Compile Data Set for Download or QSAR

Found 273 hits of ec50 for UniProtKB: P36897   

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 (Homo sapiens (Human))	BDBM50238071 (CHEMBL4079857) Show SMILES Cc1ccc(F)c(c1)-c1cc(Nc2ccnc3cnn(C)c23)c(C)cn1 Show InChI InChI=1S/C20H18FN5/c1-12-4-5-15(21)14(8-12)18-9-17(13(2)10-23-18)25-16-6-7-22-19-11-24-26(3)20(16)19/h4-11H,1-3H3,(H,22,23,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.30	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Inhibition of ALK5 (unknown origin) expressed in SBE-bla HEK293T cells assessed as decrease in TGFbeta1-induced Smad2/3 phosphorylation by beta lacta...				Bioorg Med Chem Lett 27: 1955-1961 (2017) Article DOI: 10.1016/j.bmcl.2017.03.026 BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50238072 (CHEMBL4104104) Show SMILES CCn1ncc2nccc(Nc3cc(ncc3C)-c3cc(C)ccc3F)c12 Show InChI InChI=1S/C21H20FN5/c1-4-27-21-17(7-8-23-20(21)12-25-27)26-18-10-19(24-11-14(18)3)15-9-13(2)5-6-16(15)22/h5-12H,4H2,1-3H3,(H,23,24,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	7.90	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Binding affinity against cytidine deaminase of mouse kidney				Bioorg Med Chem Lett 27: 1955-1961 (2017) Article DOI: 10.1016/j.bmcl.2017.03.026 BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50238082 (CHEMBL4102696) Show SMILES Cc1cnc(cc1Nc1ccnc2cn[nH]c12)-c1cc(F)ccc1F Show InChI InChI=1S/C18H13F2N5/c1-10-8-22-16(12-6-11(19)2-3-13(12)20)7-15(10)24-14-4-5-21-17-9-23-25-18(14)17/h2-9H,1H3,(H,23,25)(H,21,22,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	7.90	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Inhibition of ALK5 (unknown origin) expressed in SBE-bla HEK293T cells assessed as decrease in TGFbeta1-induced Smad2/3 phosphorylation by beta lacta...				Bioorg Med Chem Lett 27: 1955-1961 (2017) Article DOI: 10.1016/j.bmcl.2017.03.026 BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50238084 (CHEMBL4085333) Show SMILES CC(O)Cn1ncc2nccc(Nc3cc(ncc3C)-c3cc(F)ccc3F)c12 Show InChI InChI=1S/C21H19F2N5O/c1-12-9-25-19(15-7-14(22)3-4-16(15)23)8-18(12)27-17-5-6-24-20-10-26-28(21(17)20)11-13(2)29/h3-10,13,29H,11H2,1-2H3,(H,24,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	7.90	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of Angiotensin I converting enzyme				Bioorg Med Chem Lett 27: 1955-1961 (2017) Article DOI: 10.1016/j.bmcl.2017.03.026 BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346286 (US10202377, Compound 93) Show SMILES C(N1CCCCC1)c1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1cccnc1 Show InChI InChI=1S/C29H26N8/c1-2-10-37(11-3-1)18-19-12-21(16-31-14-19)25-13-23-26(17-32-25)35-36-28(23)29-33-24-8-4-7-22(27(24)34-29)20-6-5-9-30-15-20/h4-9,12-17H,1-3,10-11,18H2,(H,33,34)(H,35,36)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346287 (US10202377, Compound 101) Show SMILES C(NCc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1cccnc1)c1ccccc1 Show InChI InChI=1S/C31H24N8/c1-2-6-20(7-3-1)14-33-15-21-12-23(18-34-16-21)27-13-25-28(19-35-27)38-39-30(25)31-36-26-10-4-9-24(29(26)37-31)22-8-5-11-32-17-22/h1-13,16-19,33H,14-15H2,(H,36,37)(H,38,39)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346294 (US10202377, Compound 154) Show SMILES C(NCc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1ccccn1)C1CCCC1 Show InChI InChI=1S/C30H28N8/c1-2-7-19(6-1)14-31-15-20-12-21(17-32-16-20)26-13-23-27(18-34-26)37-38-29(23)30-35-25-10-5-8-22(28(25)36-30)24-9-3-4-11-33-24/h3-5,8-13,16-19,31H,1-2,6-7,14-15H2,(H,35,36)(H,37,38)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346296 (US10202377, Compound 169) Show SMILES CN(C)Cc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)N1CCCCC1 Show InChI InChI=1S/C26H28N8/c1-33(2)16-17-11-18(14-27-13-17)21-12-19-22(15-28-21)31-32-24(19)26-29-20-7-6-8-23(25(20)30-26)34-9-4-3-5-10-34/h6-8,11-15H,3-5,9-10,16H2,1-2H3,(H,29,30)(H,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346298 (US10202377, Compound 181) Show SMILES FC1(F)CCN(Cc2cncc(c2)-c2cc3c(n[nH]c3cn2)-c2nc3c(cccc3[nH]2)N2CCCCC2)C1 Show InChI InChI=1S/C28H28F2N8/c29-28(30)7-10-37(17-28)16-18-11-19(14-31-13-18)22-12-20-23(15-32-22)35-36-25(20)27-33-21-5-4-6-24(26(21)34-27)38-8-2-1-3-9-38/h4-6,11-15H,1-3,7-10,16-17H2,(H,33,34)(H,35,36)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346300 (US10202377, Compound 190) Show SMILES Cc1cn(cn1)-c1cccc2[nH]c(nc12)-c1n[nH]c2cnc(cc12)-c1cncc(NC(=O)C(C)(C)C)c1 Show InChI InChI=1S/C27H25N9O/c1-15-13-36(14-30-15)22-7-5-6-19-24(22)33-25(32-19)23-18-9-20(29-12-21(18)34-35-23)16-8-17(11-28-10-16)31-26(37)27(2,3)4/h5-14H,1-4H3,(H,31,37)(H,32,33)(H,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346301 (US10202377, Compound 196) Show SMILES Cc1cn(cn1)-c1cccc2[nH]c(nc12)-c1n[nH]c2cnc(cc12)-c1cncc(CN2CCCC2)c1 Show InChI InChI=1S/C27H25N9/c1-17-14-36(16-30-17)24-6-4-5-21-26(24)32-27(31-21)25-20-10-22(29-13-23(20)33-34-25)19-9-18(11-28-12-19)15-35-7-2-3-8-35/h4-6,9-14,16H,2-3,7-8,15H2,1H3,(H,31,32)(H,33,34)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346302 (US10202377, Compound 202) Show SMILES Cc1cn(cn1)-c1cccc2[nH]c(nc12)-c1n[nH]c2cnc(cc12)-c1cncc(NC(=O)C2CCC2)c1 Show InChI InChI=1S/C27H23N9O/c1-15-13-36(14-30-15)23-7-3-6-20-25(23)33-26(32-20)24-19-9-21(29-12-22(19)34-35-24)17-8-18(11-28-10-17)31-27(37)16-4-2-5-16/h3,6-14,16H,2,4-5H2,1H3,(H,31,37)(H,32,33)(H,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346308 (US10202377, Compound 234) Show SMILES CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cnc(cc12)-c1cncnc1 Show InChI InChI=1S/C22H21N9/c1-30-5-7-31(8-6-30)19-4-2-3-16-21(19)27-22(26-16)20-15-9-17(14-10-23-13-24-11-14)25-12-18(15)28-29-20/h2-4,9-13H,5-8H2,1H3,(H,26,27)(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346313 (US10202377, Compound 265) Show SMILES Cc1ccncc1-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1ccsc1 Show InChI InChI=1S/C23H16N6S/c1-13-5-7-24-10-17(13)19-9-16-20(11-25-19)28-29-22(16)23-26-18-4-2-3-15(21(18)27-23)14-6-8-30-12-14/h2-12H,1H3,(H,26,27)(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346314 (US10202377, Compound 268) Show SMILES CC(C)(C)C(=O)Nc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1ccsc1 Show InChI