Compile Data Set for Download or QSAR

Found 28 hits of ic50 data for polymerid = 5926   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Breakpoint cluster region protein [1-693] (Homo sapiens (Human))	BDBM50086441 (CHEMBL3426225 | US10266537, Compound 3) Show SMILES CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C30H31F3N8O/c1-4-41-28-26(27(34)35-18-36-28)25(38-41)10-8-20-15-21(6-5-19(20)2)29(42)37-23-9-7-22(24(16-23)30(31,32)33)17-40-13-11-39(3)12-14-40/h5-7,9,15-16,18H,4,11-14,17H2,1-3H3,(H,37,42)(H2,34,35,36)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc.					Assay Description The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...				Bioorg Med Chem Lett 17: 3562-9 (2007) BindingDB Entry DOI: 10.7270/Q21C2065
					More data for this Ligand-Target Pair
Breakpoint cluster region protein [1-693] (Homo sapiens (Human))	BDBM111473 (4-Methyl-N-(4-(2-morpholinoethoxy) phenyl)-3-(4-(p...) Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1ccc(OCCCN2CCOCC2)cc1 Show InChI InChI=1S/C30H32N6O3/c1-22-5-6-23(20-28(22)35-30-32-13-11-27(34-30)24-4-2-12-31-21-24)29(37)33-25-7-9-26(10-8-25)39-17-3-14-36-15-18-38-19-16-36/h2,4-13,20-21H,3,14-19H2,1H3,(H,33,37)(H,32,34,35)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China					Assay Description ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...				Chem Biol Drug Des 83: 592-9 (2014) Article DOI: 10.1111/cbdd.12272 BindingDB Entry DOI: 10.7270/Q2GX497N
					More data for this Ligand-Target Pair
Breakpoint cluster region protein [1-693] (Homo sapiens (Human))	BDBM111449 (4-Methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino)-...) Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H18F3N5O/c1-15-7-8-16(22(33)30-19-6-2-5-18(13-19)24(25,26)27)12-21(15)32-23-29-11-9-20(31-23)17-4-3-10-28-14-17/h2-14H,1H3,(H,30,33)(H,29,31,32)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China					Assay Description ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...				Chem Biol Drug Des 83: 592-9 (2014) Article DOI: 10.1111/cbdd.12272 BindingDB Entry DOI: 10.7270/Q2GX497N
					More data for this Ligand-Target Pair
Breakpoint cluster region protein [1-693] (Homo sapiens (Human))	BDBM111466 (4-Methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino)-...) Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)NCc1ncccn1 Show InChI InChI=1S/C22H19N7O/c1-15-5-6-16(21(30)27-14-20-24-9-3-10-25-20)12-19(15)29-22-26-11-7-18(28-22)17-4-2-8-23-13-17/h2-13H,14H2,1H3,(H,27,30)(H,26,28,29)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China					Assay Description ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...				Chem Biol Drug Des 83: 592-9 (2014) Article DOI: 10.1111/cbdd.12272 BindingDB Entry DOI: 10.7270/Q2GX497N
					More data for this Ligand-Target Pair
Breakpoint cluster region protein [1-693] (Homo sapiens (Human))	BDBM50237710 (4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...) Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	214	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China					Assay Description ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...				Chem Biol Drug Des 83: 592-9 (2014) Article DOI: 10.1111/cbdd.12272 BindingDB Entry DOI: 10.7270/Q2GX497N
					More data for this Ligand-Target Pair
Breakpoint cluster region protein [1-693] (Homo sapiens (Human))	BDBM111456 (N-(3-bromo-5-(trifluoromethyl) phenyl)-4-methyl-3-...) Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1cc(Br)cc(c1)C(F)(F)F Show InChI InChI=1S/C24H17BrF3N5O/c1-14-4-5-15(22(34)31-19-11-17(24(26,27)28)10-18(25)12-19)9-21(14)33-23-30-8-6-20(32-23)16-3-2-7-29-13-16/h2-13H,1H3,(H,31,34)(H,30,32,33)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD 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
Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China					Assay Description ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...				Chem Biol Drug Des 83: 592-9 (2014) Article DOI: 10.1111/cbdd.12272 BindingDB Entry DOI: 10.7270/Q2GX497N
					More data for this Ligand-Target Pair
Breakpoint cluster region protein [1-693] (Homo sapiens (Human))	BDBM111455 (N-(3,5-bis(trifluoromethyl) phenyl)-4-methyl-3-(4-...) Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C25H17F6N5O/c1-14-4-5-15(9-21(14)36-23-33-8-6-20(35-23)16-3-2-7-32-13-16)22(37)34-19-11-17(24(26,27)28)10-18(12-19)25(29,30)31/h2-13H,1H3,(H,34,37)(H,33,35,36)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	259	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China					Assay Description ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...				Chem Biol Drug Des 83: 592-9 (2014) Article DOI: 10.1111/cbdd.12272 BindingDB Entry DOI: 10.7270/Q2GX497N
					More data for this Ligand-Target Pair
Breakpoint cluster region protein [1-693] (Homo sapiens (Human))	BDBM111465 (N-(5-chloropyridin-2-yl)-4-methyl-3-(4-(pyridin-3-...) Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)NCc1ccc(Cl)cn1 Show InChI InChI=1S/C23H19ClN6O/c1-15-4-5-16(22(31)28-14-19-7-6-18(24)13-27-19)11-21(15)30-23-26-10-8-20(29-23)17-3-2-9-25-12-17/h2-13H,14H2,1H3,(H,28,31)(H,26,29,30)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	305	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China					Assay Description ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...				Chem Biol Drug Des 83: 592-9 (2014) Article DOI: 10.1111/cbdd.12272 BindingDB Entry DOI: 10.7270/Q2GX497N
					More data for this Ligand-Target Pair
Breakpoint cluster region protein [1-693] (Homo sapiens (Human))	BDBM111452 (N-(4-bromophenyl)-4-methyl-3-(4-(pyridin-3-yl) pyr...) Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1ccc(Br)cc1 Show InChI InChI=1S/C23H18BrN5O/c1-15-4-5-16(22(30)27-19-8-6-18(24)7-9-19)13-21(15)29-23-26-12-10-20(28-23)17-3-2-11-25-14-17/h2-14H,1H3,(H,27,30)(H,26,28,29)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	483	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China					Assay Description ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...				Chem Biol Drug Des 83: 592-9 (2014) Article DOI: 10.1111/cbdd.12272 BindingDB Entry DOI: 10.7270/Q2GX497N
					More data for this Ligand-Target Pair
Breakpoint cluster region protein [1-693] (Homo sapiens (Human))	BDBM111460 (N-(3-acetylphenyl)-4-methyl-3-(4-(pyridin-3-yl) py...) Show SMILES COCc1cccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1 Show InChI InChI=1S/C25H23N5O2/c1-17-8-9-19(24(31)28-21-7-3-5-18(13-21)16-32-2)14-23(17)30-25-27-12-10-22(29-25)20-6-4-11-26-15-20/h3-15H,16H2,1-2H3,(H,28,31)(H,27,29,30)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	542	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China					Assay Description ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...				Chem Biol Drug Des 83: 592-9 (2014) Article DOI: 10.1111/cbdd.12272 BindingDB Entry DOI: 10.7270/Q2GX497N
					More data for this Ligand-Target Pair
Breakpoint cluster region protein [1-693] (Homo sapiens (Human))	BDBM111453 (N-(2-fluorophenyl)-4-methyl-3-(4-(pyridin-3-yl) py...) Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1ccccc1F Show InChI InChI=1S/C23H18FN5O/c1-15-8-9-16(22(30)27-20-7-3-2-6-18(20)24)13-21(15)29-23-26-12-10-19(28-23)17-5-4-11-25-14-17/h2-14H,1H3,(H,27,30)(H,26,28,29)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	569	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China					Assay Description ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...				Chem Biol Drug Des 83: 592-9 (2014) Article DOI: 10.1111/cbdd.12272 BindingDB Entry DOI: 10.7270/Q2GX497N
					More data for this Ligand-Target Pair
