Compile Data Set for Download or QSAR

Found 87 hits with Last Name = 'anzalone' and Initial = 'av'   

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))	BDBM50385593 (CHEMBL2042694) Show SMILES CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc3N(C)C(=O)CCCc3c2)ncc1Cl Show InChI InChI=1S/C22H23ClN6O3S/c1-24-33(31,32)19-8-4-3-7-17(19)27-21-16(23)13-25-22(28-21)26-15-10-11-18-14(12-15)6-5-9-20(30)29(18)2/h3-4,7-8,10-13,24H,5-6,9H2,1-2H3,(H2,25,26,27,28)	PDB 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
TBA Curated by ChEMBL					Assay Description Inhibition of ALK				ACS Med Chem Lett 1: 493-498 (2010) Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50385602 (CHEMBL2042983) Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2CCCC1=O Show InChI InChI=1S/C26H30ClN5O4S/c1-5-32-21-14-22(36-4)20(13-17(21)9-8-12-24(32)33)30-26-28-15-18(27)25(31-26)29-19-10-6-7-11-23(19)37(34,35)16(2)3/h6-7,10-11,13-16H,5,8-9,12H2,1-4H3,(H2,28,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of ALK				ACS Med Chem Lett 1: 493-498 (2010) Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50385591 (CHEMBL2042981) Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)cc2CCCC1=O Show InChI InChI=1S/C25H29ClN6O4S/c1-5-32-20-14-21(36-4)19(13-16(20)9-8-12-23(32)33)29-25-27-15-17(26)24(30-25)28-18-10-6-7-11-22(18)37(34,35)31(2)3/h6-7,10-11,13-15H,5,8-9,12H2,1-4H3,(H2,27,28,29,30)	PDB 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
TBA Curated by ChEMBL					Assay Description Inhibition of ALK				ACS Med Chem Lett 1: 493-498 (2010) Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50334604 (2-(7-(5-chloro-4-(2-methoxy-4-(2-methoxyethoxy)phe...) Show SMILES COCCOc1ccc(Nc2nc(Nc3cc4CCN(CC(=O)N(C)C)CCc4cc3OC)ncc2Cl)c(OC)c1 Show InChI InChI=1S/C29H37ClN6O5/c1-35(2)27(37)18-36-10-8-19-14-24(25(39-4)15-20(19)9-11-36)33-29-31-17-22(30)28(34-29)32-23-7-6-21(16-26(23)40-5)41-13-12-38-3/h6-7,14-17H,8-13,18H2,1-5H3,(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	4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of ALK				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50334601 (2-(7-(5-chloro-4-(2-methoxyphenylamino)pyrimidin-2...) Show SMILES COc1ccccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl Show InChI InChI=1S/C26H31ClN6O3/c1-32(2)24(34)16-33-11-9-17-13-21(23(36-4)14-18(17)10-12-33)30-26-28-15-19(27)25(31-26)29-20-7-5-6-8-22(20)35-3/h5-8,13-15H,9-12,16H2,1-4H3,(H2,28,29,30,31)	PDB 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
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of ALK				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50334595 (5-chloro-N2,N4-bis(2-methoxy-4-morpholinophenyl)py...) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCOCC2)n1)N1CCOCC1 Show InChI InChI=1S/C26H31ClN6O4/c1-34-23-15-18(32-7-11-36-12-8-32)3-5-21(23)29-25-20(27)17-28-26(31-25)30-22-6-4-19(16-24(22)35-2)33-9-13-37-14-10-33/h3-6,15-17H,7-14H2,1-2H3,(H2,28,29,30,31)	PDB 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
