Compile Data Set for Download or QSAR

Found 23 hits of ec50 data for polymerid = 733   

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
TGF-beta receptor type-1 [4-503,T204D] (Homo sapiens (Human))	BDBM21513 (7-[3-(1-methylpyrrolidin-2-yl)propoxy]-4-[2-(pyrid...) Show SMILES CN1CCCC1CCCOc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1 |(-11.3,-.52,;-10.43,-1.79,;-10.96,-3.24,;-9.74,-4.19,;-8.46,-3.32,;-8.89,-1.84,;-7.56,-1.07,;-7.56,.47,;-6.23,1.24,;-6.23,2.78,;-4.89,3.55,;-4.89,5.09,;-3.56,5.86,;-2.22,5.09,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,)| Show InChI InChI=1S/C28H31N5O/c1-32-16-4-7-20(32)8-6-18-34-21-11-12-22-23(13-15-30-25(22)19-21)27-26-10-5-17-33(26)31-28(27)24-9-2-3-14-29-24/h2-3,9,11-15,19-20H,4-8,10,16-18H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	17	n/a	n/a	7.5	30
Lilly Research Laboratories					Assay Description The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...				J Med Chem 51: 2302-2306 (2008) Article DOI: 10.1021/jm701199p BindingDB Entry DOI: 10.7270/Q2G15Z4K
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D] (Homo sapiens (Human))	BDBM21510 (Dihydropyrrolopyrazole, 16a | dimethyl[5-({4-[2-(p...) Show SMILES CN(C)CCCCCOc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1 |(-4.89,-5.69,;-4.89,-4.15,;-3.56,-3.38,;-6.23,-3.38,;-6.23,-1.84,;-7.56,-1.07,;-7.56,.47,;-6.23,1.24,;-6.23,2.78,;-4.89,3.55,;-4.89,5.09,;-3.56,5.86,;-2.22,5.09,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,)| Show InChI InChI=1S/C27H31N5O/c1-31(2)16-6-3-7-18-33-20-11-12-21-22(13-15-29-24(21)19-20)26-25-10-8-17-32(25)30-27(26)23-9-4-5-14-28-23/h4-5,9,11-15,19H,3,6-8,10,16-18H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	24	n/a	n/a	7.5	30
Lilly Research Laboratories					Assay Description The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...				J Med Chem 51: 2302-2306 (2008) Article DOI: 10.1021/jm701199p BindingDB Entry DOI: 10.7270/Q2G15Z4K
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D] (Homo sapiens (Human))	BDBM21506 (Dihydropyrrolopyrazole, 15a | dimethyl[2-({4-[2-(p...) Show SMILES CN(C)CCOc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1 |(-8.89,-1.84,;-7.56,-1.07,;-6.23,-1.84,;-7.56,.47,;-6.23,1.24,;-6.23,2.78,;-4.89,3.55,;-4.89,5.09,;-3.56,5.86,;-2.22,5.09,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,)| Show InChI InChI=1S/C24H25N5O/c1-28(2)14-15-30-17-8-9-18-19(10-12-26-21(18)16-17)23-22-7-5-13-29(22)27-24(23)20-6-3-4-11-25-20/h3-4,6,8-12,16H,5,7,13-15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	29	n/a	n/a	7.5	30
Lilly Research Laboratories					Assay Description The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...				J Med Chem 51: 2302-2306 (2008) Article DOI: 10.1021/jm701199p BindingDB Entry DOI: 10.7270/Q2G15Z4K
