (2017) Article DOI: 10.1021/acs.jmedchem.7b01039 BindingDB Entry DOI: 10.7270/Q26D5WF3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50246556 (CHEMBL4084608) Show SMILES Fc1ccccc1Nc1ccnc2cc(ccc12)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C23H22FN5/c24-20-3-1-2-4-22(20)28-21-9-12-26-23-13-16(5-6-19(21)23)17-14-27-29(15-17)18-7-10-25-11-8-18/h1-6,9,12-15,18,25H,7-8,10-11H2,(H,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	219	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte...				J Med Chem 60: 9205-9221 (2017) Article DOI: 10.1021/acs.jmedchem.7b01039 BindingDB Entry DOI: 10.7270/Q26D5WF3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50246511 (CHEMBL4095317) Show SMILES N#Cc1ccc(Oc2ccnc3cc(ccc23)-c2cnn(c2)C2CCNCC2)cc1 Show InChI InChI=1S/C24H21N5O/c25-14-17-1-4-21(5-2-17)30-24-9-12-27-23-13-18(3-6-22(23)24)19-15-28-29(16-19)20-7-10-26-11-8-20/h1-6,9,12-13,15-16,20,26H,7-8,10-11H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	231	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte...				J Med Chem 60: 9205-9221 (2017) Article DOI: 10.1021/acs.jmedchem.7b01039 BindingDB Entry DOI: 10.7270/Q26D5WF3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50246449 (CHEMBL4073257) Show SMILES Fc1ccc(Oc2ccnc3cc(ccc23)-c2cnn(c2)C2CCNCC2)cc1 Show InChI InChI=1S/C23H21FN4O/c24-18-2-4-20(5-3-18)29-23-9-12-26-22-13-16(1-6-21(22)23)17-14-27-28(15-17)19-7-10-25-11-8-19/h1-6,9,12-15,19,25H,7-8,10-11H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	256	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte...				J Med Chem 60: 9205-9221 (2017) Article DOI: 10.1021/acs.jmedchem.7b01039 BindingDB Entry DOI: 10.7270/Q26D5WF3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50246485 (CHEMBL4091078) Show SMILES C(c1ccccc1)c1ccnc2cc(ccc12)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C24H24N4/c1-2-4-18(5-3-1)14-20-8-13-26-24-15-19(6-7-23(20)24)21-16-27-28(17-21)22-9-11-25-12-10-22/h1-8,13,15-17,22,25H,9-12,14H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	288	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte...				J Med Chem 60: 9205-9221 (2017) Article DOI: 10.1021/acs.jmedchem.7b01039 BindingDB Entry DOI: 10.7270/Q26D5WF3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50246490 (CHEMBL4092349) Show SMILES Fc1cccc(Nc2ccnc3cc(ccc23)-c2cnn(c2)C2CCNCC2)c1 Show InChI InChI=1S/C23H22FN5/c24-18-2-1-3-19(13-18)28-22-8-11-26-23-12-16(4-5-21(22)23)17-14-27-29(15-17)20-6-9-25-10-7-20/h1-5,8,11-15,20,25H,6-7,9-10H2,(H,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	377	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte...				J Med Chem 60: 9205-9221 (2017) Article DOI: 10.1021/acs.jmedchem.7b01039 BindingDB Entry DOI: 10.7270/Q26D5WF3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50246499 (CHEMBL4105497) Show SMILES COc1ccc(Nc2ccnc3cc(ccc23)-c2cnn(c2)C2CCNCC2)cc1 Show InChI InChI=1S/C24H25N5O/c1-30-21-5-3-19(4-6-21)28-23-10-13-26-24-14-17(2-7-22(23)24)18-15-27-29(16-18)20-8-11-25-12-9-20/h2-7,10,13-16,20,25H,8-9,11-12H2,1H3,(H,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte...				