Compile Data Set for Download or QSAR

Found 170 hits with Last Name = 'heap' and Initial = 'cr'   

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))	BDBM50184486 (1-methyl-6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[...) Show SMILES Cn1cnc2ccc(cc12)-c1c2CCCn2nc1-c1ccccn1 Show InChI InChI=1S/C19H17N5/c1-23-12-21-14-8-7-13(11-17(14)23)18-16-6-4-10-24(16)22-19(18)15-5-2-3-9-20-15/h2-3,5,7-9,11-12H,4,6,10H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Inhibition of TGFbeta R1 induced transcriptional activation of p3TP-Lux in mink Mv1Lu lung cells				J Med Chem 49: 2138-42 (2006) Article DOI: 10.1021/jm058209g BindingDB Entry DOI: 10.7270/Q2V40TS0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50057402 (CHEMBL3322777) Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(OC)c(c3)N(C)C)c3cccn-23)c1 Show InChI InChI=1S/C26H30N4O3/c1-28(2)22-16-18(7-10-23(22)33-4)25(31)29-14-11-26(12-15-29)24-6-5-13-30(24)21-9-8-19(32-3)17-20(21)27-26/h5-10,13,16-17,27H,11-12,14-15H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50057398 (CHEMBL3322775) Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(N(C)C)c(Cl)c3)c3cccn-23)c1 Show InChI InChI=1S/C25H27ClN4O2/c1-28(2)21-8-6-17(15-19(21)26)24(31)29-13-10-25(11-14-29)23-5-4-12-30(23)22-9-7-18(32-3)16-20(22)27-25/h4-9,12,15-16,27H,10-11,13-14H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50184488 (6-[2-(6-methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrol...) Show SMILES Cc1cccc(n1)-c1nn2CCCc2c1-c1ccc2nc[nH]c2c1 Show InChI InChI=1S/C19H17N5/c1-12-4-2-5-15(22-12)19-18(17-6-3-9-24(17)23-19)13-7-8-14-16(10-13)21-11-20-14/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Inhibition of TGFbeta R1 induced transcriptional activation of p3TP-Lux in mink Mv1Lu lung cells				J Med Chem 49: 2138-42 (2006) Article DOI: 10.1021/jm058209g BindingDB Entry DOI: 10.7270/Q2V40TS0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50057365 (CHEMBL3322762) Show SMILES COc1ccc-2c(NC3(CCN(Cc4ccccc4)CC3)c3cccn-23)c1 Show InChI InChI=1S/C23H25N3O/c1-27-19-9-10-21-20(16-19)24-23(22-8-5-13-26(21)22)11-14-25(15-12-23)17-18-6-3-2-4-7-18/h2-10,13,16,24H,11-12,14-15,17H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50184483 (1-methyl-6-[2-(6-methylpyridin-2-yl)-5,6-dihydro-4...) Show SMILES Cc1cccc(n1)-c1nn2CCCc2c1-c1ccc2ncn(C)c2c1 Show InChI InChI=1S/C20H19N5/c1-13-5-3-6-16(22-13)20-19(17-7-4-10-25(17)23-20)14-8-9-15-18(11-14)24(2)12-21-15/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Inhibition of recombinant human TGFbeta R1 expressed in Sf9 cells				J Med Chem 49: 2138-42 (2006) Article DOI: 10.1021/jm058209g BindingDB Entry DOI: 10.7270/Q2V40TS0
					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 (Homo sapiens (Human))	BDBM50184483 (1-methyl-6-[2-(6-methylpyridin-2-yl)-5,6-dihydro-4...) Show SMILES Cc1cccc(n1)-c1nn2CCCc2c1-c1ccc2ncn(C)c2c1 Show InChI InChI=1S/C20H19N5/c1-13-5-3-6-16(22-13)20-19(17-7-4-10-25(17)23-20)14-8-9-15-18(11-14)24(2)12-21-15/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Inhibition of TGFbeta R1 induced transcriptional activation of p3TP-Lux in mink Mv1Lu lung cells				J Med Chem 49: 2138-42 (2006) Article DOI: 10.1021/jm058209g BindingDB Entry DOI: 10.7270/Q2V40TS0