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D] (Homo sapiens (Human))	BDBM21508 (7-[2-(4-methylpiperazin-1-yl)ethoxy]-4-[2-(pyridin...) Show SMILES CN1CCN(CCOc2ccc3c(ccnc3c2)-c2c3CCCn3nc2-c2ccccn2)CC1 |(-7.56,-5.69,;-7.56,-4.15,;-8.89,-3.38,;-8.89,-1.84,;-7.56,-1.07,;-7.56,.47,;-6.23,1.24,;-6.23,2.78,;-4.89,3.55,;-4.89,5.09,;-3.56,5.86,;-2.22,5.09,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,;-6.23,-1.84,;-6.23,-3.38,)| Show InChI InChI=1S/C27H30N6O/c1-31-13-15-32(16-14-31)17-18-34-20-7-8-21-22(9-11-29-24(21)19-20)26-25-6-4-12-33(25)30-27(26)23-5-2-3-10-28-23/h2-3,5,7-11,19H,4,6,12-18H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	38	n/a	n/a	7.5	30
Lilly Research Laboratories					Assay Description The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...				J Med Chem 51: 2302-2306 (2008) Article DOI: 10.1021/jm701199p BindingDB Entry DOI: 10.7270/Q2G15Z4K
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D] (Homo sapiens (Human))	BDBM21492 (4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...) Show SMILES c1[nH]nc(c1-c1ccnc2ccccc12)-c1ccccn1 Show InChI InChI=1S/C17H12N4/c1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-11H,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	59	n/a	40	n/a	n/a	7.5	30
Lilly Research Laboratories					Assay Description The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...				J Med Chem 51: 2302-2306 (2008) Article DOI: 10.1021/jm701199p BindingDB Entry DOI: 10.7270/Q2G15Z4K
					More data for this Ligand-Target Pair				3D Structure (crystal)
TGF-beta receptor type-1 [4-503,T204D] (Homo sapiens (Human))	BDBM21504 (7-[3-(4-methylpiperazin-1-yl)propoxy]-4-[2-(pyridi...) Show SMILES CN1CCN(CCCOc2ccc3c(ccnc3c2)-c2c3CCCn3nc2-c2ccccn2)CC1 |(-12.89,-4.15,;-11.56,-3.38,;-11.56,-1.84,;-10.23,-1.07,;-8.89,-1.84,;-7.56,-1.07,;-7.56,.47,;-6.23,1.24,;-6.23,2.78,;-4.89,3.55,;-4.89,5.09,;-3.56,5.86,;-2.22,5.09,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,;-8.89,-3.38,;-10.23,-4.15,)| Show InChI InChI=1S/C28H32N6O/c1-32-15-17-33(18-16-32)13-5-19-35-21-8-9-22-23(10-12-30-25(22)20-21)27-26-7-4-14-34(26)31-28(27)24-6-2-3-11-29-24/h2-3,6,8-12,20H,4-5,7,13-19H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	44	n/a	n/a	7.5	30
Lilly Research Laboratories					Assay Description The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...				J Med Chem 51: 2302-2306 (2008) Article DOI: 10.1021/jm701199p BindingDB Entry DOI: 10.7270/Q2G15Z4K
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D] (Homo sapiens (Human))	BDBM21496 (6-bromo-4-[2-(6-methylpyridin-2-yl)-4H,5H,6H-pyrro...) Show SMILES Cc1cccc(n1)-c1nn2CCCc2c1-c1ccnc2ccc(Br)cc12 |(5.84,8,;4.51,7.21,;4.53,5.67,;3.21,4.89,;1.86,5.64,;1.84,7.18,;3.17,7.97,;.53,7.99,;.41,9.52,;-1.09,9.88,;-2.09,11.05,;-3.51,10.46,;-3.39,8.93,;-1.89,8.57,;-.89,7.4,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-4.89,3.55,;-4.89,5.09,;-6.23,5.86,;-3.56,5.86,;-2.22,5.09,)| Show InChI InChI=1S/C21H17BrN4/c1-13-4-2-5-18(24-13)21-20(19-6-3-11-26(19)25-21)15-9-10-23-17-8-7-14(22)12-16(15)17/h2,4-5,7-10,12H,3,6,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	89	n/a	55	n/a	n/a	7.5	30
