Compile Data Set for Download or QSAR

Found 3720 hits with Last Name = 'wu' and Initial = 'f'   

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))	BDBM196873 (US9212192, 36) Show SMILES COc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)n2ccnc2c1C(N)=O)C(=O)N1CCNCC1 Show InChI InChI=1S/C26H25Cl2N7O3/c1-38-20-13-15(26(37)34-10-7-30-8-11-34)5-6-19(20)32-24-22(23(29)36)25-31-9-12-35(25)21(33-24)14-16-17(27)3-2-4-18(16)28/h2-6,9,12-13,30,32H,7-8,10-11,14H2,1H3,(H2,29,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	-51.4	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196903 (US9212192, 66) Show SMILES CCOC(=O)c1cn2c(Cc3c(Cl)cccc3Cl)nc(Nc3ccc(cc3OC)N3CCNCC3)c(C(N)=O)c2n1 Show InChI InChI=1S/C28H29Cl2N7O4/c1-3-41-28(39)21-15-37-23(14-17-18(29)5-4-6-19(17)30)35-26(24(25(31)38)27(37)34-21)33-20-8-7-16(13-22(20)40-2)36-11-9-32-10-12-36/h4-8,13,15,32-33H,3,9-12,14H2,1-2H3,(H2,31,38)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	-51.4	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196897 (US9212192, 60) Show SMILES NC(=O)c1c(Nc2ccc(cc2Cl)C2CCNCC2)nc(Cc2ccccc2Cl)n2cnnc12 Show InChI InChI=1S/C24H23Cl2N7O/c25-17-4-2-1-3-16(17)12-20-31-23(21(22(27)34)24-32-29-13-33(20)24)30-19-6-5-15(11-18(19)26)14-7-9-28-10-8-14/h1-6,11,13-14,28,30H,7-10,12H2,(H2,27,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	-51.4	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196891 (US9212192, 54) Show SMILES NC(=O)c1c(Nc2ccc(cc2Cl)C2CCNCC2)nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c12 Show InChI InChI=1S/C25H23Cl3N6O/c26-16-2-1-3-17(27)15(16)11-20-22-23(32-12-31-22)21(24(29)35)25(34-20)33-19-5-4-14(10-18(19)28)13-6-8-30-9-7-13/h1-5,10,12-13,30H,6-9,11H2,(H2,29,35)(H,31,32)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	<-51.4	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196890 (US9212192, 53) Show SMILES COc1cc2CCNCc2cc1Nc1nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c2c1C(N)=O Show InChI InChI=1S/C24H22Cl2N6O2/c1-34-19-8-12-5-6-28-10-13(12)7-17(19)31-24-20(23(27)33)22-21(29-11-30-22)18(32-24)9-14-15(25)3-2-4-16(14)26/h2-4,7-8,11,28H,5-6,9-10H2,1H3,(H2,27,33)(H,29,30)(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	-51.4	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196888 (US9212192, 51) Show SMILES Cc1cc(Nc2nc(Cc3c(Cl)cccc3Cl)c3nc[nH]c3c2C(N)=O)c(F)cc1N1CCNCC1 Show InChI InChI=1S/C25H24Cl2FN7O/c1-13-9-18(17(28)11-20(13)35-7-5-30-6-8-35)33-25-21(24(29)36)23-22(31-12-32-23)19(34-25)10-14-15(26)3-2-4-16(14)27/h2-4,9,11-12,30H,5-8,10H2,1H3,(H2,29,36)(H,31,32)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	<-51.4	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196887 (US9212192, 50) Show SMILES NC(=O)c1c(Nc2ccc(cc2Br)N2CCNCC2)nc(Cc2c(Cl)cccc2Cl)n2cnnc12 Show InChI InChI=1S/C23H21BrCl2N8O/c24-15-10-13(33-8-6-28-7-9-33)4-5-18(15)30-22-20(21(27)35)23-32-29-12-34(23)19(31-22)11-14-16(25)2-1-3-17(14)26/h1-5,10,12,28,30H,6-9,11H2,(H2,27,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	<-51.4	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196886 (US9212192, 49) Show SMILES COc1cc(CN2CCCC2)ccc1Nc1nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c2c1C(N)=O Show InChI InChI=1S/C26H26Cl2N6O2/c1-36-21-11-15(13-34-9-2-3-10-34)7-8-19(21)32-26-22(25(29)35)24-23(30-14-31-24)20(33-26)12-16-17(27)5-4-6-18(16)28/h4-8,11,14H,2-3,9-10,12-13H2,1H3,(H2,29,35)(H,30,31)(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	-51.4	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196885 (US9212192, 