Compile Data Set for Download or QSAR

Found 2116 hits with Last Name = 'fink' and Initial = 'b'   

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
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM412734 (N-(3-fluoropyridin-4-yl)-2-(6-methylpyridin-2-yl)-...) Show SMILES Cc1cccc(n1)-c1nc(Nc2ccncc2F)c2cc[nH]c2n1 Show InChI InChI=1S/C17H13FN6/c1-10-3-2-4-14(21-10)17-23-15-11(5-8-20-15)16(24-17)22-13-6-7-19-9-12(13)18/h2-9H,1H3,(H2,19,20,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase UniChem	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human His-tagged TGFbetaR1 T204D mutant expressed in Sf9 insect cells after 1 hr by HTRF assay				Bioorg Med Chem 26: 1026-1034 (2018) Article DOI: 10.1016/j.bmc.2018.01.014 BindingDB Entry DOI: 10.7270/Q27M0BHV
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50454871 (CHEMBL4209835) Show SMILES Cc1cccc(n1)-c1nc(Nc2ccncc2F)c2nc[nH]c2n1 Show InChI InChI=1S/C16H12FN7/c1-9-3-2-4-12(21-9)14-23-15-13(19-8-20-15)16(24-14)22-11-5-6-18-7-10(11)17/h2-8H,1H3,(H2,18,19,20,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human His-tagged TGFbetaR1 T204D mutant expressed in Sf9 insect cells after 1 hr by HTRF assay				Bioorg Med Chem 26: 1026-1034 (2018) Article DOI: 10.1016/j.bmc.2018.01.014 BindingDB Entry DOI: 10.7270/Q27M0BHV
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM412755 (N-(4-((2-(6-(trifluoromethyl)pyridin-2-yl)-7H-pyrr...) Show SMILES CC(=O)Nc1cc(Nc2nc(nc3[nH]ccc23)-c2cccc(n2)C(F)(F)F)ccn1 Show InChI InChI=1S/C19H14F3N7O/c1-10(30)25-15-9-11(5-7-23-15)26-17-12-6-8-24-16(12)28-18(29-17)13-3-2-4-14(27-13)19(20,21)22/h2-9H,1H3,(H3,23,24,25,26,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human His-tagged TGFbetaR1 T204D mutant expressed in Sf9 insect cells after 1 hr by HTRF assay				Bioorg Med Chem 26: 1026-1034 (2018) Article DOI: 10.1016/j.bmc.2018.01.014 BindingDB Entry DOI: 10.7270/Q27M0BHV
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM412745 (N-(3-fluoropyridin-4-yl)-2-(6-(trifluoromethyl)pyr...) Show SMILES Fc1cnccc1Nc1nc(nc2[nH]ccc12)-c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C17H10F4N6/c18-10-8-22-6-5-11(10)25-15-9-4-7-23-14(9)26-16(27-15)12-2-1-3-13(24-12)17(19,20)21/h1-8H,(H2,22,23,25,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PDB UniChem	PDB Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human His-tagged TGFbetaR1 T204D mutant expressed in Sf9 insect cells after 1 hr by HTRF assay				Bioorg Med Chem 26: 1026-1034 (2018) Article DOI: 10.1016/j.bmc.2018.01.014 BindingDB Entry DOI: 10.7270/Q27M0BHV
					More data for this Ligand-Target Pair				3D Structure (crystal)
17-beta-hydroxysteroid dehydrogenase type 3 (Homo sapiens (Human))	BDBM50179969 (2-(5-acetyl-2-chloro-5,6,11,12-tetrahydro-dibenzo[...) Show SMILES COC(=O)c1ccccc1-c1ccc2CCc3cc(Cl)ccc3N(Cc2c1)C(C)=O Show InChI InChI=1S/C25H22ClNO3/c1-16(28)27-15-20-13-18(22-5-3-4-6-23(22)25(29)30-2)9-7-17(20)8-10-19-14-21(26)11-12-24(19)27/h3-7,9,11-14H,8,10,15H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD3				Bioorg Med Chem Lett 16: 1532-6 (2006) Article DOI: 10.1016/j.bmcl.2005.12.039 BindingDB Entry DOI: 10.7270/Q2CV4HBV