InChI=1S/C27H23N7OS/c1-27(2,3)26(35)30-17-9-16(11-28-12-17)21-10-19-22(13-29-21)33-34-24(19)25-31-20-6-4-5-18(23(20)32-25)15-7-8-36-14-15/h4-14H,1-3H3,(H,30,35)(H,31,32)(H,33,34)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346316 (US10202377, Compound 271) Show SMILES O=C(Nc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1ccsc1)c1ccccc1 Show InChI InChI=1S/C29H19N7OS/c37-29(17-5-2-1-3-6-17)32-20-11-19(13-30-14-20)24-12-22-25(15-31-24)35-36-27(22)28-33-23-8-4-7-21(26(23)34-28)18-9-10-38-16-18/h1-16H,(H,32,37)(H,33,34)(H,35,36)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346317 (US10202377, Compound 277) Show SMILES CCCC(=O)Nc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1ccsc1 Show InChI InChI=1S/C26H21N7OS/c1-2-4-23(34)29-17-9-16(11-27-12-17)21-10-19-22(13-28-21)32-33-25(19)26-30-20-6-3-5-18(24(20)31-26)15-7-8-35-14-15/h3,5-14H,2,4H2,1H3,(H,29,34)(H,30,31)(H,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346319 (US10202377, Compound 283) Show SMILES C(NCc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1ccsc1)c1ccccc1 Show InChI InChI=1S/C30H23N7S/c1-2-5-19(6-3-1)13-31-14-20-11-22(16-32-15-20)26-12-24-27(17-33-26)36-37-29(24)30-34-25-8-4-7-23(28(25)35-30)21-9-10-38-18-21/h1-12,15-18,31H,13-14H2,(H,34,35)(H,36,37)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346320 (US10202377, Compound 288) Show SMILES CC(C)CC(=O)Nc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1ccoc1 Show InChI InChI=1S/C27H23N7O2/c1-15(2)8-24(35)30-18-9-17(11-28-12-18)22-10-20-23(13-29-22)33-34-26(20)27-31-21-5-3-4-19(25(21)32-27)16-6-7-36-14-16/h3-7,9-15H,8H2,1-2H3,(H,30,35)(H,31,32)(H,33,34)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346321 (US10202377, Compound 292) Show SMILES CCNCc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1ccoc1 Show InChI InChI=1S/C25H21N7O/c1-2-26-10-15-8-17(12-27-11-15)21-9-19-22(13-28-21)31-32-24(19)25-29-20-5-3-4-18(23(20)30-25)16-6-7-33-14-16/h3-9,11-14,26H,2,10H2,1H3,(H,29,30)(H,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346322 (US10202377, Compound 294) Show SMILES CC(C)(C)C(=O)Nc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1ccoc1 Show InChI InChI=1S/C27H23N7O2/c1-27(2,3)26(35)30-17-9-16(11-28-12-17)21-10-19-22(13-29-21)33-34-24(19)25-31-20-6-4-5-18(23(20)32-25)15-7-8-36-14-15/h4-14H,1-3H3,(H,30,35)(H,31,32)(H,33,34)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346324 (US10202377, Compound 298) Show SMILES CC(C)Nc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1ccoc1 Show InChI InChI=1S/C25H21N7O/c1-14(2)28-17-8-16(10-26-11-17)21-9-19-22(12-27-21)31-32-24(19)25-29-20-5-3-4-18(23(20)30-25)15-6-7-33-13-15/h3-14,28H,1-2H3,(H,29,30)(H,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346333 (US10202377, Compound 325) Show SMILES CN(C)Cc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1cccs1 Show InChI InChI=1S/C25H21N7S/c1-32(2)14-15-9-16(12-26-11-15)20-10-18-21(13-27-20)30-31-24(18)25-28-19-6-3-5-17(23(19)29-25)22-7-4-8-33-22/h3-13H,14H2,1-2H3,(H,28,29)(H,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346336 (US10202377, Compound 337) Show SMILES FC1(F)CCN(Cc2cncc(c2)-c2cc3c(n[nH]c3cn2)-c2nc3c(cccc3[nH]2)-c2cccs2)C1 