48) Show SMILES Cc1c(C)c(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c2c1C(N)=O)N1CCNCC1 Show InChI InChI=1S/C26H27Cl2N7O/c1-14-15(2)21(35-10-8-30-9-11-35)7-6-19(14)33-26-22(25(29)36)24-23(31-13-32-24)20(34-26)12-16-17(27)4-3-5-18(16)28/h3-7,13,30H,8-12H2,1-2H3,(H2,29,36)(H,31,32)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	<-51.4	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196881 (US9212192, 44) Show SMILES NC(=O)c1c(Nc2ccc(N3CCNCC3)c(c2)C(F)(F)F)nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c12 Show InChI InChI=1S/C25H22Cl2F3N7O/c26-16-2-1-3-17(27)14(16)11-18-21-22(34-12-33-21)20(23(31)38)24(36-18)35-13-4-5-19(15(10-13)25(28,29)30)37-8-6-32-7-9-37/h1-5,10,12,32H,6-9,11H2,(H2,31,38)(H,33,34)(H,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	<-51.4	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196879 (US9212192, 42) Show SMILES NC(=O)c1c(Nc2ccc(cc2Cl)N2CCNCC2)nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c12 Show InChI InChI=1S/C24H22Cl3N7O/c25-15-2-1-3-16(26)14(15)11-19-21-22(31-12-30-21)20(23(28)35)24(33-19)32-18-5-4-13(10-17(18)27)34-8-6-29-7-9-34/h1-5,10,12,29H,6-9,11H2,(H2,28,35)(H,30,31)(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	<-51.4	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196878 (US9212192, 41) Show SMILES NC(=O)c1c(Nc2cc(F)c(N3CCNCC3)c(F)c2)nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c12 Show InChI InChI=1S/C24H21Cl2F2N7O/c25-14-2-1-3-15(26)13(14)10-18-20-21(32-11-31-20)19(23(29)36)24(34-18)33-12-8-16(27)22(17(28)9-12)35-6-4-30-5-7-35/h1-3,8-9,11,30H,4-7,10H2,(H2,29,36)(H,31,32)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	<-51.4	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196877 (US9212192, 40) Show SMILES NC(=O)c1c(Nc2cc(Cl)c(N3CCNCC3)c(Cl)c2)nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c12 Show InChI InChI=1S/C24H21Cl4N7O/c25-14-2-1-3-15(26)13(14)10-18-20-21(32-11-31-20)19(23(29)36)24(34-18)33-12-8-16(27)22(17(28)9-12)35-6-4-30-5-7-35/h1-3,8-9,11,30H,4-7,10H2,(H2,29,36)(H,31,32)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	<-51.4	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196875 (US9212192, 38) Show SMILES NC(=O)c1c(Nc2ccc(cc2F)N2CCNCC2)nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c12 Show InChI InChI=1S/C24H22Cl2FN7O/c25-15-2-1-3-16(26)14(15)11-19-21-22(31-12-30-21)20(23(28)35)24(33-19)32-18-5-4-13(10-17(18)27)34-8-6-29-7-9-34/h1-5,10,12,29H,6-9,11H2,(H2,28,35)(H,30,31)(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	<-51.4	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196870 (US9212192, 33) Show SMILES COc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)n2ccnc2c1C(N)=O)C(=O)NCCN1CCCCC1 Show InChI InChI=1S/C29H31Cl2N7O3/c1-41-23-16-18(29(40)34-10-14-37-12-3-2-4-13-37)8-9-22(23)35-27-25(26(32)39)28-33-11-15-38(28)24(36-27)17-19-20(30)6-5-7-21(19)31/h5-9,11,15-16,35H,2-4,10,12-14,17H2,1H3,(H2,32,39)(H,34,40)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	-51.4	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196869 (US9212192, 32) Show SMILES COc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)n2ccnc2c1C(N)=O)C(=O)NCCN1CCCC1 Show InChI InChI=1S/C28H29Cl2N7O3/c1-40-22-15-17(28(39)33-9-13-36-11-2-3-12-36)7-8-21(22)34-26-24(25(31)38)27-32-10-14-37(27)23(35-26)16-18-19(29)5-4-6-20(18)30/h4-8,10,14-15,34H,2-3,9,11-13,16H2,1H3,(H2,31,38)(H,33,39)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	-51.4	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196868 (US9212192, 