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3 (Homo sapiens (Human))	BDBM50179935 (1-(8-Phenyl-11,12-dihydro-6H-dibenzo[b,f]azocin-5-...) Show SMILES CC(=O)N1Cc2cc(ccc2CCc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C23H21NO/c1-17(25)24-16-22-15-21(18-7-3-2-4-8-18)14-12-19(22)11-13-20-9-5-6-10-23(20)24/h2-10,12,14-15H,11,13,16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD3				Bioorg Med Chem Lett 16: 1532-6 (2006) Article DOI: 10.1016/j.bmcl.2005.12.039 BindingDB Entry DOI: 10.7270/Q2CV4HBV
					More data for this Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3 (Homo sapiens (Human))	BDBM50179960 (1-[8-(2-acetyl-phenyl)-2-chloro-11,12-dihydro-6H-d...) Show SMILES CC(=O)N1Cc2cc(ccc2CCc2cc(Cl)ccc12)-c1ccccc1C(C)=O Show InChI InChI=1S/C25H22ClNO2/c1-16(28)23-5-3-4-6-24(23)19-9-7-18-8-10-20-14-22(26)11-12-25(20)27(17(2)29)15-21(18)13-19/h3-7,9,11-14H,8,10,15H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 17beta-HSD3				Bioorg Med Chem Lett 16: 1532-6 (2006) Article DOI: 10.1016/j.bmcl.2005.12.039 BindingDB Entry DOI: 10.7270/Q2CV4HBV
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM142829 (US8940736, 391) Show SMILES Cc1nc(Nc2nc(Nc3ccc4n(C)nc(C#N)c4c3)nn3c(cnc23)[N+]#[C-])nn1C Show InChI InChI=1S/C19H15N13/c1-10-23-18(28-30(10)3)25-16-17-22-9-15(21-2)32(17)29-19(26-16)24-11-5-6-14-12(7-11)13(8-20)27-31(14)4/h5-7,9H,1,3-4H3,(H2,24,25,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM142775 (US8940736, 7) Show SMILES OC1CCN(C1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N Show InChI InChI=1S/C20H18ClN9O/c21-17-15(5-11(7-22)6-16(17)29-4-3-14(31)10-29)26-20-27-18(25-12-1-2-12)19-24-9-13(8-23)30(19)28-20/h5-6,9,12,14,31H,1-4,10H2,(H2,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM142774 (US8940736, 6) Show SMILES Cn1nc(C#N)c2cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)ccc12 Show InChI InChI=1S/C18H14N10/c1-27-15-5-4-11(6-13(15)14(8-20)25-27)23-18-24-16(22-10-2-3-10)17-21-9-12(7-19)28(17)26-18/h4-6,9-10H,2-3H2,1H3,(H2,22,23,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM142816 (US8940736, 281) Show SMILES COC(=O)N[C@@H]1CCN(C[C@H]1OP(O)(O)=O)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N |r| Show InChI InChI=1S/C23H24ClN10O6P/c1-39-23(35)30-15-4-5-33(11-18(15)40-41(36,37)38)17-7-12(8-25)6-16(19(17)24)29-22-31-20(28-13-2-3-13)21-27-10-14(9-26)34(21)32-22/h6-7,10,13,15,18H,2-5,11H2,1H3,(H,30,35)(H2,36,37,38)(H2,28,29,31,32)/t15-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM142835 (US8940736, 402) Show SMILES OCc1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N Show InChI InChI=1S/C17H13ClN8O/c18-14-10(8-27)3-9(5-19)4-13(14)23-17-24-15(22-11-1-2-11)16-21-7-12(6-20)26(16)25-17/h3-4,7,11,27H,1-2,8H2,(H2,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.110	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM142792 (US8940736, 160) Show SMILES CS(=O)(=O)C1CCN(C1)C1CN(C1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N Show InChI InChI=1S/C24H25ClN10O2S/c1-38(36,37)18-4-5-33(13-18)17-11-34(12-17)20-7-14(8-26)6-19(21(20)25)30-24-31-22(29-15-2-3-15)23-28-10-16(9-27)35(23)32-24/h6-7,10,15,17-18H,2-5,11-13H2,1H3,(H2,29,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.110	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM142777 (US8940736, 49) Show SMILES Clc1c(NN2CCOCC2)cc(cc1Nc1nc(NC2CC2)c2ncc(C#N)n2n1)C#N Show InChI InChI=1S/C20H19ClN10O/c21-17-15(7-12(9-22)8-16(17)28-30-3-5-32-6-4-30)26-20-27-18(25-13-1-2-13)19-24-11-14(10-23)31(19)29-20/h7-8,11,13,28H,1-6H2,(H2,25,26,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.110	