J Med Chem 60: 9205-9221 (2017) Article DOI: 10.1021/acs.jmedchem.7b01039 BindingDB Entry DOI: 10.7270/Q26D5WF3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50246514 (CHEMBL4100102) Show SMILES Fc1ccc(Nc2ccnc3cc(ccc23)-c2cnn(c2)C2CCNCC2)cc1 Show InChI InChI=1S/C23H22FN5/c24-18-2-4-19(5-3-18)28-22-9-12-26-23-13-16(1-6-21(22)23)17-14-27-29(15-17)20-7-10-25-11-8-20/h1-6,9,12-15,20,25H,7-8,10-11H2,(H,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte...				J Med Chem 60: 9205-9221 (2017) Article DOI: 10.1021/acs.jmedchem.7b01039 BindingDB Entry DOI: 10.7270/Q26D5WF3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50246544 (CHEMBL4067908) Show SMILES N#Cc1ccc(Nc2ccnc3cc(ccc23)-c2cnn(c2)C2CCNCC2)cc1 Show InChI InChI=1S/C24H22N6/c25-14-17-1-4-20(5-2-17)29-23-9-12-27-24-13-18(3-6-22(23)24)19-15-28-30(16-19)21-7-10-26-11-8-21/h1-6,9,12-13,15-16,21,26H,7-8,10-11H2,(H,27,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte...				J Med Chem 60: 9205-9221 (2017) Article DOI: 10.1021/acs.jmedchem.7b01039 BindingDB Entry DOI: 10.7270/Q26D5WF3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50246510 (CHEMBL4103197) Show SMILES C1CC(CCN1)n1cc(cn1)-c1ccc2c(Nc3ccccc3)ccnc2c1 Show InChI InChI=1S/C23H23N5/c1-2-4-19(5-3-1)27-22-10-13-25-23-14-17(6-7-21(22)23)18-15-26-28(16-18)20-8-11-24-12-9-20/h1-7,10,13-16,20,24H,8-9,11-12H2,(H,25,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte...				J Med Chem 60: 9205-9221 (2017) Article DOI: 10.1021/acs.jmedchem.7b01039 BindingDB Entry DOI: 10.7270/Q26D5WF3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50246513 (CHEMBL4085274) Show SMILES C1CC(CCO1)n1cc(cn1)-c1ccc2c(Nc3ccccc3)ccnc2c1 Show InChI InChI=1S/C23H22N4O/c1-2-4-19(5-3-1)26-22-8-11-24-23-14-17(6-7-21(22)23)18-15-25-27(16-18)20-9-12-28-13-10-20/h1-8,11,14-16,20H,9-10,12-13H2,(H,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte...				J Med Chem 60: 9205-9221 (2017) Article DOI: 10.1021/acs.jmedchem.7b01039 BindingDB Entry DOI: 10.7270/Q26D5WF3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50246546 (CHEMBL4088426) Show SMILES N(c1ccccc1)c1ccnc2cc(ccc12)-c1ccncc1 Show InChI InChI=1S/C20H15N3/c1-2-4-17(5-3-1)23-19-10-13-22-20-14-16(6-7-18(19)20)15-8-11-21-12-9-15/h1-14H,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte...				J Med Chem 60: 9205-9221 (2017) Article DOI: 10.1021/acs.jmedchem.7b01039 BindingDB Entry DOI: 10.7270/Q26D5WF3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50246557 (CHEMBL4079865) Show SMILES Nc1ccc(cn1)-c1ccc2c(Nc3ccccc3)ccnc2c1 Show InChI InChI=1S/C20H16N4/c21-20-9-7-15(13-23-20)14-6-8-17-18(10-11-22-19(17)12-14)24-16-4-2-1-3-5-16/h1-13H,(H2,21,23)(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte...				J Med Chem 60: 9205-9221 (2017) Article DOI: 10.1021/acs.jmedchem.7b01039 BindingDB Entry DOI: 10.7270/Q26D5WF3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50246497 (CHEMBL4067168) Show SMILES N(c1ccccc1)c1ccnc2cc(ccc12)-c1ccccc1 Show InChI InChI=1S/C21H16N2/c1-3-7-16(8-4-1)17-11-12-19-20(13-14-22-21(19)15-17)23-18-9-5-2-6-10-18/h1-15H,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte...				