					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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50057401 (CHEMBL3322776) Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(OC)c(Cl)c3)c3cccn-23)c1 Show InChI InChI=1S/C24H24ClN3O3/c1-30-17-6-7-20-19(15-17)26-24(22-4-3-11-28(20)22)9-12-27(13-10-24)23(29)16-5-8-21(31-2)18(25)14-16/h3-8,11,14-15,26H,9-10,12-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (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 UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Inhibition of TGFbeta R1 induced transcriptional activation of p3TP-Lux in mink Mv1Lu lung cells				J Med Chem 49: 2138-42 (2006) Article DOI: 10.1021/jm058209g BindingDB Entry DOI: 10.7270/Q2V40TS0
					More data for this Ligand-Target Pair				3D Structure (crystal)
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50184489 (3-(6-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrr...) Show SMILES Cc1cccc(n1)-c1nn2CCCc2c1-c1ccc2ncn(CCCO)c2c1 Show InChI InChI=1S/C22H23N5O/c1-15-5-2-6-18(24-15)22-21(19-7-3-11-27(19)25-22)16-8-9-17-20(13-16)26(14-23-17)10-4-12-28/h2,5-6,8-9,13-14,28H,3-4,7,10-12H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Inhibition of recombinant human TGFbeta R1 expressed in Sf9 cells				J Med Chem 49: 2138-42 (2006) Article DOI: 10.1021/jm058209g BindingDB Entry DOI: 10.7270/Q2V40TS0
					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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50057356 (CHEMBL3322666) Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCC2(CC1)Nc1ccccc1-n1cccc21 Show InChI InChI=1S/C24H25N3O/c1-17-14-18(2)16-19(15-17)23(28)26-12-9-24(10-13-26)22-8-5-11-27(22)21-7-4-3-6-20(21)25-24/h3-8,11,14-16,25H,9-10,12-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50184488 (6-[2-(6-methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrol...) Show SMILES Cc1cccc(n1)-c1nn2CCCc2c1-c1ccc2nc[nH]c2c1 Show InChI InChI=1S/C19H17N5/c1-12-4-2-5-15(22-12)19-18(17-6-3-9-24(17)23-19)13-7-8-14-16(10-13)21-11-20-14/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Inhibition of recombinant human TGFbeta R1 expressed in Sf9 cells				J Med Chem 49: 2138-42 (2006) Article DOI: 10.1021/jm058209g BindingDB Entry DOI: 10.7270/Q2V40TS0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50057374 (CHEMBL3322759) Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3cccc(Cl)c3)c3cccn-23)c1 Show InChI InChI=1S/C23H22ClN3O2/c1-29-18-7-8-20-19(15-18)25-23(21-6-3-11-27(20)21)9-12-26(13-10-23)22(28)16-4-2-5-17(24)14-16/h2-8,11,14-15,25H,9-10,12-13H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					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 (Homo sapiens (Human))	BDBM50184494 (6-[2-(6-methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrol...) Show SMILES Cc1cccc(n1)-c1nn2CCCc2c1-c1ccc2ncn(CCCN3CCCCC3)c2c1 Show InChI InChI=1S/C27H32N6/c1-20-8-5-9-23(29-20)27-26(24-10-6-17-33(24)30-27)21-11-12-22-25(18-21)32(19-28-22)16-7-15-31-13-3-2-4-14-31/h5,8-9,11-12,18-19H,2-4,6-7,10,13-17H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Inhibition of TGFbeta R1 induced transcriptional activation of p3TP-Lux in mink Mv1Lu lung cells				J Med Chem 49: 2138-42 (2006) Article DOI: 10.1021/jm058209g BindingDB Entry DOI: 10.7270/Q2V40TS0
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50184496 (CHEMBL441176 | dimethyl-(3-{6-[2-(6-methyl-pyridin...) Show SMILES CN(C)CCCn1cnc2ccc(cc12)-c1c2CCCn2nc1-c1cccc(C)n1 Show InChI InChI=1S/C24H28N6/c1-17-7-4-8-20(26-17)24-23(21-9-5-14-30(21)27-24)18-10-11-19-22(15-18)29(16-25-19)13-6-12-28(2)3/h4,7-8,10-11,15-16H,5-6,9,12-14H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Inhibition of TGFbeta R1 induced transcriptional activation of p3TP-Lux in mink Mv1Lu lung cells				J Med Chem 49: 2138-42 (2006) Article DOI: 10.1021/jm058209g BindingDB Entry DOI: 10.7270/Q2V40TS0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50057394 (CHEMBL3322773) Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(cc3)N(C)C)c3cccn-23)c1 Show InChI InChI=1S/C25H28N4O2/c1-27(2)19-8-6-18(7-9-19)24(30)28-15-12-25(13-16-28)23-5-4-14-29(23)22-11-10-20(31-3)17-21(22)26-25/h4-11,14,17,26H,12-13,15-16H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (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 UniProtKB/SwissProt B.MOAD antibodypedia 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	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Inhibition of recombinant human TGFbeta R1 expressed in Sf9 cells				J Med Chem 49: 2138-42 (2006) Article DOI: 10.1021/jm058209g BindingDB Entry DOI: 10.7270/Q2V40TS0
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 (Homo sapiens (Human))	BDBM50184487 (4-(3-(6-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-p...) Show SMILES Cc1cccc(n1)-c1nn2CCCc2c1-c1ccc2ncn(CCCN3CCOCC3)c2c1 Show InChI InChI=1S/C26H30N6O/c1-19-5-2-6-22(28-19)26-25(23-7-3-12-32(23)29-26)20-8-9-21-24(17-20)31(18-27-21)11-4-10-30-13-15-33-16-14-30/h2,5-6,8-9,17-18H,3-4,7,10-16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Inhibition of recombinant human TGFbeta R1 expressed in Sf9 cells				J Med Chem 49: 2138-42 (2006) Article DOI: 10.1021/jm058209g BindingDB Entry DOI: 10.7270/Q2V40TS0
					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))	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 (Homo sapiens (Human))	BDBM50184497 (6-[2-(6-methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrol...) Show SMILES Cc1cccc(n1)-c1nn2CCCc2c1-c1ccc2ncn(CCCN3CCCC3)c2c1 Show InChI InChI=1S/C26H30N6/c1-19-7-4-8-22(28-19)26-25(23-9-5-16-32(23)29-26)20-10-11-21-24(17-20)31(18-27-21)15-6-14-30-12-2-3-13-30/h4,7-8,10-11,17-18H,2-3,5-6,9,12-16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Inhibition of recombinant human TGFbeta R1 expressed in Sf9 cells				J Med Chem 49: 2138-42 (2006) Article DOI: 10.1021/jm058209g BindingDB Entry DOI: 10.7270/Q2V40TS0
					More data for this Ligand-Target Pair
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 (Homo sapiens (Human))	BDBM50184486 (1-methyl-6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[...) Show SMILES Cn1cnc2ccc(cc12)-c1c2CCCn2nc1-c1ccccn1 Show InChI InChI=1S/C19H17N5/c1-23-12-21-14-8-7-13(11-17(14)23)18-16-6-4-10-24(16)22-19(18)15-5-2-3-9-20-15/h2-3,5,7-9,11-12H,4,6,10H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Inhibition of recombinant human TGFbeta R1 expressed in Sf9 cells				J Med Chem 49: 2138-42 (2006) Article DOI: 10.1021/jm058209g BindingDB Entry DOI: 10.7270/Q2V40TS0
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50184489 (3-(6-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrr...) Show SMILES Cc1cccc(n1)-c1nn2CCCc2c1-c1ccc2ncn(CCCO)c2c1 Show InChI InChI=1S/C22H23N5O/c1-15-5-2-6-18(24-15)22-21(19-7-3-11-27(19)25-22)16-8-9-17-20(13-16)26(14-23-17)10-4-12-28/h2,5-6,8-9,13-14,28H,3-4,7,10-12H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Inhibition of TGFbeta R1 induced transcriptional activation of p3TP-Lux in mink Mv1Lu lung cells				J Med Chem 49: 2138-42 (2006) Article DOI: 10.1021/jm058209g BindingDB Entry DOI: 10.7270/Q2V40TS0
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50184490 (3-[6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]...) Show SMILES OCCCn1cnc2ccc(cc12)-c1c2CCCn2nc1-c1ccccn1 Show InChI InChI=1S/C21H21N5O/c27-12-4-10-25-14-23-16-8-7-15(13-19(16)25)20-18-6-3-11-26(18)24-21(20)17-5-1-2-9-22-17/h1-2,5,7-9,13-14,27H,3-4,6,10-12H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Inhibition of recombinant human TGFbeta R1 expressed in Sf9 cells				J Med Chem 49: 2138-42 (2006) Article DOI: 10.1021/jm058209g BindingDB Entry DOI: 10.7270/Q2V40TS0