Lilly Research Laboratories					Assay Description The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...				J Med Chem 51: 2302-2306 (2008) Article DOI: 10.1021/jm701199p BindingDB Entry DOI: 10.7270/Q2G15Z4K
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D] (Homo sapiens (Human))	BDBM21507 (Dihydropyrrolopyrazole, 15b | ethyl(methyl)[2-({4-...) Show SMILES CCN(C)CCOc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1 |(-8.89,-3.38,;-8.89,-1.84,;-7.56,-1.07,;-6.23,-1.84,;-7.56,.47,;-6.23,1.24,;-6.23,2.78,;-4.89,3.55,;-4.89,5.09,;-3.56,5.86,;-2.22,5.09,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,)| Show InChI InChI=1S/C25H27N5O/c1-3-29(2)15-16-31-18-9-10-19-20(11-13-27-22(19)17-18)24-23-8-6-14-30(23)28-25(24)21-7-4-5-12-26-21/h4-5,7,9-13,17H,3,6,8,14-16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	61	n/a	n/a	7.5	30
Lilly Research Laboratories					Assay Description The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...				J Med Chem 51: 2302-2306 (2008) Article DOI: 10.1021/jm701199p BindingDB Entry DOI: 10.7270/Q2G15Z4K
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D] (Homo sapiens (Human))	BDBM21505 (7-(2-chloroethoxy)-4-[2-(pyridin-2-yl)-4H,5H,6H-py...) Show SMILES ClCCOc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1 |(-7.56,-1.07,;-7.56,.47,;-6.23,1.24,;-6.23,2.78,;-4.89,3.55,;-4.89,5.09,;-3.56,5.86,;-2.22,5.09,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,)| Show InChI InChI=1S/C22H19ClN4O/c23-9-13-28-15-6-7-16-17(8-11-25-19(16)14-15)21-20-5-3-12-27(20)26-22(21)18-4-1-2-10-24-18/h1-2,4,6-8,10-11,14H,3,5,9,12-13H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	66	n/a	n/a	7.5	30
Lilly Research Laboratories					Assay Description The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...				J Med Chem 51: 2302-2306 (2008) Article DOI: 10.1021/jm701199p BindingDB Entry DOI: 10.7270/Q2G15Z4K
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D] (Homo sapiens (Human))	BDBM21512 (7-(oxolan-2-ylmethoxy)-4-[2-(pyridin-2-yl)-4H,5H,6...) Show SMILES C(Oc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1)C1CCCO1 |(-6.23,1.24,;-6.23,2.78,;-4.89,3.55,;-4.89,5.09,;-3.56,5.86,;-2.22,5.09,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,;-7.56,.47,;-7.43,-1.07,;-8.85,-1.67,;-9.86,-.5,;-9.06,.82,)| Show InChI InChI=1S/C25H24N4O2/c1-2-11-26-21(6-1)25-24(23-7-3-13-29(23)28-25)20-10-12-27-22-15-17(8-9-19(20)22)31-16-18-5-4-14-30-18/h1-2,6,8-12,15,18H,3-5,7,13-14,16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	80	n/a	n/a	7.5	30
Lilly Research Laboratories					Assay Description The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...				J Med Chem 51: 2302-2306 (2008) Article DOI: 10.1021/jm701199p BindingDB Entry DOI: 10.7270/Q2G15Z4K