Show InChI InChI=1S/C27H21F2N7S/c28-27(29)6-7-36(15-27)14-16-9-17(12-30-11-16)21-10-19-22(13-31-21)34-35-25(19)26-32-20-4-1-3-18(24(20)33-26)23-5-2-8-37-23/h1-5,8-13H,6-7,14-15H2,(H,32,33)(H,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346341 (US10202377, Compound 367) Show SMILES Cc1ccc(s1)-c1cccc2[nH]c(nc12)-c1n[nH]c2cnc(cc12)-c1cncc(N)c1 Show InChI InChI=1S/C23H17N7S/c1-12-5-6-20(31-12)15-3-2-4-17-21(15)28-23(27-17)22-16-8-18(26-11-19(16)29-30-22)13-7-14(24)10-25-9-13/h2-11H,24H2,1H3,(H,27,28)(H,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346343 (US10202377, Compound 379) Show SMILES Cc1ccc(s1)-c1cccc2[nH]c(nc12)-c1n[nH]c2cnc(cc12)-c1cncc(CN2CCCCC2)c1 Show InChI InChI=1S/C29H27N7S/c1-18-8-9-26(37-18)21-6-5-7-23-27(21)33-29(32-23)28-22-13-24(31-16-25(22)34-35-28)20-12-19(14-30-15-20)17-36-10-3-2-4-11-36/h5-9,12-16H,2-4,10-11,17H2,1H3,(H,32,33)(H,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346351 (US10202377, Compound 421) Show SMILES Cc1ccncc1-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1cc(F)cc(CNS(C)(=O)=O)c1 Show InChI InChI=1S/C27H22FN7O2S/c1-15-6-7-29-13-21(15)23-11-20-24(14-30-23)34-35-26(20)27-32-22-5-3-4-19(25(22)33-27)17-8-16(9-18(28)10-17)12-31-38(2,36)37/h3-11,13-14,31H,12H2,1-2H3,(H,32,33)(H,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346353 (US10202377, Compound 427) Show SMILES CS(=O)(=O)NCc1cc(F)cc(c1)-c1cccc2[nH]c(nc12)-c1n[nH]c2cnc(cc12)-c1cncc(NC(=O)c2ccccc2)c1 Show InChI InChI=1S/C33H25FN8O3S/c1-46(44,45)37-15-19-10-21(12-23(34)11-19)25-8-5-9-27-30(25)40-32(39-27)31-26-14-28(36-18-29(26)41-42-31)22-13-24(17-35-16-22)38-33(43)20-6-3-2-4-7-20/h2-14,16-18,37H,15H2,1H3,(H,38,43)(H,39,40)(H,41,42)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346354 (US10202377, Compound 433) Show SMILES CCCC(=O)Nc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1cc(F)cc(CNS(C)(=O)=O)c1 Show InChI InChI=1S/C30H27FN8O3S/c1-3-5-27(40)35-21-11-19(14-32-15-21)25-12-23-26(16-33-25)38-39-29(23)30-36-24-7-4-6-22(28(24)37-30)18-8-17(9-20(31)10-18)13-34-43(2,41)42/h4,6-12,14-16,34H,3,5,13H2,1-2H3,(H,35,40)(H,36,37)(H,38,39)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346356 (US10202377, Compound 439) Show SMILES CS(=O)(=O)NCc1cc(F)cc(c1)-c1cccc2[nH]c(nc12)-c1n[nH]c2cnc(cc12)-c1cncc(CNCc2ccccc2)c1 Show InChI InChI=1S/C34H29FN8O2S/c1-46(44,45)39-18-22-10-24(13-26(35)12-22)27-8-5-9-29-32(27)41-34(40-29)33-28-14-30(38-20-31(28)42-43-33)25-11-23(17-37-19-25)16-36-15-21-6-3-2-4-7-21/h2-14,17,19-20,36,39H,15-16,18H2,1H3,(H,40,41)(H,42,43)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346357 (US10202377, Compound 442) Show SMILES CS(=O)(=O)NCc1cc(F)cc(c1)-c1cccc2[nH]c(nc12)-c1n[nH]c2cnc(cc12)-c1cncnc1 Show InChI InChI=1S/C25H19FN8O2S/c1-37(35,36)30-9-14-5-15(7-17(26)6-14)18-3-2-4-20-23(18)32-25(31-20)24-19-8-21(16-10-27-13-28-11-16)29-12-22(19)33-34-24/h2-8,10-13,30H,9H2,1H3,(H,31,32)(H,33,34)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346358 (US10202377, Compound 448) Show SMILES CCNCc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1cc(F)cc(NCCN(C)C)c1 Show InChI