Breakpoint cluster region protein [1-693] (Homo sapiens (Human))	BDBM111451 (N-(4-methoxyphenyl)-4-methyl-3-(4-(pyridin-3-yl) p...) Show SMILES COc1ccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc1 Show InChI InChI=1S/C24H21N5O2/c1-16-5-6-17(23(30)27-19-7-9-20(31-2)10-8-19)14-22(16)29-24-26-13-11-21(28-24)18-4-3-12-25-15-18/h3-15H,1-2H3,(H,27,30)(H,26,28,29)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	924	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China					Assay Description ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...				Chem Biol Drug Des 83: 592-9 (2014) Article DOI: 10.1111/cbdd.12272 BindingDB Entry DOI: 10.7270/Q2GX497N
					More data for this Ligand-Target Pair
Breakpoint cluster region protein [1-693] (Homo sapiens (Human))	BDBM111459 (N-(2, 6-dimethylphenyl)-4-methyl-3-(4-(pyridin-3-y...) Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1c(C)cccc1C Show InChI InChI=1S/C25H23N5O/c1-16-9-10-19(24(31)30-23-17(2)6-4-7-18(23)3)14-22(16)29-25-27-13-11-21(28-25)20-8-5-12-26-15-20/h4-15H,1-3H3,(H,30,31)(H,27,28,29)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	956	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China					Assay Description ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...				Chem Biol Drug Des 83: 592-9 (2014) Article DOI: 10.1111/cbdd.12272 BindingDB Entry DOI: 10.7270/Q2GX497N
					More data for this Ligand-Target Pair
Breakpoint cluster region protein [1-693] (Homo sapiens (Human))	BDBM111454 (N-(3-fluorophenyl)-4-methyl-3-(4-(pyridin-3-yl) py...) Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1cccc(F)c1 Show InChI InChI=1S/C23H18FN5O/c1-15-7-8-16(22(30)27-19-6-2-5-18(24)13-19)12-21(15)29-23-26-11-9-20(28-23)17-4-3-10-25-14-17/h2-14H,1H3,(H,27,30)(H,26,28,29)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China					Assay Description ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...				Chem Biol Drug Des 83: 592-9 (2014) Article DOI: 10.1111/cbdd.12272 BindingDB Entry DOI: 10.7270/Q2GX497N
					More data for this Ligand-Target Pair
Breakpoint cluster region protein [1-693] (Homo sapiens (Human))	BDBM111457 (4-Methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino)-...) Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc1 Show InChI InChI=1S/C24H21N5O/c1-16-5-9-20(10-6-16)27-23(30)18-8-7-17(2)22(14-18)29-24-26-13-11-21(28-24)19-4-3-12-25-15-19/h3-15H,1-2H3,(H,27,30)(H,26,28,29)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China					Assay Description ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...				Chem Biol Drug Des 83: 592-9 (2014) Article DOI: 10.1111/cbdd.12272 BindingDB Entry DOI: 10.7270/Q2GX497N
					More data for this Ligand-Target Pair
Breakpoint cluster region protein [1-693] (Homo sapiens (Human))	BDBM111450 (N-(3, 4-dichlorophenyl)-4-methyl-3-(4-(pyridin-3-y...) Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C23H17Cl2N5O/c1-14-4-5-15(22(31)28-17-6-7-18(24)19(25)12-17)11-21(14)30-23-27-10-8-20(29-23)16-3-2-9-26-13-16/h2-13H,1H3,(H,28,31)(H,27,29,30)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China					Assay Description ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...				Chem Biol Drug Des 83: 592-9 (2014) Article DOI: 10.1111/cbdd.12272 BindingDB Entry DOI: 10.7270/Q2GX497N
					More data for this Ligand-Target Pair
Breakpoint cluster region protein [1-693] (Homo sapiens (Human))	BDBM111462 (4-Methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino)-...) Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)NCc1ccncc1 Show InChI InChI=1S/C23H20N6O/c1-16-4-5-18(22(30)27-14-17-6-10-24-11-7-17)13-21(16)29-23-26-12-8-20(28-23)19-3-2-9-25-15-19/h2-13,15H,14H2,1H3,(H,27,30)(H,26,28,29)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China					Assay Description ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...				Chem Biol Drug Des 83: 592-9 (2014) Article DOI: 10.1111/cbdd.12272 BindingDB Entry DOI: 10.7270/Q2GX497N