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM142829 (US8940736, 391) Show SMILES Cc1nc(Nc2nc(Nc3ccc4n(C)nc(C#N)c4c3)nn3c(cnc23)[N+]#[C-])nn1C Show InChI InChI=1S/C19H15N13/c1-10-23-18(28-30(10)3)25-16-17-22-9-15(21-2)32(17)29-19(26-16)24-11-5-6-14-12(7-11)13(8-20)27-31(14)4/h5-7,9H,1,3-4H3,(H2,24,25,26,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM142822 (US8940736, 328) Show SMILES CCNc1nc(Nc2cc(cc(N3CC[C@H](NC(=O)OC)[C@@H](O)C3)c2Cl)C#N)nn2c(cnc12)[N+]#[C-] |r| Show InChI InChI=1S/C22H23ClN10O3/c1-4-26-19-20-27-10-17(25-2)33(20)31-21(30-19)28-14-7-12(9-24)8-15(18(14)23)32-6-5-13(16(34)11-32)29-22(35)36-3/h7-8,10,13,16,34H,4-6,11H2,1,3H3,(H,29,35)(H2,26,28,30,31)/t13-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM142817 (US8940736, 285) Show SMILES COC(=O)N[C@@H]1CCN(C[C@@H]1F)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N |r| Show InChI InChI=1S/C23H22ClFN10O2/c1-37-23(36)31-16-4-5-34(11-15(16)25)18-7-12(8-26)6-17(19(18)24)30-22-32-20(29-13-2-3-13)21-28-10-14(9-27)35(21)33-22/h6-7,10,13,15-16H,2-5,11H2,1H3,(H,31,36)(H2,29,30,32,33)/t15-,16+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.140	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM142784 (US8940736, 117) Show SMILES Clc1c(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)cc(cc1N1CCC(CC1)NC1CCS(=O)(=O)C1)C#N Show InChI InChI=1S/C25H27ClN10O2S/c26-22-20(32-25-33-23(31-16-1-2-16)24-29-13-19(12-28)36(24)34-25)9-15(11-27)10-21(22)35-6-3-17(4-7-35)30-18-5-8-39(37,38)14-18/h9-10,13,16-18,30H,1-8,14H2,(H2,31,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.150	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM142774 (US8940736, 6) Show SMILES Cn1nc(C#N)c2cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)ccc12 Show InChI InChI=1S/C18H14N10/c1-27-15-5-4-11(6-13(15)14(8-20)25-27)23-18-24-16(22-10-2-3-10)17-21-9-12(7-19)28(17)26-18/h4-6,9-10H,2-3H2,1H3,(H2,22,23,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.150	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM142806 (US8940736, 229) Show SMILES CC(=O)N1CCC(CC1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N Show InChI InChI=1S/C23H22ClN9O/c1-13(34)32-6-4-15(5-7-32)18-8-14(10-25)9-19(20(18)24)29-23-30-21(28-16-2-3-16)22-27-12-17(11-26)33(22)31-23/h8-9,12,15-16H,2-7H2,1H3,(H2,28,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.160	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM142835 (US8940736, 402) Show SMILES OCc1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N Show InChI InChI=1S/C17H13ClN8O/c18-14-10(8-27)3-9(5-19)4-13(14)23-17-24-15(22-11-1-2-11)16-21-7-12(6-20)26(16)25-17/h3-4,7,11,27H,1-2,8H2,(H2,22,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.160	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM142834 (US8940736, 399) Show SMILES Clc1c(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)cc(cc1C=C)C#N Show InChI InChI=1S/C18H13ClN8/c1-2-11-5-10(7-20)6-14(15(11)19)24-18-25-16(23-12-3-4-12)17-22-9-13(8-21)27(17)26-18/h2,5-6,9,12H,1,3-4H2,(H2,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.160	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM142775 (US8940736, 7) Show SMILES OC1CCN(C1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N