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D] (Homo sapiens (Human))	BDBM21509 (4-[2-({4-[2-(pyridin-2-yl)-4H,5H,6H-pyrrolo[1,2-a]...) Show SMILES C(CN1CCOCC1)Oc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1 |(-6.23,1.24,;-7.56,.47,;-7.56,-1.07,;-8.89,-1.84,;-8.89,-3.38,;-7.56,-4.15,;-6.23,-3.38,;-6.23,-1.84,;-6.23,2.78,;-4.89,3.55,;-4.89,5.09,;-3.56,5.86,;-2.22,5.09,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,)| Show InChI InChI=1S/C26H27N5O2/c1-2-9-27-22(4-1)26-25(24-5-3-11-31(24)29-26)21-8-10-28-23-18-19(6-7-20(21)23)33-17-14-30-12-15-32-16-13-30/h1-2,4,6-10,18H,3,5,11-17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	69	n/a	180	n/a	n/a	7.5	30
Lilly Research Laboratories					Assay Description The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...				J Med Chem 51: 2302-2306 (2008) Article DOI: 10.1021/jm701199p BindingDB Entry DOI: 10.7270/Q2G15Z4K
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D] (Homo sapiens (Human))	BDBM21503 (4-[2-(pyridin-2-yl)-4H,5H,6H-pyrrolo[1,2-a]pyrazol...) Show SMILES Oc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1 |(-6.23,2.78,;-4.89,3.55,;-4.89,5.09,;-3.56,5.86,;-2.22,5.09,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,)| Show InChI InChI=1S/C20H16N4O/c25-13-6-7-14-15(8-10-22-17(14)12-13)19-18-5-3-11-24(18)23-20(19)16-4-1-2-9-21-16/h1-2,4,6-10,12,25H,3,5,11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	200	n/a	n/a	7.5	30
Lilly Research Laboratories					Assay Description The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...				J Med Chem 51: 2302-2306 (2008) Article DOI: 10.1021/jm701199p BindingDB Entry DOI: 10.7270/Q2G15Z4K
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D] (Homo sapiens (Human))	BDBM21497 (4-[2-(6-methylpyridin-2-yl)-4H,5H,6H-pyrrolo[1,2-a...) Show SMILES Cc1cccc(n1)-c1nn2CCCc2c1-c1ccnc2ccc(OC(F)(F)F)cc12 |(5.84,8,;4.51,7.21,;4.53,5.67,;3.21,4.89,;1.86,5.64,;1.84,7.18,;3.17,7.97,;.53,7.99,;.41,9.52,;-1.09,9.88,;-2.09,11.05,;-3.51,10.46,;-3.39,8.93,;-1.89,8.57,;-.89,7.4,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-4.89,3.55,;-4.89,5.09,;-6.23,5.86,;-7.56,5.09,;-8.89,5.86,;-8.89,4.32,;-7.56,3.55,;-3.56,5.86,;-2.22,5.09,)| Show InChI InChI=1S/C22H17F3N4O/c1-13-4-2-5-18(27-13)21-20(19-6-3-11-29(19)28-21)15-9-10-26-17-8-7-14(12-16(15)17)30-22(23,24)25/h2,4-5,7-10,12H,3,6,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	141	n/a	201	n/a	n/a	7.5	30
Lilly Research Laboratories					Assay Description The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...				J Med Chem 51: 2302-2306 (2008) Article DOI: 10.1021/jm701199p BindingDB Entry DOI: 10.7270/Q2G15Z4K