InChI=1S/C31H32FN9/c1-4-33-15-19-10-21(17-34-16-19)27-14-25-28(18-36-27)39-40-30(25)31-37-26-7-5-6-24(29(26)38-31)20-11-22(32)13-23(12-20)35-8-9-41(2)3/h5-7,10-14,16-18,33,35H,4,8-9,15H2,1-3H3,(H,37,38)(H,39,40)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346365 (US10202377, Compound 939) Show SMILES Fc1cccc(c1)-c1cccc2[nH]c(nc12)-c1n[nH]c2cnc(cc12)-c1cn[nH]c1 Show InChI InChI=1S/C22H14FN7/c23-14-4-1-3-12(7-14)15-5-2-6-17-20(15)28-22(27-17)21-16-8-18(13-9-25-26-10-13)24-11-19(16)29-30-21/h1-11H,(H,25,26)(H,27,28)(H,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346379 (US10202377, Compound 953) Show SMILES Fc1cccc(c1)-c1cccc2[nH]c(nc12)-c1n[nH]c2cnc(cc12)-c1ccccn1 Show InChI InChI=1S/C24H15FN6/c25-15-6-3-5-14(11-15)16-7-4-9-19-22(16)29-24(28-19)23-17-12-20(18-8-1-2-10-26-18)27-13-21(17)30-31-23/h1-13H,(H,28,29)(H,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346383 (US10202377, Compound 1350) Show SMILES CC(C)CC(=O)Nc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1cc(O)cc(F)c1 Show InChI InChI=1S/C29H24FN7O2/c1-15(2)6-26(39)33-19-8-17(12-31-13-19)24-11-22-25(14-32-24)36-37-28(22)29-34-23-5-3-4-21(27(23)35-29)16-7-18(30)10-20(38)9-16/h3-5,7-15,38H,6H2,1-2H3,(H,33,39)(H,34,35)(H,36,37)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346269 (US10202377, Compound 1) Show SMILES CCC(=O)Nc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1cccc(F)c1 Show InChI InChI=1S/C27H20FN7O/c1-2-24(36)31-18-10-16(12-29-13-18)22-11-20-23(14-30-22)34-35-26(20)27-32-21-8-4-7-19(25(21)33-27)15-5-3-6-17(28)9-15/h3-14H,2H2,1H3,(H,31,36)(H,32,33)(H,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346271 (US10202377, Compound 13) Show SMILES CN(C)Cc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1cccc(F)c1 Show InChI InChI=1S/C27H22FN7/c1-35(2)15-16-9-18(13-29-12-16)23-11-21-24(14-30-23)33-34-26(21)27-31-22-8-4-7-20(25(22)32-27)17-5-3-6-19(28)10-17/h3-14H,15H2,1-2H3,(H,31,32)(H,33,34)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346279 (US10202377, Compound 55) Show SMILES Nc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1ccccc1F Show InChI InChI=1S/C24H16FN7/c25-18-6-2-1-4-15(18)16-5-3-7-19-22(16)30-24(29-19)23-17-9-20(28-12-21(17)31-32-23)13-8-14(26)11-27-10-13/h1-12H,26H2,(H,29,30)(H,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346283 (US10202377, Compound 82) Show SMILES c1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1cccnc1 Show InChI InChI=1S/C23H15N7/c1-6-16(14-4-2-8-24-11-14)21-18(7-1)27-23(28-21)22-17-10-19(15-5-3-9-25-12-15)26-13-20(17)29-30-22/h1-13H,(H,27,28)(H,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346285 (US10202377, Compound 90) Show SMILES CC(C)Nc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1cccnc1 Show InChI InChI=1S/C26H22N8/c1-15(2)30-18-9-17(12-28-13-18)22-10-20-23(14-29-22)33-34-25(20)26-31-21-7-3-6-19(24(21)32-26)16-5-4-8-27-11-16/h3-15,30H,1-2H3,(H,31,32)(H,33,34)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50533226 (CHEMBL4467267) Show SMILES C[C@H](O)CNC(=O)c1cnccc1Nc1cc(nc2[nH]ccc12)-c1cc(Cl)ccc1F |r| Show InChI InChI=1S/C22H19ClFN5O2/c1-12(30)10-27-22(31)16-11-25-6-5-18(16)28-19-9-20(29-21-14(19)4-7-26-21)15-8-13(23)2-3-17(15)24/h2-9,11-12,30H,10H2,1H3,(H,27,31)(H2,25,26,28,29)/t12-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.10	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Inhibition of ALK5 in TGF beta1-stimulated HEK293T cells by SMAD binding element-driven beta lactamase reporter gene assay				Bioorg Med Chem Lett 26: 4334-9 (2016) Article DOI: 10.1016/j.bmcl.2016.07.030 BindingDB Entry DOI: 10.7270/Q2NV9NQT