Show InChI InChI=1S/C20H18ClN9O/c21-17-15(5-11(7-22)6-16(17)29-4-3-14(31)10-29)26-20-27-18(25-12-1-2-12)19-24-9-13(8-23)30(19)28-20/h5-6,9,12,14,31H,1-4,10H2,(H2,25,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.170	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM406730 (N-[4-({2-[6-(difluoromethyl)pyridin-2-yl]pyrrolo[2...) Show SMILES CC(=O)Nc1cc(Nc2nc(nn3cccc23)-c2cccc(n2)C(F)F)ccn1 Show InChI InChI=1S/C19H15F2N7O/c1-11(29)23-16-10-12(7-8-22-16)24-19-15-6-3-9-28(15)27-18(26-19)14-5-2-4-13(25-14)17(20)21/h2-10,17H,1H3,(H2,22,23,24,26,27,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. US Patent					Assay Description Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...				US Patent US10336761 (2019) BindingDB Entry DOI: 10.7270/Q2M90C2R
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM406730 (N-[4-({2-[6-(difluoromethyl)pyridin-2-yl]pyrrolo[2...) Show SMILES CC(=O)Nc1cc(Nc2nc(nn3cccc23)-c2cccc(n2)C(F)F)ccn1 Show InChI InChI=1S/C19H15F2N7O/c1-11(29)23-16-10-12(7-8-22-16)24-19-15-6-3-9-28(15)27-18(26-19)14-5-2-4-13(25-14)17(20)21/h2-10,17H,1H3,(H2,22,23,24,26,27,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. US Patent					Assay Description Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...				US Patent US10336761 (2019) BindingDB Entry DOI: 10.7270/Q2M90C2R
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM142778 (US8940736, 55) Show SMILES Clc1c(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)cc(cc1N1CCN(CC1)C1CCOC1)C#N Show InChI InChI=1S/C24H25ClN10O/c25-21-19(30-24-31-22(29-16-1-2-16)23-28-13-18(12-27)35(23)32-24)9-15(11-26)10-20(21)34-6-4-33(5-7-34)17-3-8-36-14-17/h9-10,13,16-17H,1-8,14H2,(H2,29,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM142793 (US8940736, 161) Show SMILES COC1CCN(C1)C1CN(C1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N Show InChI InChI=1S/C24H25ClN10O/c1-36-18-4-5-33(13-18)17-11-34(12-17)20-7-14(8-26)6-19(21(20)25)30-24-31-22(29-15-2-3-15)23-28-10-16(9-27)35(23)32-24/h6-7,10,15,17-18H,2-5,11-13H2,1H3,(H2,29,30,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.210	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM142832 (US8940736, 395) Show SMILES CCNc1nc(Nc2ccc3n(nc(C#N)c3c2)C2CCN(C[C@@H](C)O)CC2)nn2c(cnc12)C#N |r| Show InChI InChI=1S/C24H27N11O/c1-3-27-22-23-28-13-18(11-25)35(23)32-24(30-22)29-16-4-5-21-19(10-16)20(12-26)31-34(21)17-6-8-33(9-7-17)14-15(2)36/h4-5,10,13,15,17,36H,3,6-9,14H2,1-2H3,(H2,27,29,30,32)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.210	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM142818 (US8940736, 313) Show SMILES FC1CN(CCN(C1)c1cc(cc(Nc2nc(NC3CC3)c3ncc([N+]#[C-])n3n2)c1Cl)C#N)C1COC1 Show InChI InChI=1S/C24H24ClFN10O/c1-28-20-9-29-23-22(30-16-2-3-16)32-24(33-36(20)23)31-18-6-14(8-27)7-19(21(18)25)35-5-4-34(10-15(26)11-35)17-12-37-13-17/h6-7,9,15-17H,2-5,10-13H2,(H2,30,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.210	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM142806 (US8940736, 229) Show SMILES CC(=O)N1CCC(CC1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N Show InChI InChI=1S/C23H22ClN9O/c1-13(34)32-6-4-15(5-7-32)18-8-14(10-25)9-19(20(18)24)29-23-30-21(28-16-2-3-16)22-27-12-17(11-26)33(22)31-23/h8-9,12,15-16H,2-7H2,1H3,(H2,28,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.210	