31) Show SMILES COc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c2c1C(N)=O)C(=O)NCCN(C)C Show InChI InChI=1S/C26H27Cl2N7O3/c1-35(2)10-9-30-26(37)14-7-8-18(20(11-14)38-3)33-25-21(24(29)36)23-22(31-13-32-23)19(34-25)12-15-16(27)5-4-6-17(15)28/h4-8,11,13H,9-10,12H2,1-3H3,(H2,29,36)(H,30,37)(H,31,32)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	-51.4	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196866 (US9212192, 29) Show SMILES Cc1cc(Nc2nc(Cc3c(Cl)cccc3Cl)c3nc[nH]c3c2C(N)=O)ccc1N1CCNCC1 Show InChI InChI=1S/C25H25Cl2N7O/c1-14-11-15(5-6-20(14)34-9-7-29-8-10-34)32-25-21(24(28)35)23-22(30-13-31-23)19(33-25)12-16-17(26)3-2-4-18(16)27/h2-6,11,13,29H,7-10,12H2,1H3,(H2,28,35)(H,30,31)(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	<-51.4	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196865 (US9212192, 28) Show SMILES NC(=O)c1c(Nc2ccc(cc2F)N2CCNCC2)nc(Cc2c(Cl)cccc2Cl)n2cnnc12 Show InChI InChI=1S/C23H21Cl2FN8O/c24-15-2-1-3-16(25)14(15)11-19-31-22(20(21(27)35)23-32-29-12-34(19)23)30-18-5-4-13(10-17(18)26)33-8-6-28-7-9-33/h1-5,10,12,28,30H,6-9,11H2,(H2,27,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	<-51.4	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196864 (US9212192, 27) Show SMILES NC(=O)c1c(Nc2ccc(N3CCNCC3)c(Cl)c2)nc(Cc2c(Cl)cccc2Cl)n2cnnc12 Show InChI InChI=1S/C23H21Cl3N8O/c24-15-2-1-3-16(25)14(15)11-19-31-22(20(21(27)35)23-32-29-12-34(19)23)30-13-4-5-18(17(26)10-13)33-8-6-28-7-9-33/h1-5,10,12,28,30H,6-9,11H2,(H2,27,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	<-51.4	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196863 (US9212192, 26) Show SMILES Cc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c2c1C(N)=O)N1CCNCC1 Show InChI InChI=1S/C25H25Cl2N7O/c1-14-11-15(34-9-7-29-8-10-34)5-6-19(14)32-25-21(24(28)35)23-22(30-13-31-23)20(33-25)12-16-17(26)3-2-4-18(16)27/h2-6,11,13,29H,7-10,12H2,1H3,(H2,28,35)(H,30,31)(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	<-51.4	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196862 (US9212192, 25) Show SMILES NC(=O)c1c(Nc2cc(Cl)c(N3CCNCC3)c(Cl)c2)nc(Cc2c(Cl)cccc2Cl)n2cnnc12 Show InChI InChI=1S/C23H20Cl4N8O/c24-14-2-1-3-15(25)13(14)10-18-32-22(19(21(28)36)23-33-30-11-35(18)23)31-12-8-16(26)20(17(27)9-12)34-6-4-29-5-7-34/h1-3,8-9,11,29,31H,4-7,10H2,(H2,28,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	<-51.4	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196857 (US9212192, 20) Show SMILES NC(=O)c1c(Nc2cc(F)c(cc2F)N2CCNCC2)nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c12 Show InChI InChI=1S/C24H21Cl2F2N7O/c25-13-2-1-3-14(26)12(13)8-18-21-22(32-11-31-21)20(23(29)36)24(34-18)33-17-9-16(28)19(10-15(17)27)35-6-4-30-5-7-35/h1-3,9-11,30H,4-8H2,(H2,29,36)(H,31,32)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	<-51.4	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196855 (US9212192, 18) Show SMILES NC(=O)c1c(Nc2ccc(N3CCNCC3)c(Cl)c2)nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c12 Show InChI InChI=1S/C24H22Cl3N7O/c25-15-2-1-3-16(26)14(15)11-18-21-22(31-12-30-21)20(23(28)35)24(33-18)32-13-4-5-19(17(27)10-13)34-8-6-29-7-9-34/h1-5,10,12,29H,6-9,11H2,(H2,28,35)(H,30,31)(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	<-51.4	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196854 (US9212192, 17) Show SMILES Cc1cc(Nc2nc(Cc3c(Cl)cccc3Cl)n3cnnc3c2C(N)=O)ccc1N1CCNCC1 Show InChI InChI=1S/C24H24Cl2N8O/c1-14-11-15(5-6-19(14)33-9-7-28-8-10-33)30-23-21(22(27)35)24-32-29-13-34(24)20(31-23)12-16-17(25)3-2-4-18(16)26/h2-6,11,13,28,30H,7-10,12H2,1H3,(H2,27,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	