					More data for this Ligand-Target Pair
Breakpoint cluster region protein [1-693] (Homo sapiens (Human))	BDBM111464 (4-Methyl-N-(pyridin-2-yl)-3-(4-(pyridin-3-yl) pyri...) Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)NCc1ccccn1 Show InChI InChI=1S/C23H20N6O/c1-16-7-8-17(22(30)27-15-19-6-2-3-11-25-19)13-21(16)29-23-26-12-9-20(28-23)18-5-4-10-24-14-18/h2-14H,15H2,1H3,(H,27,30)(H,26,28,29)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China					Assay Description ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...				Chem Biol Drug Des 83: 592-9 (2014) Article DOI: 10.1111/cbdd.12272 BindingDB Entry DOI: 10.7270/Q2GX497N
					More data for this Ligand-Target Pair
Breakpoint cluster region protein [1-693] (Homo sapiens (Human))	BDBM111467 (4-Methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino)-...) Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)NCc1nccs1 Show InChI InChI=1S/C21H18N6OS/c1-14-4-5-15(20(28)25-13-19-23-9-10-29-19)11-18(14)27-21-24-8-6-17(26-21)16-3-2-7-22-12-16/h2-12H,13H2,1H3,(H,25,28)(H,24,26,27)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China					Assay Description ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...				Chem Biol Drug Des 83: 592-9 (2014) Article DOI: 10.1111/cbdd.12272 BindingDB Entry DOI: 10.7270/Q2GX497N
					More data for this Ligand-Target Pair
Breakpoint cluster region protein [1-693] (Homo sapiens (Human))	BDBM111463 (4-Methyl-N-(pyridin-3-yl)-3-(4-(pyridin-3-yl) pyri...) Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)NCc1cccnc1 Show InChI InChI=1S/C23H20N6O/c1-16-6-7-18(22(30)27-14-17-4-2-9-24-13-17)12-21(16)29-23-26-11-8-20(28-23)19-5-3-10-25-15-19/h2-13,15H,14H2,1H3,(H,27,30)(H,26,28,29)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China					Assay Description ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...				Chem Biol Drug Des 83: 592-9 (2014) Article DOI: 10.1111/cbdd.12272 BindingDB Entry DOI: 10.7270/Q2GX497N
					More data for this Ligand-Target Pair
Breakpoint cluster region protein [1-693] (Homo sapiens (Human))	BDBM111461 (N-(3-methoxyphenyl)-4-methyl-3-(4-(pyridin-3-yl) p...) Show SMILES COc1cccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1 Show InChI InChI=1S/C24H21N5O2/c1-16-8-9-17(23(30)27-19-6-3-7-20(14-19)31-2)13-22(16)29-24-26-12-10-21(28-24)18-5-4-11-25-15-18/h3-15H,1-2H3,(H,27,30)(H,26,28,29)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China					Assay Description ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...				Chem Biol Drug Des 83: 592-9 (2014) Article DOI: 10.1111/cbdd.12272 BindingDB Entry DOI: 10.7270/Q2GX497N
					More data for this Ligand-Target Pair
Breakpoint cluster region protein [1-693] (Homo sapiens (Human))	BDBM111448 (N-(3-chloro-4-fluorophenyl)-4-methyl-3-(4-(pyridin...) Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1ccc(F)c(Cl)c1 Show InChI InChI=1S/C23H17ClFN5O/c1-14-4-5-15(22(31)28-17-6-7-19(25)18(24)12-17)11-21(14)30-23-27-10-8-20(29-23)16-3-2-9-26-13-16/h2-13H,1H3,(H,28,31)(H,27,29,30)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China					Assay Description ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...				Chem Biol Drug Des 83: 592-9 (2014) Article DOI: 10.1111/cbdd.12272 BindingDB Entry DOI: 10.7270/Q2GX497N
					More data for this Ligand-Target Pair
Breakpoint cluster region protein [1-693] (Homo sapiens (Human))	BDBM111468 (N-(4-(3-(dimethylamino)propoxy) phenyl)-4-methyl- ...) Show SMILES CN(C)CCCOc1ccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc1 Show InChI InChI=1S/C28H30N6O2/c1-20-7-8-21(27(35)31-23-9-11-24(12-10-23)36-17-5-16-34(2)3)18-26(20)33-28-30-15-13-25(32-28)22-6-4-14-29-19-22/h4,6-15,18-19H,5,16-17H2,1-3H3,(H,31,35)(H,30,32,33)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China					Assay Description ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...				Chem Biol Drug Des 83: 592-9 (2014) Article DOI: 10.1111/cbdd.12272 BindingDB Entry DOI: 10.7270/Q2GX497N