J Med Chem 60: 9205-9221 (2017) Article DOI: 10.1021/acs.jmedchem.7b01039 BindingDB Entry DOI: 10.7270/Q26D5WF3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50246488 (CHEMBL4087745) Show SMILES N(c1ccccc1)c1ccnc2cc(ccc12)-c1cccs1 Show InChI InChI=1S/C19H14N2S/c1-2-5-15(6-3-1)21-17-10-11-20-18-13-14(8-9-16(17)18)19-7-4-12-22-19/h1-13H,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte...				J Med Chem 60: 9205-9221 (2017) Article DOI: 10.1021/acs.jmedchem.7b01039 BindingDB Entry DOI: 10.7270/Q26D5WF3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50246495 (CHEMBL4095442) Show SMILES Cn1cc(cn1)-c1ccc2c(Nc3ccccc3)ccnc2c1 Show InChI InChI=1S/C19H16N4/c1-23-13-15(12-21-23)14-7-8-17-18(9-10-20-19(17)11-14)22-16-5-3-2-4-6-16/h2-13H,1H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte...				J Med Chem 60: 9205-9221 (2017) Article DOI: 10.1021/acs.jmedchem.7b01039 BindingDB Entry DOI: 10.7270/Q26D5WF3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50246472 (CHEMBL4104111) Show SMILES N(c1ccccc1)c1ccnc2cc(ccc12)-c1ccco1 Show InChI InChI=1S/C19H14N2O/c1-2-5-15(6-3-1)21-17-10-11-20-18-13-14(8-9-16(17)18)19-7-4-12-22-19/h1-13H,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte...				J Med Chem 60: 9205-9221 (2017) Article DOI: 10.1021/acs.jmedchem.7b01039 BindingDB Entry DOI: 10.7270/Q26D5WF3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50246512 (CHEMBL4066413) Show SMILES N(c1ccccc1)c1ccnc2cc(ccc12)-c1cn[nH]c1 Show InChI InChI=1S/C18H14N4/c1-2-4-15(5-3-1)22-17-8-9-19-18-10-13(6-7-16(17)18)14-11-20-21-12-14/h1-12H,(H,19,22)(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte...				J Med Chem 60: 9205-9221 (2017) Article DOI: 10.1021/acs.jmedchem.7b01039 BindingDB Entry DOI: 10.7270/Q26D5WF3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50246498 (CHEMBL4075012) Show SMILES CCn1nccc1-c1ccc2c(Nc3ccccc3)ccnc2c1 Show InChI InChI=1S/C20H18N4/c1-2-24-20(11-13-22-24)15-8-9-17-18(10-12-21-19(17)14-15)23-16-6-4-3-5-7-16/h3-14H,2H2,1H3,(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte...				J Med Chem 60: 9205-9221 (2017) Article DOI: 10.1021/acs.jmedchem.7b01039 BindingDB Entry DOI: 10.7270/Q26D5WF3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50246440 (CHEMBL4073635) Show SMILES Brc1ccc2c(Nc3ccccc3)ccnc2c1 Show InChI InChI=1S/C15H11BrN2/c16-11-6-7-13-14(8-9-17-15(13)10-11)18-12-4-2-1-3-5-12/h1-10H,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte...				J Med Chem 60: 9205-9221 (2017) Article DOI: 10.1021/acs.jmedchem.7b01039 BindingDB Entry DOI: 10.7270/Q26D5WF3
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50246487 (CHEMBL1644358) Show SMILES N(c1ccccc1)c1ccnc2ccccc12 Show InChI InChI=1S/C15H12N2/c1-2-6-12(7-3-1)17-15-10-11-16-14-9-5-4-8-13(14)15/h1-11H,(H,16,17)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.47E+5	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of human wild type ALK using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition afte...				J Med Chem 60: 9205-9221 (2017) Article DOI: 10.1021/acs.jmedchem.7b01039 BindingDB Entry DOI: 10.7270/Q26D5WF3
					More data for this Ligand-Target Pair