<-51.4	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196852 (US9212192, 15) Show SMILES NC(=O)c1c(Nc2cc(F)c(cc2F)N2CCNCC2)nc(Cc2c(Cl)cccc2Cl)n2cnnc12 Show InChI InChI=1S/C23H20Cl2F2N8O/c24-13-2-1-3-14(25)12(13)8-19-32-22(20(21(28)36)23-33-30-11-35(19)23)31-17-9-16(27)18(10-15(17)26)34-6-4-29-5-7-34/h1-3,9-11,29,31H,4-8H2,(H2,28,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	<-51.4	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196849 (US9212192, 12) Show SMILES COc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)n2ccnc2c1C(N)=O)C(=O)NCCN(C)C Show InChI InChI=1S/C26H27Cl2N7O3/c1-34(2)11-9-31-26(37)15-7-8-19(20(13-15)38-3)32-24-22(23(29)36)25-30-10-12-35(25)21(33-24)14-16-17(27)5-4-6-18(16)28/h4-8,10,12-13,32H,9,11,14H2,1-3H3,(H2,29,36)(H,31,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	-51.4	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50593636 (CHEMBL5192732) Show SMILES CCNC(=O)C1=CC2C(N1)C(=O)N(C)C=C2c1cc(ccc1Oc1c(C)cc(F)cc1C)S(=O)(=O)CC |c:15,t:5| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01835 BindingDB Entry DOI: 10.7270/Q2V98D2C
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196880 (US9212192, 43) Show SMILES COc1c(F)c(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c2c1C(N)=O)N1CCNCC1 Show InChI InChI=1S/C25H24Cl2FN7O2/c1-37-23-16(5-6-18(20(23)28)35-9-7-30-8-10-35)33-25-19(24(29)36)22-21(31-12-32-22)17(34-25)11-13-14(26)3-2-4-15(13)27/h2-6,12,30H,7-11H2,1H3,(H2,29,36)(H,31,32)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.5	-50.4	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196856 (US9212192, 19) Show SMILES COc1cc(ccc1Nc1nc(Cc2ccccc2Cl)n2ccnc2c1C(N)=O)N1CCNCC1 Show InChI InChI=1S/C25H26ClN7O2/c1-35-20-15-17(32-11-8-28-9-12-32)6-7-19(20)30-24-22(23(27)34)25-29-10-13-33(25)21(31-24)14-16-4-2-3-5-18(16)26/h2-7,10,13,15,28,30H,8-9,11-12,14H2,1H3,(H2,27,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	-49.7	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196899 (US9212192, 62) Show SMILES COc1cc(ccc1Nc1nc(Cc2cccc(Cl)c2Cl)n2cnnc2c1C(N)=O)C1CCNCC1 Show InChI InChI=1S/C25H25Cl2N7O2/c1-36-19-11-15(14-7-9-29-10-8-14)5-6-18(19)31-24-21(23(28)35)25-33-30-13-34(25)20(32-24)12-16-3-2-4-17(26)22(16)27/h2-6,11,13-14,29,31H,7-10,12H2,1H3,(H2,28,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	-49.7	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196884 (US9212192, 47) Show SMILES COc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c2c1C(N)=O)N1CCN2CCCC2C1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	-49.7	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196896 (US9212192, 59) Show SMILES CCc1cn2c(Cc3ccccc3Cl)nc(Nc3ccc(cc3Cl)C3CCNCC3)c(C(N)=O)c2n1 Show InChI InChI=1S/C27H28Cl2N6O/c1-2-19-15-35-23(14-18-5-3-4-6-20(18)28)34-26(24(25(30)36)27(35)32-19)33-22-8-7-17(13-21(22)29)16-9-11-31-12-10-16/h3-8,13,15-16,31,33H,2,9-12,14H2,1H3,(H2,30,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	-49.7	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196894 (US9212192, 57) Show SMILES CCc1nnc2c(C(N)=O)c(Nc3ccc(cc3OC)N3CCNCC3)nc(Cc3c(Cl)cccc3Cl)n12 Show InChI InChI=1S/C26H28Cl2N8O2/c1-3-21-33-34-26-23(24(29)37)25(32-22(36(21)26)14-16-17(27)5-4-6-18(16)28)31-19-8-7-15(13-20(19)38-2)35-11-9-30-10-12-35/h4-8,13,30-31H,3,9-12,14H2,1-2H3,(H2,29,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	-49.7	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196893 (US9212192, 