					More data for this Ligand-Target Pair
Breakpoint cluster region protein [1-693] (Homo sapiens (Human))	BDBM111469 (N-(4-(2-(dimethylamino)ethoxy)phenyl)-4-methyl-3-(...) Show SMILES CN(C)CCCCOc1ccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc1 Show InChI InChI=1S/C29H32N6O2/c1-21-8-9-22(19-27(21)34-29-31-16-14-26(33-29)23-7-6-15-30-20-23)28(36)32-24-10-12-25(13-11-24)37-18-5-4-17-35(2)3/h6-16,19-20H,4-5,17-18H2,1-3H3,(H,32,36)(H,31,33,34)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China					Assay Description ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...				Chem Biol Drug Des 83: 592-9 (2014) Article DOI: 10.1111/cbdd.12272 BindingDB Entry DOI: 10.7270/Q2GX497N
					More data for this Ligand-Target Pair
Breakpoint cluster region protein [1-693] (Homo sapiens (Human))	BDBM111471 (4-Methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino)-...) Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1ccc(OCCCN2CCCC2)cc1 Show InChI InChI=1S/C30H32N6O2/c1-22-7-8-23(20-28(22)35-30-32-15-13-27(34-30)24-6-4-14-31-21-24)29(37)33-25-9-11-26(12-10-25)38-19-5-18-36-16-2-3-17-36/h4,6-15,20-21H,2-3,5,16-19H2,1H3,(H,33,37)(H,32,34,35)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China					Assay Description ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...				Chem Biol Drug Des 83: 592-9 (2014) Article DOI: 10.1111/cbdd.12272 BindingDB Entry DOI: 10.7270/Q2GX497N
					More data for this Ligand-Target Pair
Breakpoint cluster region protein [1-693] (Homo sapiens (Human))	BDBM111474 (4-Methyl-N-(4-(3-morpholinopropoxy) phenyl)-3-(4-(...) Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1ccc(OCCCCN2CCOCC2)cc1 Show InChI InChI=1S/C31H34N6O3/c1-23-6-7-24(21-29(23)36-31-33-14-12-28(35-31)25-5-4-13-32-22-25)30(38)34-26-8-10-27(11-9-26)40-18-3-2-15-37-16-19-39-20-17-37/h4-14,21-22H,2-3,15-20H2,1H3,(H,34,38)(H,33,35,36)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China					Assay Description ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...				Chem Biol Drug Des 83: 592-9 (2014) Article DOI: 10.1111/cbdd.12272 BindingDB Entry DOI: 10.7270/Q2GX497N
					More data for this Ligand-Target Pair
Breakpoint cluster region protein [1-693] (Homo sapiens (Human))	BDBM111470 (N-(4-(2-(diethylamino)ethoxy)phenyl)-4-methyl-3-(4...) Show SMILES CCN(CC)CCCOc1ccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc1 Show InChI InChI=1S/C30H34N6O2/c1-4-36(5-2)18-7-19-38-26-13-11-25(12-14-26)33-29(37)23-10-9-22(3)28(20-23)35-30-32-17-15-27(34-30)24-8-6-16-31-21-24/h6,8-17,20-21H,4-5,7,18-19H2,1-3H3,(H,33,37)(H,32,34,35)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China					Assay Description ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...				Chem Biol Drug Des 83: 592-9 (2014) Article DOI: 10.1111/cbdd.12272 BindingDB Entry DOI: 10.7270/Q2GX497N
					More data for this Ligand-Target Pair
Breakpoint cluster region protein [1-693] (Homo sapiens (Human))	BDBM111472 (4-Methyl-N-(4-(2-(piperidin-1-yl) ethoxy) phenyl)-...) Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1ccc(OCCCN2CCCCC2)cc1 Show InChI InChI=1S/C31H34N6O2/c1-23-8-9-24(21-29(23)36-31-33-16-14-28(35-31)25-7-5-15-32-22-25)30(38)34-26-10-12-27(13-11-26)39-20-6-19-37-17-3-2-4-18-37/h5,7-16,21-22H,2-4,6,17-20H2,1H3,(H,34,38)(H,33,35,36)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China					Assay Description ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...				Chem Biol Drug Des 83: 592-9 (2014) Article DOI: 10.1111/cbdd.12272 BindingDB Entry DOI: 10.7270/Q2GX497N
					More data for this Ligand-Target Pair