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50184490 (3-[6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]...) Show SMILES OCCCn1cnc2ccc(cc12)-c1c2CCCn2nc1-c1ccccn1 Show InChI InChI=1S/C21H21N5O/c27-12-4-10-25-14-23-16-8-7-15(13-19(16)25)20-18-6-3-11-26(18)24-21(20)17-5-1-2-9-22-17/h1-2,5,7-9,13-14,27H,3-4,6,10-12H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Inhibition of TGFbeta R1 induced transcriptional activation of p3TP-Lux in mink Mv1Lu lung cells				J Med Chem 49: 2138-42 (2006) Article DOI: 10.1021/jm058209g BindingDB Entry DOI: 10.7270/Q2V40TS0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50057358 (CHEMBL3322668) Show SMILES FC(F)(F)Oc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(cc3)C#N)c3cccn-23)c1 Show InChI InChI=1S/C24H19F3N4O2/c25-24(26,27)33-18-7-8-20-19(14-18)29-23(21-2-1-11-31(20)21)9-12-30(13-10-23)22(32)17-5-3-16(15-28)4-6-17/h1-8,11,14,29H,9-10,12-13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50184496 (CHEMBL441176 | dimethyl-(3-{6-[2-(6-methyl-pyridin...) Show SMILES CN(C)CCCn1cnc2ccc(cc12)-c1c2CCCn2nc1-c1cccc(C)n1 Show InChI InChI=1S/C24H28N6/c1-17-7-4-8-20(26-17)24-23(21-9-5-14-30(21)27-24)18-10-11-19-22(15-18)29(16-25-19)13-6-12-28(2)3/h4,7-8,10-11,15-16H,5-6,9,12-14H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Inhibition of recombinant human TGFbeta R1 expressed in Sf9 cells				J Med Chem 49: 2138-42 (2006) Article DOI: 10.1021/jm058209g BindingDB Entry DOI: 10.7270/Q2V40TS0
					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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50057404 (CHEMBL3322778) Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(N(C)C)c(OC)c3)c3cccn-23)c1 Show InChI InChI=1S/C26H30N4O3/c1-28(2)22-9-7-18(16-23(22)33-4)25(31)29-14-11-26(12-15-29)24-6-5-13-30(24)21-10-8-19(32-3)17-20(21)27-26/h5-10,13,16-17,27H,11-12,14-15H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50057378 (CHEMBL3322772) Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(Cl)cc3)c3cccn-23)c1 Show InChI InChI=1S/C23H22ClN3O2/c1-29-18-8-9-20-19(15-18)25-23(21-3-2-12-27(20)21)10-13-26(14-11-23)22(28)16-4-6-17(24)7-5-16/h2-9,12,15,25H,10-11,13-14H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					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 (Homo sapiens (Human))	BDBM50184493 (CHEMBL203791 | N,N-diethyl-3-(6-(2-(6-methylpyridi...) Show SMILES CCN(CC)CCCn1cnc2ccc(cc12)-c1c2CCCn2nc1-c1cccc(C)n1 Show InChI InChI=1S/C26H32N6/c1-4-30(5-2)14-8-15-31-18-27-21-13-12-20(17-24(21)31)25-23-11-7-16-32(23)29-26(25)22-10-6-9-19(3)28-22/h6,9-10,12-13,17-18H,4-5,7-8,11,14-16H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Inhibition of TGFbeta R1 induced transcriptional activation of p3TP-Lux in mink Mv1Lu lung cells				J Med Chem 49: 2138-42 (2006) Article DOI: 10.1021/jm058209g BindingDB Entry DOI: 10.7270/Q2V40TS0
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50184480 (CHEMBL202730 | dimethyl-{3-[6-(2-pyridin-2-yl-5,6-...) Show SMILES CN(C)CCCn1cnc2ccc(cc12)-c1c2CCCn2nc1-c1ccccn1 Show InChI InChI=1S/C23H26N6/c1-27(2)12-6-13-28-16-25-18-10-9-17(15-21(18)28)22-20-8-5-14-29(20)26-23(22)19-7-3-4-11-24-19/h3-4,7,9-11,15-16H,5-6,8,12-14H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Inhibition of TGFbeta R1 induced transcriptional activation of p3TP-Lux in mink Mv1Lu lung cells				J Med Chem 49: 2138-42 (2006) Article DOI: 10.1021/jm058209g BindingDB Entry DOI: 10.7270/Q2V40TS0