56) Show SMILES COc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)n2c(C)nnc2c1C(N)=O)N1CCNCC1 Show InChI InChI=1S/C25H26Cl2N8O2/c1-14-32-33-25-22(23(28)36)24(31-21(35(14)25)13-16-17(26)4-3-5-18(16)27)30-19-7-6-15(12-20(19)37-2)34-10-8-29-9-11-34/h3-7,12,29-30H,8-11,13H2,1-2H3,(H2,28,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	-49.7	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196892 (US9212192, 55) Show SMILES CCc1nnc2c(C(N)=O)c(Nc3ccc(cc3Cl)C3CCNCC3)nc(Cc3ccccc3Cl)n12 Show InChI InChI=1S/C26H27Cl2N7O/c1-2-21-33-34-26-23(24(29)36)25(32-22(35(21)26)14-17-5-3-4-6-18(17)27)31-20-8-7-16(13-19(20)28)15-9-11-30-12-10-15/h3-8,13,15,30-31H,2,9-12,14H2,1H3,(H2,29,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	-49.7	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196876 (US9212192, 39) Show SMILES COc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c2c1C(N)=O)C(=O)N1CCNCC1 Show InChI InChI=1S/C26H25Cl2N7O3/c1-38-20-11-14(26(37)35-9-7-30-8-10-35)5-6-18(20)33-25-21(24(29)36)23-22(31-13-32-23)19(34-25)12-15-16(27)3-2-4-17(15)28/h2-6,11,13,30H,7-10,12H2,1H3,(H2,29,36)(H,31,32)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	-49.7	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196871 (US9212192, 34) Show SMILES COc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)n2ccnc2c1C(N)=O)C(=O)NCCCCN(C)C Show InChI InChI=1S/C28H31Cl2N7O3/c1-36(2)13-5-4-11-33-28(39)17-9-10-21(22(15-17)40-3)34-26-24(25(31)38)27-32-12-14-37(27)23(35-26)16-18-19(29)7-6-8-20(18)30/h6-10,12,14-15,34H,4-5,11,13,16H2,1-3H3,(H2,31,38)(H,33,39)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	-48.6	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196882 (US9212192, 45) Show SMILES NC(=O)c1c(Nc2ccc(cc2OC(F)(F)F)N2CCNCC2)nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c12 Show InChI InChI=1S/C25H22Cl2F3N7O2/c26-15-2-1-3-16(27)14(15)11-18-21-22(34-12-33-21)20(23(31)38)24(36-18)35-17-5-4-13(37-8-6-32-7-9-37)10-19(17)39-25(28,29)30/h1-5,10,12,32H,6-9,11H2,(H2,31,38)(H,33,34)(H,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	-47.9	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196874 (US9212192, 37) Show SMILES COc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c2c1C(N)=O)C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C27H27Cl2N7O3/c1-35-8-10-36(11-9-35)27(38)15-6-7-19(21(12-15)39-2)33-26-22(25(30)37)24-23(31-14-32-24)20(34-26)13-16-17(28)4-3-5-18(16)29/h3-7,12,14H,8-11,13H2,1-2H3,(H2,30,37)(H,31,32)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	-47.9	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196872 (US9212192, 35) Show SMILES COc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)n2ccnc2c1C(N)=O)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C29H31Cl2N7O4/c1-41-23-16-18(29(40)34-8-3-10-37-12-14-42-15-13-37)6-7-22(23)35-27-25(26(32)39)28-33-9-11-38(28)24(36-27)17-19-20(30)4-2-5-21(19)31/h2,4-7,9,11,16,35H,3,8,10,12-15,17H2,1H3,(H2,32,39)(H,34,40)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	-47.9	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196847 (US9212192, 10) Show SMILES COc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)n2ccnc2c1C(N)=O)C(=O)N1CCOCC1 Show InChI InChI=1S/C26H24Cl2N6O4/c1-37-20-13-15(26(36)33-9-11-38-12-10-33)5-6-19(20)31-24-22(23(29)35)25-30-7-8-34(25)21(32-24)14-16-17(27)3-2-4-18(16)28/h2-8,13,31H,9-12,14H2,1H3,(H2,29,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5	-47.4	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196860 (US9212192, 23) Show SMILES COc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)n2ccnc2c1C(N)=O)C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C27H27Cl2N7O3/c1-34-10-12-35(13-11-34)27(38)16-6-7-20(21(14-16)39-2)32-25-23(24(30)37)26-31-8-9-36(26)22(33-25)15-17-18(28)4-3-5-19(17)29/h3-9,14,32H,10-13,15H2,1-2H3,(H2,30,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5	-47.4	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM14028 ((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...) Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r| Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	DrugBank PDB Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human ROCK1 by homogenous luciferase assay				J Med Chem 53: 759-77 (2010) Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD
					More data for this Ligand-Target Pair				3D Structure (crystal)
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196901 (US9212192, 64) Show SMILES COc1cc(ccc1Nc1nc(Cc2cccc(F)c2F)n2cnnc2c1C(N)=O)C1CCNCC1 Show InChI InChI=1S/C25H25F2N7O2/c1-36-19-11-15(14-7-9-29-10-8-14)5-6-18(19)31-24-21(23(28)35)25-33-30-13-34(25)20(32-24)12-16-3-2-4-17(26)22(16)27/h2-6,11,13-14,29,31H,7-10,12H2,1H3,(H2,28,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	-46.9	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196861 (US9212192, 24) Show SMILES COc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)n2ccnc2c1C(N)=O)C(=O)NCCN1CCN(C)CC1 Show InChI InChI=1S/C29H32Cl2N8O3/c1-37-12-14-38(15-13-37)10-8-34-29(41)18-6-7-22(23(16-18)42-2)35-27-25(26(32)40)28-33-9-11-39(28)24(36-27)17-19-20(30)4-3-5-21(19)31/h3-7,9,11,16,35H,8,10,12-15,17H2,1-2H3,(H2,32,40)(H,34,41)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7	-46.5	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196900 (US9212192, 63) Show SMILES COc1cc(ccc1Nc1nc(Cc2ccccc2F)n2cnnc2c1C(N)=O)C1CCNCC1 Show InChI InChI=1S/C25H26FN7O2/c1-35-20-12-16(15-8-10-28-11-9-15)6-7-19(20)30-24-22(23(27)34)25-32-29-14-33(25)21(31-24)13-17-4-2-3-5-18(17)26/h2-7,12,14-15,28,30H,8-11,13H2,1H3,(H2,27,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8	-46.2	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196859 (US9212192, 22) Show SMILES NC(=O)c1c(Nc2ccc(cc2C(F)(F)F)N2CCNCC2)nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c12 Show InChI InChI=1S/C25H22Cl2F3N7O/c26-16-2-1-3-17(27)14(16)11-19-21-22(34-12-33-21)20(23(31)38)24(36-19)35-18-5-4-13(10-15(18)25(28,29)30)37-8-6-32-7-9-37/h1-5,10,12,32H,6-9,11H2,(H2,31,38)(H,33,34)(H,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8	-46.2	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196898 (US9212192, 61) Show SMILES CCc1nnc2c(C(N)=O)c(Nc3ccc(cc3OC)N3CCNCC3)nc(Cc3ccccc3Cl)n12 Show InChI InChI=1S/C26H29ClN8O2/c1-3-21-32-33-26-23(24(28)36)25(31-22(35(21)26)14-16-6-4-5-7-18(16)27)30-19-9-8-17(15-20(19)37-2)34-12-10-29-11-13-34/h4-9,15,29-30H,3,10-14H2,1-2H3,(H2,28,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11	-45.4	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM196853 (US9212192, 16) Show SMILES NC(=O)c1c(Nc2c(F)cc(cc2F)N2CCNCC2)nc(Cc2c(Cl)cccc2Cl)n2cnnc12 Show InChI InChI=1S/C23H20Cl2F2N8O/c24-14-2-1-3-15(25)13(14)10-18-31-22(19(21(28)36)23-33-30-11-35(18)23)32-20-16(26)8-12(9-17(20)27)34-6-4-29-5-7-34/h1-3,8-9,11,29,32H,4-7,10H2,(H2,28,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13	-45.0	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
					More data for this Ligand-Target Pair

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