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50533226 (CHEMBL4467267) Show SMILES C[C@H](O)CNC(=O)c1cnccc1Nc1cc(nc2[nH]ccc12)-c1cc(Cl)ccc1F |r| Show InChI InChI=1S/C22H19ClFN5O2/c1-12(30)10-27-22(31)16-11-25-6-5-18(16)28-19-9-20(29-21-14(19)4-7-26-21)15-8-13(23)2-3-17(15)24/h2-9,11-12,30H,10H2,1H3,(H,27,31)(H2,25,26,28,29)/t12-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.10	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Inhibition of ALK5 in TGF beta1-stimulated HEK293T cells by SMAD binding element-driven beta lactamase reporter gene assay				Bioorg Med Chem Lett 26: 4334-9 (2016) Article DOI: 10.1016/j.bmcl.2016.07.030 BindingDB Entry DOI: 10.7270/Q2NV9NQT
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50533223 (CHEMBL4470706) Show SMILES Fc1ccc(Cl)cc1-c1cc(-n2c3ccncc3[nH]c2=O)c2cc[nH]c2n1 |(18.42,-12.28,;17.08,-11.52,;15.76,-12.29,;14.41,-11.52,;14.42,-9.98,;13.08,-9.2,;15.75,-9.21,;17.08,-9.98,;18.41,-9.21,;18.42,-7.67,;19.74,-6.9,;19.74,-5.36,;18.49,-4.46,;16.99,-4.78,;15.95,-3.65,;16.42,-2.17,;17.93,-1.85,;18.96,-3,;20.5,-2.99,;20.98,-4.45,;22.44,-4.93,;21.08,-7.66,;22.56,-7.18,;23.47,-8.44,;22.56,-9.69,;21.08,-9.21,;19.75,-9.98,)| Show InChI InChI=1S/C19H11ClFN5O/c20-10-1-2-13(21)12(7-10)14-8-17(11-3-6-23-18(11)24-14)26-16-4-5-22-9-15(16)25-19(26)27/h1-9H,(H,23,24)(H,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.5	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Inhibition of ALK5 in TGF beta1-stimulated HEK293T cells by SMAD binding element-driven beta lactamase reporter gene assay				Bioorg Med Chem Lett 26: 4334-9 (2016) Article DOI: 10.1016/j.bmcl.2016.07.030 BindingDB Entry DOI: 10.7270/Q2NV9NQT
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50533223 (CHEMBL4470706) Show SMILES Fc1ccc(Cl)cc1-c1cc(-n2c3ccncc3[nH]c2=O)c2cc[nH]c2n1 |(18.42,-12.28,;17.08,-11.52,;15.76,-12.29,;14.41,-11.52,;14.42,-9.98,;13.08,-9.2,;15.75,-9.21,;17.08,-9.98,;18.41,-9.21,;18.42,-7.67,;19.74,-6.9,;19.74,-5.36,;18.49,-4.46,;16.99,-4.78,;15.95,-3.65,;16.42,-2.17,;17.93,-1.85,;18.96,-3,;20.5,-2.99,;20.98,-4.45,;22.44,-4.93,;21.08,-7.66,;22.56,-7.18,;23.47,-8.44,;22.56,-9.69,;21.08,-9.21,;19.75,-9.98,)| Show InChI InChI=1S/C19H11ClFN5O/c20-10-1-2-13(21)12(7-10)14-8-17(11-3-6-23-18(11)24-14)26-16-4-5-22-9-15(16)25-19(26)27/h1-9H,(H,23,24)(H,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.5	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Inhibition of ALK5 in TGF beta1-stimulated HEK293T cells by SMAD binding element-driven beta lactamase reporter gene assay				Bioorg Med Chem Lett 26: 4334-9 (2016) Article DOI: 10.1016/j.bmcl.2016.07.030 BindingDB Entry DOI: 10.7270/Q2NV9NQT