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of ALK				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50334593 (2-(7-(5-chloro-4-(2-methoxy-4-morpholinophenylamin...) Show SMILES COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl)N1CCOCC1 Show InChI InChI=1S/C30H38ClN7O4/c1-36(2)28(39)19-37-9-7-20-15-25(26(40-3)16-21(20)8-10-37)34-30-32-18-23(31)29(35-30)33-24-6-5-22(17-27(24)41-4)38-11-13-42-14-12-38/h5-6,15-18H,7-14,19H2,1-4H3,(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	4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of ALK				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50385601 (CHEMBL2042982) Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)c2CCCC1=O Show InChI InChI=1S/C26H30ClN5O4S/c1-5-32-21-14-13-20(24(36-4)17(21)9-8-12-23(32)33)30-26-28-15-18(27)25(31-26)29-19-10-6-7-11-22(19)37(34,35)16(2)3/h6-7,10-11,13-16H,5,8-9,12H2,1-4H3,(H2,28,29,30,31)	PDB KEGG 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
TBA Curated by ChEMBL					Assay Description Inhibition of ALK				ACS Med Chem Lett 1: 493-498 (2010) Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50334606 (2-(7-(5-chloro-4-(2,4-dimethoxyphenylamino)pyrimid...) Show SMILES COc1ccc(Nc2nc(Nc3cc4CCN(CC(=O)N(C)C)CCc4cc3OC)ncc2Cl)c(OC)c1 Show InChI InChI=1S/C27H33ClN6O4/c1-33(2)25(35)16-34-10-8-17-12-22(23(37-4)13-18(17)9-11-34)31-27-29-15-20(28)26(32-27)30-21-7-6-19(36-3)14-24(21)38-5/h6-7,12-15H,8-11,16H2,1-5H3,(H2,29,30,31,32)	PDB KEGG 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
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of ALK				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50385598 (CHEMBL2042828) Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2CCCC1=O Show InChI InChI=1S/C25H27ClN6O3/c1-4-32-20-13-21(35-3)19(12-15(20)8-7-11-22(32)33)30-25-28-14-17(26)23(31-25)29-18-10-6-5-9-16(18)24(34)27-2/h5-6,9-10,12-14H,4,7-8,11H2,1-3H3,(H,27,34)(H2,28,29,30,31)	PDB KEGG 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
TBA Curated by ChEMBL					Assay Description Inhibition of ALK				ACS Med Chem Lett 1: 493-498 (2010) Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)ncc1Cl Show InChI InChI=1S/C23H25ClN6O3/c1-25-22(31)16-5-3-4-6-18(16)27-21-17(24)14-26-23(29-21)28-19-8-7-15(13-20(19)32-2)30-9-11-33-12-10-30/h3-8,13-14H,9-12H2,1-2H3,(H,25,31)(H2,26,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of ALK				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50334603 (2-(7-(5-chloro-4-(2-methoxy-4-morpholinophenylamin...) Show SMILES CNC(=O)CN1CCc2cc(Nc3ncc(Cl)c(Nc4ccc(cc4OC)N4CCOCC4)n3)c(OC)cc2CC1 Show InChI InChI=1S/C29H36ClN7O4/c1-31-27(38)18-36-8-6-19-14-24(25(39-2)15-20(19)7-9-36)34-29-32-17-22(30)28(35-29)33-23-5-4-21(16-26(23)40-3)37-10-12-41-13-11-37/h4-5,14-17H,6-13,18H2,1-3H3,(H,31,38)(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	6	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of ALK				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50334602 (4-(5-chloro-2-(3-(2-(dimethylamino)-2-oxoethyl)-8-...) Show SMILES COc1cc2CCN(CC(=O)N(C)C)CCc2cc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)C(N)=O)n1 Show InChI InChI=1S/C27H32ClN7O4/c1-34(2)24(36)15-35-9-7-16-11-21(23(39-4)12-17(16)8-10-35)32-27-30-14-19(28)26(33-27)31-20-6-5-18(25(29)37)13-22(20)38-3/h5-6,11-14H,7-10,15H2,1-4H3,(H2,29,37)(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	6	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of ALK				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50334605 (2-(7-(5-chloro-4-(4-cyano-2-methoxyphenylamino)pyr...) Show SMILES COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl)C#N Show InChI InChI=1S/C27H30ClN7O3/c1-34(2)25(36)16-35-9-7-18-12-22(24(38-4)13-19(18)8-10-35)32-27-30-15-20(28)26(33-27)31-21-6-5-17(14-29)11-23(21)37-3/h5-6,11-13,15H,7-10,16H2,1-4H3,(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	7	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of ALK				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50385599 (CHEMBL2042830) Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)cc2CCCC1=O |r,c:21| Show InChI InChI=1S/C25H29ClN6O3/c1-3-32-18-11-19(35-2)17(10-13(18)5-4-6-20(32)33)29-25-28-12-16(26)24(31-25)30-22-15-8-7-14(9-15)21(22)23(27)34/h7-8,10-12,14-15,21-22H,3-6,9H2,1-2H3,(H2,27,34)(H2,28,29,30,31)/t14-,15+,21+,22-/m1/s1	PDB 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