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM142832 (US8940736, 395) Show SMILES CCNc1nc(Nc2ccc3n(nc(C#N)c3c2)C2CCN(C[C@@H](C)O)CC2)nn2c(cnc12)C#N |r| Show InChI InChI=1S/C24H27N11O/c1-3-27-22-23-28-13-18(11-25)35(23)32-24(30-22)29-16-4-5-21-19(10-16)20(12-26)31-34(21)17-6-8-33(9-7-17)14-15(2)36/h4-5,10,13,15,17,36H,3,6-9,14H2,1-2H3,(H2,27,29,30,32)/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.220	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM142784 (US8940736, 117) Show SMILES Clc1c(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)cc(cc1N1CCC(CC1)NC1CCS(=O)(=O)C1)C#N Show InChI InChI=1S/C25H27ClN10O2S/c26-22-20(32-25-33-23(31-16-1-2-16)24-29-13-19(12-28)36(24)34-25)9-15(11-27)10-21(22)35-6-3-17(4-7-35)30-18-5-8-39(37,38)14-18/h9-10,13,16-18,30H,1-8,14H2,(H2,31,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.220	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM142802 (US8940736, 207) Show SMILES CN1CCC(=CC1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N |c:4| Show InChI InChI=1S/C22H20ClN9/c1-31-6-4-14(5-7-31)17-8-13(10-24)9-18(19(17)23)28-22-29-20(27-15-2-3-15)21-26-12-16(11-25)32(21)30-22/h4,8-9,12,15H,2-3,5-7H2,1H3,(H2,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.230	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM142834 (US8940736, 399) Show SMILES Clc1c(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)cc(cc1C=C)C#N Show InChI InChI=1S/C18H13ClN8/c1-2-11-5-10(7-20)6-14(15(11)19)24-18-25-16(23-12-3-4-12)17-22-9-13(8-21)27(17)26-18/h2,5-6,9,12H,1,3-4H2,(H2,23,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.230	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM142836 (US8940736, 408) Show SMILES CCNc1nc(Nc2cc(cc(N3CCN(CC3)C3COC3)c2Cl)C#N)nn2c(cnc12)C#N Show InChI InChI=1S/C22H23ClN10O/c1-2-26-20-21-27-11-15(10-25)33(21)30-22(29-20)28-17-7-14(9-24)8-18(19(17)23)32-5-3-31(4-6-32)16-12-34-13-16/h7-8,11,16H,2-6,12-13H2,1H3,(H2,26,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.230	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM142777 (US8940736, 49) Show SMILES Clc1c(NN2CCOCC2)cc(cc1Nc1nc(NC2CC2)c2ncc(C#N)n2n1)C#N Show InChI InChI=1S/C20H19ClN10O/c21-17-15(7-12(9-22)8-16(17)28-30-3-5-32-6-4-30)26-20-27-18(25-13-1-2-13)19-24-11-14(10-23)31(19)29-20/h7-8,11,13,28H,1-6H2,(H2,25,26,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.230	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM142792 (US8940736, 160) Show SMILES CS(=O)(=O)C1CCN(C1)C1CN(C1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N Show InChI InChI=1S/C24H25ClN10O2S/c1-38(36,37)18-4-5-33(13-18)17-11-34(12-17)20-7-14(8-26)6-19(21(20)25)30-24-31-22(29-15-2-3-15)23-28-10-16(9-27)35(23)32-24/h6-7,10,15,17-18H,2-5,11-13H2,1H3,(H2,29,30,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.240	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM407009 (N-(4-{[5-(morpholin-4-ylmethyl)-2-(pyridin-2-yl)py...) Show SMILES CC(=O)Nc1cc(Nc2nc(nn3ccc(CN4CCOCC4)c23)-c2ccccn2)ccn1 Show InChI InChI=1S/C23H24N8O2/c1-16(32)26-20-14-18(5-8-25-20)27-23-21-17(15-30-10-12-33-13-11-30)6-9-31(21)29-22(28-23)19-4-2-3-7-24-19/h2-9,14H,10-13,15H2,1H3,(H2,25,26,27,28,29,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. US Patent					Assay Description Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...				US Patent US10336761 (2019) BindingDB Entry DOI: 10.7270/Q2M90C2R