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346272 (US10202377, Compound 20) Show SMILES Fc1cccc(c1)-c1cccc2[nH]c(nc12)-c1n[nH]c2cnc(cc12)-c1cncc(NC(=O)C2CCC2)c1 Show InChI InChI=1S/C29H22FN7O/c30-19-7-2-6-17(10-19)21-8-3-9-23-26(21)35-28(34-23)27-22-12-24(32-15-25(22)36-37-27)18-11-20(14-31-13-18)33-29(38)16-4-1-5-16/h2-3,6-16H,1,4-5H2,(H,33,38)(H,34,35)(H,36,37)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50238070 (CHEMBL4069101) Show SMILES Cc1cnc(cc1Nc1ccnc2cn(CC(N)=O)nc12)-c1cc(Cl)ccc1F Show InChI InChI=1S/C20H16ClFN6O/c1-11-8-25-17(13-6-12(21)2-3-14(13)22)7-16(11)26-15-4-5-24-18-9-28(10-19(23)29)27-20(15)18/h2-9H,10H2,1H3,(H2,23,29)(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Inhibition of ALK5 (unknown origin) expressed in SBE-bla HEK293T cells assessed as decrease in TGFbeta1-induced Smad2/3 phosphorylation by beta lacta...				Bioorg Med Chem Lett 27: 1955-1961 (2017) Article DOI: 10.1016/j.bmcl.2017.03.026 BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346342 (US10202377, Compound 373) Show SMILES CC(C)C(=O)Nc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1ccc(C)s1 Show InChI InChI=1S/C27H23N7OS/c1-14(2)27(35)30-17-9-16(11-28-12-17)21-10-19-22(13-29-21)33-34-25(19)26-31-20-6-4-5-18(24(20)32-26)23-8-7-15(3)36-23/h4-14H,1-3H3,(H,30,35)(H,31,32)(H,33,34)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50238095 (CHEMBL4082868) Show SMILES CCn1cc2nccc(Nc3cc(ncc3C)-c3cc(C)ccc3F)c2n1 Show InChI InChI=1S/C21H20FN5/c1-4-27-12-20-21(26-27)17(7-8-23-20)25-18-10-19(24-11-14(18)3)15-9-13(2)5-6-16(15)22/h5-12H,4H2,1-3H3,(H,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Inhibition of ALK5 (unknown origin) expressed in SBE-bla HEK293T cells assessed as decrease in TGFbeta1-induced Smad2/3 phosphorylation by beta lacta...				Bioorg Med Chem Lett 27: 1955-1961 (2017) Article DOI: 10.1016/j.bmcl.2017.03.026 BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50533228 (CHEMBL4452818) Show SMILES Fc1ccc(c(F)c1)-c1cc(Nc2ccncc2C(=O)NC2CC2)c2cc[nH]c2n1 Show InChI InChI=1S/C22H17F2N5O/c23-12-1-4-14(17(24)9-12)19-10-20(15-5-8-26-21(15)29-19)28-18-6-7-25-11-16(18)22(30)27-13-2-3-13/h1,4-11,13H,2-3H2,(H,27,30)(H2,25,26,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Inhibition of ALK5 in TGF beta1-stimulated HEK293T cells by SMAD binding element-driven beta lactamase reporter gene assay				Bioorg Med Chem Lett 26: 4334-9 (2016) Article DOI: 10.1016/j.bmcl.2016.07.030 BindingDB Entry DOI: 10.7270/Q2NV9NQT
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM346270 (US10202377, Compound 7) Show SMILES CN(C)c1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1nc2c(cccc2[nH]1)-c1cccc(F)c1 Show InChI InChI=1S/C26H20FN7/c1-34(2)18-10-16(12-28-13-18)22-11-20-23(14-29-22)32-33-25(20)26-30-21-8-4-7-19(24(21)31-26)15-5-3-6-17(27)9-15/h3-14H,1-2H3,(H,30,31)(H,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description Compound Screening: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:2, 11-point d...				US Patent US10202377 (2019) BindingDB Entry DOI: 10.7270/Q2639RV7
					More data for this Ligand-Target Pair

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