TBA Curated by ChEMBL					Assay Description Inhibition of ALK				ACS Med Chem Lett 1: 493-498 (2010) Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50334597 (5-chloro-N2-(8-methoxy-3-(2-methoxyethyl)-2,3,4,5-...) Show SMILES COCCN1CCc2cc(Nc3ncc(Cl)c(Nc4ccc(cc4OC)N4CCOCC4)n3)c(OC)cc2CC1 Show InChI InChI=1S/C29H37ClN6O4/c1-37-13-10-35-8-6-20-16-25(26(38-2)17-21(20)7-9-35)33-29-31-19-23(30)28(34-29)32-24-5-4-22(18-27(24)39-3)36-11-14-40-15-12-36/h4-5,16-19H,6-15H2,1-3H3,(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	7	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of ALK				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50385600 (CHEMBL2042831) Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)c(OC)c2CCCC1=O Show InChI InChI=1S/C25H29ClN6O4S/c1-5-32-20-14-13-19(23(36-4)16(20)9-8-12-22(32)33)29-25-27-15-17(26)24(30-25)28-18-10-6-7-11-21(18)37(34,35)31(2)3/h6-7,10-11,13-15H,5,8-9,12H2,1-4H3,(H2,27,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
TBA Curated by ChEMBL					Assay Description Inhibition of ALK				ACS Med Chem Lett 1: 493-498 (2010) Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50385593 (CHEMBL2042694) Show SMILES CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc3N(C)C(=O)CCCc3c2)ncc1Cl Show InChI InChI=1S/C22H23ClN6O3S/c1-24-33(31,32)19-8-4-3-7-17(19)27-21-16(23)13-25-22(28-21)26-15-10-11-18-14(12-15)6-5-9-20(30)29(18)2/h3-4,7-8,10-13,24H,5-6,9H2,1-2H3,(H2,25,26,27,28)	PDB MMDB KEGG 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
TBA Curated by ChEMBL					Assay Description Inhibition of insulin receptor				ACS Med Chem Lett 1: 493-498 (2010) Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50334599 (5-chloro-N2-(8-methoxy-3-(2-(methylsulfonyl)ethyl)...) Show SMILES COc1cc2CCN(CCS(C)(=O)=O)CCc2cc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCOCC2)n1 Show InChI InChI=1S/C29H37ClN6O5S/c1-39-26-17-21-7-9-35(12-15-42(3,37)38)8-6-20(21)16-25(26)33-29-31-19-23(30)28(34-29)32-24-5-4-22(18-27(24)40-2)36-10-13-41-14-11-36/h4-5,16-19H,6-15H2,1-3H3,(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	10	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of ALK				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50385597 (CHEMBL2042827) Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)c(OC)c2CCCC1=O Show InChI InChI=1S/C25H27ClN6O3/c1-4-32-20-13-12-19(22(35-3)16(20)9-7-11-21(32)33)30-25-28-14-17(26)23(31-25)29-18-10-6-5-8-15(18)24(34)27-2/h5-6,8,10,12-14H,4,7,9,11H2,1-3H3,(H,27,34)(H2,28,29,30,31)	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
TBA Curated by ChEMBL					Assay Description Inhibition of ALK				ACS Med Chem Lett 1: 493-498 (2010) Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50385602 (CHEMBL2042983) Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2CCCC1=O Show InChI InChI=1S/C26H30ClN5O4S/c1-5-32-21-14-22(36-4)20(13-17(21)9-8-12-24(32)33)30-26-28-15-18(27)25(31-26)29-19-10-6-7-11-23(19)37(34,35)16(2)3/h6-7,10-11,13-16H,5,8-9,12H2,1-4H3,(H2,28,29,30,31)	PDB MMDB 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