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50184497 (6-[2-(6-methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrol...) Show SMILES Cc1cccc(n1)-c1nn2CCCc2c1-c1ccc2ncn(CCCN3CCCC3)c2c1 Show InChI InChI=1S/C26H30N6/c1-19-7-4-8-22(28-19)26-25(23-9-5-16-32(23)29-26)20-10-11-21-24(17-20)31(18-27-21)15-6-14-30-12-2-3-13-30/h4,7-8,10-11,17-18H,2-3,5-6,9,12-16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	117	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Inhibition of TGFbeta R1 induced transcriptional activation of p3TP-Lux in mink Mv1Lu lung cells				J Med Chem 49: 2138-42 (2006) Article DOI: 10.1021/jm058209g BindingDB Entry DOI: 10.7270/Q2V40TS0
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50184493 (CHEMBL203791 | N,N-diethyl-3-(6-(2-(6-methylpyridi...) Show SMILES CCN(CC)CCCn1cnc2ccc(cc12)-c1c2CCCn2nc1-c1cccc(C)n1 Show InChI InChI=1S/C26H32N6/c1-4-30(5-2)14-8-15-31-18-27-21-13-12-20(17-24(21)31)25-23-11-7-16-32(23)29-26(25)22-10-6-9-19(3)28-22/h6,9-10,12-13,17-18H,4-5,7-8,11,14-16H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Inhibition of recombinant human TGFbeta R1 expressed in Sf9 cells				J Med Chem 49: 2138-42 (2006) Article DOI: 10.1021/jm058209g BindingDB Entry DOI: 10.7270/Q2V40TS0
					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))	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 (Homo sapiens (Human))	BDBM50184494 (6-[2-(6-methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrol...) Show SMILES Cc1cccc(n1)-c1nn2CCCc2c1-c1ccc2ncn(CCCN3CCCCC3)c2c1 Show InChI InChI=1S/C27H32N6/c1-20-8-5-9-23(29-20)27-26(24-10-6-17-33(24)30-27)21-11-12-22-25(18-21)32(19-28-22)16-7-15-31-13-3-2-4-14-31/h5,8-9,11-12,18-19H,2-4,6-7,10,13-17H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	155	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Inhibition of recombinant human TGFbeta R1 expressed in Sf9 cells				J Med Chem 49: 2138-42 (2006) Article DOI: 10.1021/jm058209g BindingDB Entry DOI: 10.7270/Q2V40TS0
					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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50057405 (CHEMBL3322779) Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3cc(C)cc(C)c3)c3cccn-23)c1 Show InChI InChI=1S/C25H27N3O2/c1-17-13-18(2)15-19(14-17)24(29)27-11-8-25(9-12-27)23-5-4-10-28(23)22-7-6-20(30-3)16-21(22)26-25/h4-7,10,13-16,26H,8-9,11-12H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50184487 (4-(3-(6-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-p...) Show SMILES Cc1cccc(n1)-c1nn2CCCc2c1-c1ccc2ncn(CCCN3CCOCC3)c2c1 Show InChI InChI=1S/C26H30N6O/c1-19-5-2-6-22(28-19)26-25(23-7-3-12-32(23)29-26)20-8-9-21-24(17-20)31(18-27-21)11-4-10-30-13-15-33-16-14-30/h2,5-6,8-9,17-18H,3-4,7,10-16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	186	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratory Curated by ChEMBL					Assay Description Inhibition of TGFbeta R1 induced transcriptional activation of p3TP-Lux in mink Mv1Lu lung cells				J Med Chem 49: 2138-42 (2006) Article DOI: 10.1021/jm058209g BindingDB Entry DOI: 10.7270/Q2V40TS0
					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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50057375 (CHEMBL3322760) Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3cccc(c3)C#N)c3cccn-23)c1 Show InChI InChI=1S/C24H22N4O2/c1-30-19-7-8-21-20(15-19)26-24(22-6-3-11-28(21)22)9-12-27(13-10-24)23(29)18-5-2-4-17(14-18)16-25/h2-8,11,14-15,26H,9-10,12-13H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	201	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					More data for this Ligand-Target Pair

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