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM407012 ((3-{[({4-[(3-fluoropyridin-4-yl)amino]-2-(pyridin-...) Show SMILES OCC1(CNCc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccccn2)COC1 Show InChI InChI=1S/C22H22FN7O2/c23-16-10-24-7-4-17(16)27-21-19-15(9-25-11-22(12-31)13-32-14-22)5-8-30(19)29-20(28-21)18-3-1-2-6-26-18/h1-8,10,25,31H,9,11-14H2,(H,24,27,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.25	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. US Patent					Assay Description Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...				US Patent US10336761 (2019) BindingDB Entry DOI: 10.7270/Q2M90C2R
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM142820 (US8940736, 319) Show SMILES CC(=O)N1CC(C1)N1CCC(CC1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N Show InChI InChI=1S/C26H27ClN10O/c1-15(38)36-13-20(14-36)35-6-4-17(5-7-35)21-8-16(10-28)9-22(23(21)27)32-26-33-24(31-18-2-3-18)25-30-12-19(11-29)37(25)34-26/h8-9,12,17-18,20H,2-7,13-14H2,1H3,(H2,31,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM406793 (N-{5-[(4,4-difluoropiperidin-1-yl)methyl]-2-(6-met...) Show SMILES Cc1cccc(n1)-c1nc(Nc2ccncc2F)c2c(CN3CCC(F)(F)CC3)ccn2n1 Show InChI InChI=1S/C23H22F3N7/c1-15-3-2-4-19(28-15)21-30-22(29-18-5-9-27-13-17(18)24)20-16(6-10-33(20)31-21)14-32-11-7-23(25,26)8-12-32/h2-6,9-10,13H,7-8,11-12,14H2,1H3,(H,27,29,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. US Patent					Assay Description Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...				US Patent US10336761 (2019) BindingDB Entry DOI: 10.7270/Q2M90C2R
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D] (Homo sapiens (Human))	BDBM412735 (2-(6-(difluoromethyl)pyridin-2-yl)-N-(3-fluoropyri...) Show SMILES FC(F)c1cccc(n1)-c1nc(Nc2ccncc2F)c2cc[nH]c2n1 Show InChI InChI=1S/C17H11F3N6/c18-10-8-21-6-5-11(10)24-16-9-4-7-22-15(9)25-17(26-16)13-3-1-2-12(23-13)14(19)20/h1-8,14H,(H2,21,22,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myer Squibb Company US Patent					Assay Description Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...				US Patent US10399987 (2019) BindingDB Entry DOI: 10.7270/Q2222X4N
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM406951 (1-({[2-(5-fluoropyridin-2-yl)-4-[(3-fluoropyridin-...) Show SMILES CC(C)(O)CNCc1ccn2nc(nc(Nc3ccncc3F)c12)-c1ccc(F)cn1 Show InChI InChI=1S/C21H21F2N7O/c1-21(2,31)12-25-9-13-6-8-30-18(13)20(27-16-5-7-24-11-15(16)23)28-19(29-30)17-4-3-14(22)10-26-17/h3-8,10-11,25,31H,9,12H2,1-2H3,(H,24,27,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.25	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. US Patent					Assay Description Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...				US Patent US10336761 (2019) BindingDB Entry DOI: 10.7270/Q2M90C2R
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D] (Homo sapiens (Human))	BDBM412768 (N-(3-fluoropyridin-4-yl)-5-methyl-2-(6-methylpyrid...) Show SMILES Cc1c[nH]c2nc(nc(Nc3ccncc3F)c12)-c1cccc(C)n1 Show InChI InChI=1S/C18H15FN6/c1-10-8-21-17-15(10)18(23-13-6-7-20-9-12(13)19)25-16(24-17)14-5-3-4-11(2)22-14/h3-9H,1-2H3,(H2,20,21,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myer Squibb Company US Patent					Assay Description Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...				US Patent US10399987 (2019) BindingDB Entry DOI: 10.7270/Q2222X4N