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D] (Homo sapiens (Human))	BDBM21511 (1-(4-methylpiperazin-1-yl)-2-({4-[2-(pyridin-2-yl)...) Show SMILES CN1CCN(CC1)C(=O)COc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1 |(-7.56,-5.69,;-7.56,-4.15,;-8.89,-3.38,;-8.89,-1.84,;-7.56,-1.07,;-6.23,-1.84,;-6.23,-3.38,;-7.56,.47,;-8.89,1.24,;-6.23,1.24,;-6.23,2.78,;-4.89,3.55,;-4.89,5.09,;-3.56,5.86,;-2.22,5.09,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,)| Show InChI InChI=1S/C27H28N6O2/c1-31-13-15-32(16-14-31)25(34)18-35-19-7-8-20-21(9-11-29-23(20)17-19)26-24-6-4-12-33(24)30-27(26)22-5-2-3-10-28-22/h2-3,5,7-11,17H,4,6,12-16,18H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	49	n/a	260	n/a	n/a	7.5	30
Lilly Research Laboratories					Assay Description The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...				J Med Chem 51: 2302-2306 (2008) Article DOI: 10.1021/jm701199p BindingDB Entry DOI: 10.7270/Q2G15Z4K
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D] (Homo sapiens (Human))	BDBM21498 (Dihydropyrrolopyrazole, 8 | methyl 4-[2-(6-methylp...) Show SMILES COC(=O)c1ccc2nccc(-c3c4CCCn4nc3-c3cccc(C)n3)c2c1 |(-7.96,3.6,;-7.56,5.09,;-6.23,5.86,;-6.23,7.4,;-4.89,5.09,;-4.89,3.55,;-3.56,2.78,;-2.22,3.55,;-.89,2.78,;.44,3.55,;.44,5.09,;-.89,5.86,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;5.84,8,;3.17,7.97,;-2.22,5.09,;-3.56,5.86,)| Show InChI InChI=1S/C23H20N4O2/c1-14-5-3-6-19(25-14)22-21(20-7-4-12-27(20)26-22)16-10-11-24-18-9-8-15(13-17(16)18)23(28)29-2/h3,5-6,8-11,13H,4,7,12H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	526	n/a	403	n/a	n/a	7.5	30
Lilly Research Laboratories					Assay Description The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...				J Med Chem 51: 2302-2306 (2008) Article DOI: 10.1021/jm701199p BindingDB Entry DOI: 10.7270/Q2G15Z4K
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D] (Homo sapiens (Human))	BDBM21499 (Dihydropyrrolopyrazole, 9 | N-[2-(dimethylamino)et...) Show SMILES CN(C)CCNC(=O)c1ccc2nccc(-c3c4CCCn4nc3-c3cccc(C)n3)c2c1 |(-12.89,5.09,;-11.56,5.86,;-11.56,7.4,;-10.23,5.09,;-8.89,5.86,;-7.56,5.09,;-6.23,5.86,;-6.23,7.4,;-4.89,5.09,;-4.89,3.55,;-3.56,2.78,;-2.22,3.55,;-.89,2.78,;.44,3.55,;.44,5.09,;-.89,5.86,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;5.84,8,;3.17,7.97,;-2.22,5.09,;-3.56,5.86,)| Show InChI InChI=1S/C26H28N6O/c1-17-6-4-7-22(29-17)25-24(23-8-5-14-32(23)30-25)19-11-12-27-21-10-9-18(16-20(19)21)26(33)28-13-15-31(2)3/h4,6-7,9-12,16H,5,8,13-15H2,1-3H3,(H,28,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	193	n/a	468	n/a	n/a	7.5	30
Lilly Research Laboratories					Assay Description The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...				J Med Chem 51: 2302-2306 (2008) Article DOI: 10.1021/jm701199p BindingDB Entry DOI: 10.7270/Q2G15Z4K
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D] (Homo sapiens (Human))	BDBM21495 (8-fluoro-4-[2-(6-methylpyridin-2-yl)-4H,5H,6H-pyrr...) Show SMILES Cc1cccc(n1)-c1nn2CCCc2c1-c1ccnc2c(F)cccc12 |(5.84,8,;4.51,7.21,;4.53,5.67,;3.21,4.89,;1.86,5.64,;1.84,7.18,;3.17,7.97,;.53,7.99,;.41,9.52,;-1.09,9.88,;-2.09,11.05,;-3.51,10.46,;-3.39,8.93,;-1.89,8.57,;-.89,7.4,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-3.56,1.24,;-4.89,3.55,;-4.89,5.09,;-3.56,5.86,;-2.22,5.09,)| Show InChI InChI=1S/C21H17FN4/c1-13-5-2-8-17(24-13)21-19(18-9-4-12-26(18)25-21)14-10-11-23-20-15(14)6-3-7-16(20)22/h2-3,5-8,10-11H,4,9,12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	928	n/a	951	n/a	n/a	7.5	30