TBA Curated by ChEMBL					Assay Description Inhibition of insulin receptor				ACS Med Chem Lett 1: 493-498 (2010) Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50385590 (CHEMBL2042829) Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)c(OC)c2CCCC1=O |r,c:19| Show InChI InChI=1S/C25H29ClN6O3/c1-3-32-18-10-9-17(22(35-2)15(18)5-4-6-19(32)33)29-25-28-12-16(26)24(31-25)30-21-14-8-7-13(11-14)20(21)23(27)34/h7-10,12-14,20-21H,3-6,11H2,1-2H3,(H2,27,34)(H2,28,29,30,31)/t13-,14+,20+,21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of ALK				ACS Med Chem Lett 1: 493-498 (2010) Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50334081 (2-[5-Chloro-2-(1-methyl-2-oxo-2,3,4,5-tetrahydro-1...) Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3N(C)C(=O)CCCc3c2)ncc1Cl Show InChI InChI=1S/C23H23ClN6O2/c1-25-22(32)16-7-3-4-8-18(16)28-21-17(24)13-26-23(29-21)27-15-10-11-19-14(12-15)6-5-9-20(31)30(19)2/h3-4,7-8,10-13H,5-6,9H2,1-2H3,(H,25,32)(H2,26,27,28,29)	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
TBA Curated by ChEMBL					Assay Description Inhibition of ALK				ACS Med Chem Lett 1: 493-498 (2010) Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50385594 (CHEMBL2042695) Show SMILES CN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)cc2CCCC1=O |r,c:18| Show InChI InChI=1S/C23H25ClN6O2/c1-30-17-8-7-15(10-12(17)3-2-4-18(30)31)27-23-26-11-16(24)22(29-23)28-20-14-6-5-13(9-14)19(20)21(25)32/h5-8,10-11,13-14,19-20H,2-4,9H2,1H3,(H2,25,32)(H2,26,27,28,29)/t13-,14+,19+,20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of ALK				ACS Med Chem Lett 1: 493-498 (2010) Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50385593 (CHEMBL2042694) Show SMILES CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc3N(C)C(=O)CCCc3c2)ncc1Cl Show InChI InChI=1S/C22H23ClN6O3S/c1-24-33(31,32)19-8-4-3-7-17(19)27-21-16(23)13-25-22(28-21)26-15-10-11-18-14(12-15)6-5-9-20(30)29(18)2/h3-4,7-8,10-13,24H,5-6,9H2,1-2H3,(H2,25,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
TBA Curated by ChEMBL					Assay Description Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells				ACS Med Chem Lett 1: 493-498 (2010) Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50334081 (2-[5-Chloro-2-(1-methyl-2-oxo-2,3,4,5-tetrahydro-1...) Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3N(C)C(=O)CCCc3c2)ncc1Cl Show InChI InChI=1S/C23H23ClN6O2/c1-25-22(32)16-7-3-4-8-18(16)28-21-17(24)13-26-23(29-21)27-15-10-11-19-14(12-15)6-5-9-20(31)30(19)2/h3-4,7-8,10-13H,5-6,9H2,1-2H3,(H,25,32)(H2,26,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of insulin receptor				ACS Med Chem Lett 1: 493-498 (2010) Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)ncc1Cl Show InChI InChI=1S/C23H25ClN6O3/c1-25-22(31)16-5-3-4-6-18(16)27-21-17(24)14-26-23(29-21)28-19-8-7-15(13-20(19)32-2)30-9-11-33-12-10-30/h3-8,13-14H,9-12H2,1-2H3,(H,25,31)(H2,26,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of insulin receptor				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50385602 (CHEMBL2042983) Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2CCCC1=O Show InChI InChI=1S/C26H30ClN5O4S/c1-5-32-21-14-22(36-4)20(13-17(21)9-8-12-24(32)33)30-26-28-15-18(27)25(31-26)29-19-10-6-7-11-23(19)37(34,35)16(2)3/h6-7,10-11,13-16H,5,8-9,12H2,1-4H3,(H2,28,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells				ACS Med Chem Lett 1: 493-498 (2010) Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50334081 (2-[5-Chloro-2-(1-methyl-2-oxo-2,3,4,5-tetrahydro-1...) Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3N(C)C(=O)CCCc3c2)ncc1Cl Show InChI InChI=1S/C23H23ClN6O2/c1-25-22(32)16-7-3-4-8-18(16)28-21-17(24)13-26-23(29-21)27-15-10-11-19-14(12-15)6-5-9-20(31)30(19)2/h3-4,7-8,10-13H,5-6,9H2,1-2H3,(H,25,32)(H2,26,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells				ACS Med Chem Lett 1: 493-498 (2010) Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50334593 (2-(7-(5-chloro-4-(2-methoxy-4-morpholinophenylamin...) Show SMILES COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl)N1CCOCC1 Show InChI InChI=1S/C30H38ClN7O4/c1-36(2)28(39)19-37-9-7-20-15-25(26(40-3)16-21(20)8-10-37)34-30-32-18-23(31)29(35-30)33-24-6-5-22(17-27(24)41-4)38-11-13-42-14-12-38/h5-6,15-18H,7-14,19H2,1-4H3,(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	30	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of ALK by cell based assay				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50385591 (CHEMBL2042981) Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)cc2CCCC1=O Show InChI InChI=1S/C25H29ClN6O4S/c1-5-32-20-14-21(36-4)19(13-16(20)9-8-12-23(32)33)29-25-27-15-17(26)24(30-25)28-18-10-6-7-11-22(18)37(34,35)31(2)3/h6-7,10-11,13-15H,5,8-9,12H2,1-4H3,(H2,27,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells				ACS Med Chem Lett 1: 493-498 (2010) Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50385601 (CHEMBL2042982) Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)c2CCCC1=O Show InChI InChI=1S/C26H30ClN5O4S/c1-5-32-21-14-13-20(24(36-4)17(21)9-8-12-23(32)33)30-26-28-15-18(27)25(31-26)29-19-10-6-7-11-22(19)37(34,35)16(2)3/h6-7,10-11,13-16H,5,8-9,12H2,1-4H3,(H2,28,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of insulin receptor				ACS Med Chem Lett 1: 493-498 (2010) Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50334596 (7-(5-chloro-4-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccc(cc4OC)N4CCOCC4)n3)c(OC)c2CCCC1=O Show InChI InChI=1S/C28H33ClN6O4/c1-4-35-23-11-10-22(26(38-3)19(23)6-5-7-25(35)36)32-28-30-17-20(29)27(33-28)31-21-9-8-18(16-24(21)37-2)34-12-14-39-15-13-34/h8-11,16-17H,4-7,12-15H2,1-3H3,(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	34	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of ALK				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50385598 (CHEMBL2042828) Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2CCCC1=O Show InChI InChI=1S/C25H27ClN6O3/c1-4-32-20-13-21(35-3)19(12-15(20)8-7-11-22(32)33)30-25-28-14-17(26)23(31-25)29-18-10-6-5-9-16(18)24(34)27-2/h5-6,9-10,12-14H,4,7-8,11H2,1-3H3,(H,27,34)(H2,28,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of insulin receptor				ACS Med Chem Lett 1: 493-498 (2010) Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50385591 (CHEMBL2042981) Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)cc2CCCC1=O Show InChI InChI=1S/C25H29ClN6O4S/c1-5-32-20-14-21(36-4)19(13-16(20)9-8-12-23(32)33)29-25-27-15-17(26)24(30-25)28-18-10-6-7-11-22(18)37(34,35)31(2)3/h6-7,10-11,13-15H,5,8-9,12H2,1-4H3,(H2,27,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of insulin receptor				ACS Med Chem Lett 1: 493-498 (2010) Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50385599 (CHEMBL2042830) Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)cc2CCCC1=O |r,c:21| Show InChI InChI=1S/C25H29ClN6O3/c1-3-32-18-11-19(35-2)17(10-13(18)5-4-6-20(32)33)29-25-28-12-16(26)24(31-25)30-22-15-8-7-14(9-15)21(22)23(27)34/h7-8,10-12,14-15,21-22H,3-6,9H2,1-2H3,(H2,27,34)(H2,28,29,30,31)/t14-,15+,21+,22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells				ACS Med Chem Lett 1: 493-498 (2010) Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50385598 (CHEMBL2042828) Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2CCCC1=O Show InChI InChI=1S/C25H27ClN6O3/c1-4-32-20-13-21(35-3)19(12-15(20)8-7-11-22(32)33)30-25-28-14-17(26)23(31-25)29-18-10-6-5-9-16(18)24(34)27-2/h5-6,9-10,12-14H,4,7-8,11H2,1-3H3,(H,27,34)(H2,28,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells				ACS Med Chem Lett 1: 493-498 (2010) Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50334604 (2-(7-(5-chloro-4-(2-methoxy-4-(2-methoxyethoxy)phe...) Show SMILES COCCOc1ccc(Nc2nc(Nc3cc4CCN(CC(=O)N(C)C)CCc4cc3OC)ncc2Cl)c(OC)c1 Show InChI InChI=1S/C29H37ClN6O5/c1-35(2)27(37)18-36-10-8-19-14-24(25(39-4)15-20(19)9-11-36)33-29-31-17-22(30)28(34-29)32-23-7-6-21(16-26(23)40-5)41-13-12-38-3/h6-7,14-17H,8-13,18H2,1-5H3,(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	40	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of ALK by cell based assay				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50334606 (2-(7-(5-chloro-4-(2,4-dimethoxyphenylamino)pyrimid...) Show SMILES COc1ccc(Nc2nc(Nc3cc4CCN(CC(=O)N(C)C)CCc4cc3OC)ncc2Cl)c(OC)c1 Show InChI InChI=1S/C27H33ClN6O4/c1-33(2)25(35)16-34-10-8-17-12-22(23(37-4)13-18(17)9-11-34)31-27-29-15-20(28)26(32-27)30-21-7-6-19(36-3)14-24(21)38-5/h6-7,12-15H,8-11,16H2,1-5H3,(H2,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of ALK by cell based assay				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50385590 (CHEMBL2042829) Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)c(OC)c2CCCC1=O |r,c:19| Show InChI InChI=1S/C25H29ClN6O3/c1-3-32-18-10-9-17(22(35-2)15(18)5-4-6-19(32)33)29-25-28-12-16(26)24(31-25)30-21-14-8-7-13(11-14)20(21)23(27)34/h7-10,12-14,20-21H,3-6,11H2,1-2H3,(H2,27,34)(H2,28,29,30,31)/t13-,14+,20+,21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells				ACS Med Chem Lett 1: 493-498 (2010) Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50334600 (2-(7-(5-chloro-4-(4-morpholinophenylamino)pyrimidi...) Show SMILES COc1cc2CCN(CC(=O)N(C)C)CCc2cc1Nc1ncc(Cl)c(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C29H36ClN7O3/c1-35(2)27(38)19-36-10-8-20-16-25(26(39-3)17-21(20)9-11-36)33-29-31-18-24(30)28(34-29)32-22-4-6-23(7-5-22)37-12-14-40-15-13-37/h4-7,16-18H,8-15,19H2,1-3H3,(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	49	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of ALK				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50385601 (CHEMBL2042982) Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)c2CCCC1=O Show InChI InChI=1S/C26H30ClN5O4S/c1-5-32-21-14-13-20(24(36-4)17(21)9-8-12-23(32)33)30-26-28-15-18(27)25(31-26)29-19-10-6-7-11-22(19)37(34,35)16(2)3/h6-7,10-11,13-16H,5,8-9,12H2,1-4H3,(H2,28,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
TBA Curated by ChEMBL					Assay Description Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells				ACS Med Chem Lett 1: 493-498 (2010) Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)ncc1Cl Show InChI InChI=1S/C23H25ClN6O3/c1-25-22(31)16-5-3-4-6-18(16)27-21-17(24)14-26-23(29-21)28-19-8-7-15(13-20(19)32-2)30-9-11-33-12-10-30/h3-8,13-14H,9-12H2,1-2H3,(H,25,31)(H2,26,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of ALK by cell based assay				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50334598 (5-chloro-N2-(3-(2,2-difluoroethyl)-8-methoxy-2,3,4...) Show SMILES COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(F)F)CCc3cc2OC)ncc1Cl)N1CCOCC1 Show InChI InChI=1S/C28H33ClF2N6O3/c1-38-24-14-19-6-8-36(17-26(30)31)7-5-18(19)13-23(24)34-28-32-16-21(29)27(35-28)33-22-4-3-20(15-25(22)39-2)37-9-11-40-12-10-37/h3-4,13-16,26H,5-12,17H2,1-2H3,(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	58	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of ALK				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50334601 (2-(7-(5-chloro-4-(2-methoxyphenylamino)pyrimidin-2...) Show SMILES COc1ccccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl Show InChI InChI=1S/C26H31ClN6O3/c1-32(2)24(34)16-33-11-9-17-13-21(23(36-4)14-18(17)10-12-33)30-26-28-15-19(27)25(31-26)29-20-7-5-6-8-22(20)35-3/h5-8,13-15H,9-12,16H2,1-4H3,(H2,28,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of insulin receptor				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50334605 (2-(7-(5-chloro-4-(4-cyano-2-methoxyphenylamino)pyr...) Show SMILES COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl)C#N Show InChI InChI=1S/C27H30ClN7O3/c1-34(2)25(36)16-35-9-7-18-12-22(24(38-4)13-19(18)8-10-35)32-27-30-15-20(28)26(33-27)31-21-6-5-17(14-29)11-23(21)37-3/h5-6,11-13,15H,7-10,16H2,1-4H3,(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	65	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of ALK by cell based assay				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50385600 (CHEMBL2042831) Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)c(OC)c2CCCC1=O Show InChI InChI=1S/C25H29ClN6O4S/c1-5-32-20-14-13-19(23(36-4)16(20)9-8-12-22(32)33)29-25-27-15-17(26)24(30-25)28-18-10-6-7-11-21(18)37(34,35)31(2)3/h6-7,10-11,13-15H,5,8-9,12H2,1-4H3,(H2,27,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells				ACS Med Chem Lett 1: 493-498 (2010) Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50334602 (4-(5-chloro-2-(3-(2-(dimethylamino)-2-oxoethyl)-8-...) Show SMILES COc1cc2CCN(CC(=O)N(C)C)CCc2cc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)C(N)=O)n1 Show InChI InChI=1S/C27H32ClN7O4/c1-34(2)24(36)15-35-9-7-16-11-21(23(39-4)12-17(16)8-10-35)32-27-30-14-19(28)26(33-27)31-20-6-5-18(25(29)37)13-22(20)38-3/h5-6,11-14H,7-10,15H2,1-4H3,(H2,29,37)(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	65	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of ALK by cell based assay				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50334601 (2-(7-(5-chloro-4-(2-methoxyphenylamino)pyrimidin-2...) Show SMILES COc1ccccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl Show InChI InChI=1S/C26H31ClN6O3/c1-32(2)24(34)16-33-11-9-17-13-21(23(36-4)14-18(17)10-12-33)30-26-28-15-19(27)25(31-26)29-20-7-5-6-8-22(20)35-3/h5-8,13-15H,9-12,16H2,1-4H3,(H2,28,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of ALK by cell based assay				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50385600 (CHEMBL2042831) Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)c(OC)c2CCCC1=O Show InChI InChI=1S/C25H29ClN6O4S/c1-5-32-20-14-13-19(23(36-4)16(20)9-8-12-22(32)33)29-25-27-15-17(26)24(30-25)28-18-10-6-7-11-21(18)37(34,35)31(2)3/h6-7,10-11,13-15H,5,8-9,12H2,1-4H3,(H2,27,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of insulin receptor				ACS Med Chem Lett 1: 493-498 (2010) Article DOI: 10.1021/ml100158s BindingDB Entry DOI: 10.7270/Q2NG4RNG
					More data for this Ligand-Target Pair

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