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D] (Homo sapiens (Human))	BDBM412743 (N-(3-fluoropyridin-4-yl)-2-(pyridin-2-yl)-7H-pyrro...) Show SMILES Fc1cnccc1Nc1nc(nc2[nH]ccc12)-c1ccccn1 Show InChI InChI=1S/C16H11FN6/c17-11-9-18-7-5-12(11)21-15-10-4-8-20-14(10)22-16(23-15)13-3-1-2-6-19-13/h1-9H,(H2,18,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myer Squibb Company US Patent					Assay Description Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...				US Patent US10399987 (2019) BindingDB Entry DOI: 10.7270/Q2222X4N
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM142799 (US8940736, 179) Show SMILES O[C@@H]1CN(CC[C@H]1NC(=O)OC1COC1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N |r| Show InChI InChI=1S/C25H25ClN10O4/c26-21-18(31-24-33-22(30-14-1-2-14)23-29-9-15(8-28)36(23)34-24)5-13(7-27)6-19(21)35-4-3-17(20(37)10-35)32-25(38)40-16-11-39-12-16/h5-6,9,14,16-17,20,37H,1-4,10-12H2,(H,32,38)(H2,30,31,33,34)/t17-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.260	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha' (Homo sapiens (Human))	BDBM142807 (US8940736, 238) Show SMILES Clc1c(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)cc(cc1C1CCN(CC1)C(=O)OC1COC1)C#N Show InChI InChI=1S/C25H24ClN9O3/c26-21-19(15-3-5-34(6-4-15)25(36)38-18-12-37-13-18)7-14(9-27)8-20(21)31-24-32-22(30-16-1-2-16)23-29-11-17(10-28)35(23)33-24/h7-8,11,15-16,18H,1-6,12-13H2,(H2,30,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.270	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM142794 (US8940736, 163) Show SMILES COC(=O)N[C@@H]1CN(C[C@H]1C)C1CN(C1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N |r| Show InChI InChI=1S/C26H28ClN11O2/c1-14-10-36(13-20(14)33-26(39)40-2)18-11-37(12-18)21-6-15(7-28)5-19(22(21)27)32-25-34-23(31-16-3-4-16)24-30-9-17(8-29)38(24)35-25/h5-6,9,14,16,18,20H,3-4,10-13H2,1-2H3,(H,33,39)(H2,31,32,34,35)/t14-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.270	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM142816 (US8940736, 281) Show SMILES COC(=O)N[C@@H]1CCN(C[C@H]1OP(O)(O)=O)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N |r| Show InChI InChI=1S/C23H24ClN10O6P/c1-39-23(35)30-15-4-5-33(11-18(15)40-41(36,37)38)17-7-12(8-25)6-16(19(17)24)29-22-31-20(28-13-2-3-13)21-27-10-14(9-26)34(21)32-22/h6-7,10,13,15,18H,2-5,11H2,1H3,(H,30,35)(H2,36,37,38)(H2,28,29,31,32)/t15-,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.270	n/a	n/a	n/a	n/a	7.4	30
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...				US Patent US8940736 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K72
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM406957 (3-fluoro-N-(5-{[(1-methylcyclobutyl)amino]methyl}-...) Show SMILES CC1(CNCc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccccn2)CCC1 Show InChI InChI=1S/C23H24FN7/c1-23(8-4-9-23)15-26-13-16-7-12-31-20(16)22(28-18-6-11-25-14-17(18)24)29-21(30-31)19-5-2-3-10-27-19/h2-3,5-7,10-12,14,26H,4,8-9,13,15H2,1H3,(H,25,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. US Patent					Assay Description Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...				US Patent US10336761 (2019) BindingDB Entry DOI: 10.7270/Q2M90C2R
					More data for this Ligand-Target Pair

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