Lilly Research Laboratories					Assay Description The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...				J Med Chem 51: 2302-2306 (2008) Article DOI: 10.1021/jm701199p BindingDB Entry DOI: 10.7270/Q2G15Z4K
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D] (Homo sapiens (Human))	BDBM21494 (6,8-dimethoxy-4-[2-(6-methylpyridin-2-yl)-4H,5H,6H...) Show SMILES COc1cc(OC)c2nccc(-c3c4CCCn4nc3-c3cccc(C)n3)c2c1 |(-7.56,5.09,;-6.23,5.86,;-4.89,5.09,;-4.89,3.55,;-3.56,2.78,;-3.56,1.24,;-2.22,.47,;-2.22,3.55,;-.89,2.78,;.44,3.55,;.44,5.09,;-.89,5.86,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;5.84,8,;3.17,7.97,;-2.22,5.09,;-3.56,5.86,)| Show InChI InChI=1S/C23H22N4O2/c1-14-6-4-7-18(25-14)23-21(19-8-5-11-27(19)26-23)16-9-10-24-22-17(16)12-15(28-2)13-20(22)29-3/h4,6-7,9-10,12-13H,5,8,11H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.81E+3	n/a	7.20E+3	n/a	n/a	7.5	30
Lilly Research Laboratories					Assay Description The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...				J Med Chem 51: 2302-2306 (2008) Article DOI: 10.1021/jm701199p BindingDB Entry DOI: 10.7270/Q2G15Z4K
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D] (Homo sapiens (Human))	BDBM21517 (Dihydropyrrolopyrazole, 22 | N,N-dimethyl-4-({4-[2...) Show SMILES CN(C)C(=O)c1ccc(Oc2ccc3c(ccnc3c2)-c2c3CCCn3nc2-c2ccccn2)cc1 |(-14.23,5.86,;-12.89,5.09,;-12.89,3.55,;-11.56,5.86,;-11.56,7.4,;-10.23,5.09,;-10.23,3.55,;-8.89,2.78,;-7.56,3.55,;-6.23,2.78,;-4.89,3.55,;-4.89,5.09,;-3.56,5.86,;-2.22,5.09,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,;-7.56,5.09,;-8.89,5.86,)| Show InChI InChI=1S/C29H25N5O2/c1-33(2)29(35)19-8-10-20(11-9-19)36-21-12-13-22-23(14-16-31-25(22)18-21)27-26-7-5-17-34(26)32-28(27)24-6-3-4-15-30-24/h3-4,6,8-16,18H,5,7,17H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	1.50E+4	n/a	n/a	7.5	30
Lilly Research Laboratories					Assay Description The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...				J Med Chem 51: 2302-2306 (2008) Article DOI: 10.1021/jm701199p BindingDB Entry DOI: 10.7270/Q2G15Z4K
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D] (Homo sapiens (Human))	BDBM21516 (4-({4-[2-(pyridin-2-yl)-4H,5H,6H-pyrrolo[1,2-a]pyr...) Show SMILES OC(=O)c1ccc(Oc2ccc3c(ccnc3c2)-c2c3CCCn3nc2-c2ccccn2)cc1 |(-12.89,5.09,;-11.56,5.86,;-11.56,7.4,;-10.23,5.09,;-10.23,3.55,;-8.89,2.78,;-7.56,3.55,;-6.23,2.78,;-4.89,3.55,;-4.89,5.09,;-3.56,5.86,;-2.22,5.09,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,;-7.56,5.09,;-8.89,5.86,)| Show InChI InChI=1S/C27H20N4O3/c32-27(33)17-6-8-18(9-7-17)34-19-10-11-20-21(12-14-29-23(20)16-19)25-24-5-3-15-31(24)30-26(25)22-4-1-2-13-28-22/h1-2,4,6-14,16H,3,5,15H2,(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	>2.00E+4	n/a	n/a	7.5	30
Lilly Research Laboratories					Assay Description The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...				J Med Chem 51: 2302-2306 (2008) Article DOI: 10.1021/jm701199p BindingDB Entry DOI: 10.7270/Q2G15Z4K
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D] (Homo sapiens (Human))	BDBM21502 (4-[2-(pyridin-2-yl)-4H,5H,6H-pyrrolo[1,2-a]pyrazol...) Show SMILES C1CCN(C1)c1cc(-c2c3CCCn3nc2-c2ccccn2)c2ccccc2n1 |(3.16,.7,;4.11,1.91,;3.26,3.19,;1.78,2.78,;1.71,1.24,;.44,3.55,;.44,5.09,;-.89,5.86,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,;-2.22,5.09,;-3.56,5.86,;-4.89,5.09,;-4.89,3.55,;-3.56,2.78,;-2.22,3.55,;-.89,2.78,)| Show InChI InChI=1S/C24H23N5/c1-2-9-19-17(8-1)18(16-22(26-19)28-13-5-6-14-28)23-21-11-7-15-29(21)27-24(23)20-10-3-4-12-25-20/h1-4,8-10,12,16H,5-7,11,13-15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	>2.00E+4	n/a	n/a	7.5	30
Lilly Research Laboratories					Assay Description The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...				J Med Chem 51: 2302-2306 (2008) Article DOI: 10.1021/jm701199p BindingDB Entry DOI: 10.7270/Q2G15Z4K
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D] (Homo sapiens (Human))	BDBM21501 (2-(ethylsulfanyl)-4-[2-(pyridin-2-yl)-4H,5H,6H-pyr...) Show SMILES CCSc1cc(-c2c3CCCn3nc2-c2ccccn2)c2ccccc2n1 |(4.44,2.78,;3.11,3.55,;1.78,2.78,;.44,3.55,;.44,5.09,;-.89,5.86,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,;-2.22,5.09,;-3.56,5.86,;-4.89,5.09,;-4.89,3.55,;-3.56,2.78,;-2.22,3.55,;-.89,2.78,)| Show InChI InChI=1S/C22H20N4S/c1-2-27-20-14-16(15-8-3-4-9-17(15)24-20)21-19-11-7-13-26(19)25-22(21)18-10-5-6-12-23-18/h3-6,8-10,12,14H,2,7,11,13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	>2.00E+4	n/a	n/a	7.5	30
Lilly Research Laboratories					Assay Description The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...				J Med Chem 51: 2302-2306 (2008) Article DOI: 10.1021/jm701199p BindingDB Entry DOI: 10.7270/Q2G15Z4K
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D] (Homo sapiens (Human))	BDBM21493 (2-chloro-4-[2-(pyridin-2-yl)-4H,5H,6H-pyrrolo[1,2-...) Show SMILES Clc1cc(-c2c3CCCn3nc2-c2ccccn2)c2ccccc2n1 |(1.78,2.78,;.44,3.55,;.44,5.09,;-.89,5.86,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,;-2.22,5.09,;-3.56,5.86,;-4.89,5.09,;-4.89,3.55,;-3.56,2.78,;-2.22,3.55,;-.89,2.78,)| Show InChI InChI=1S/C20H15ClN4/c21-18-12-14(13-6-1-2-7-15(13)23-18)19-17-9-5-11-25(17)24-20(19)16-8-3-4-10-22-16/h1-4,6-8,10,12H,5,9,11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.98E+4	n/a	>2.00E+4	n/a	n/a	7.5	30
Lilly Research Laboratories					Assay Description The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...				J Med Chem 51: 2302-2306 (2008) Article DOI: 10.1021/jm701199p BindingDB Entry DOI: 10.7270/Q2G15Z4K
					More data for this Ligand-Target Pair