Compile Data Set for Download or QSAR

Found 2325 hits with Last Name = 'kinsella' and Initial = 't'   

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
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50188619 (1-(2-(p-toluidino)-5-nitrophenylsulfonyl)-3-tert-b...) Show SMILES Cc1ccc(Nc2ccc(cc2S(=O)(=O)NC(=O)NC(C)(C)C)[N+]([O-])=O)cc1 Show InChI InChI=1S/C18H22N4O5S/c1-12-5-7-13(8-6-12)19-15-10-9-14(22(24)25)11-16(15)28(26,27)21-17(23)20-18(2,3)4/h5-11,19H,1-4H3,(H2,20,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li&eagrove;ge Curated by PDSP Ki Database									J Pharmacol Exp Ther 313: 293-301 (2005) Article DOI: 10.1124/jpet.104.079301 BindingDB Entry DOI: 10.7270/Q2NV9GVJ
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM282825 (6-(4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-...) Show SMILES OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C18H12ClFN6O/c19-13-7-11(1-2-14(13)20)17-18(25(5-6-27)10-23-17)15-3-4-16-22-9-12(8-21)26(16)24-15/h1-4,7,9-10,27H,5-6H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research & Development Curated by ChEMBL					Assay Description Inhibition of TGFBR1 in human whole blood assessed as apparent inhibition constant by measuring reduction in TGFbeta-induced SMAD phosphorylation				ACS Med Chem Lett 11: 172-178 (2020) Article DOI: 10.1021/acsmedchemlett.9b00552 BindingDB Entry DOI: 10.7270/Q2MP56K3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50188619 (1-(2-(p-toluidino)-5-nitrophenylsulfonyl)-3-tert-b...) Show SMILES Cc1ccc(Nc2ccc(cc2S(=O)(=O)NC(=O)NC(C)(C)C)[N+]([O-])=O)cc1 Show InChI InChI=1S/C18H22N4O5S/c1-12-5-7-13(8-6-12)19-15-10-9-14(22(24)25)11-16(15)28(26,27)21-17(23)20-18(2,3)4/h5-11,19H,1-4H3,(H2,20,21,23)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li&eagrove;ge Curated by PDSP Ki Database									J Pharmacol Exp Ther 313: 293-301 (2005) Article DOI: 10.1124/jpet.104.079301 BindingDB Entry DOI: 10.7270/Q2NV9GVJ
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50188619 (1-(2-(p-toluidino)-5-nitrophenylsulfonyl)-3-tert-b...) Show SMILES Cc1ccc(Nc2ccc(cc2S(=O)(=O)NC(=O)NC(C)(C)C)[N+]([O-])=O)cc1 Show InChI InChI=1S/C18H22N4O5S/c1-12-5-7-13(8-6-12)19-15-10-9-14(22(24)25)11-16(15)28(26,27)21-17(23)20-18(2,3)4/h5-11,19H,1-4H3,(H2,20,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li&eagrove;ge Curated by PDSP Ki Database									J Pharmacol Exp Ther 313: 293-301 (2005) Article DOI: 10.1124/jpet.104.079301 BindingDB Entry DOI: 10.7270/Q2NV9GVJ
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Mus musculus)	BDBM282825 (6-(4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-...) Show SMILES OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C18H12ClFN6O/c19-13-7-11(1-2-14(13)20)17-18(25(5-6-27)10-23-17)15-3-4-16-22-9-12(8-21)26(16)24-15/h1-4,7,9-10,27H,5-6H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research & Development Curated by ChEMBL					Assay Description Inhibition of TGFBR1 in mouse whole blood assessed as apparent inhibition constant by measuring reduction in TGFbeta-induced SMAD phosphorylation				ACS Med Chem Lett 11: 172-178 (2020) Article DOI: 10.1021/acsmedchemlett.9b00552 BindingDB Entry DOI: 10.7270/Q2MP56K3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50167939 (3,4-DNH | 5-Hydroxy Tryptamine | BM 613 | Benzen |...) Show SMILES c1ccccc1 Show InChI InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li&eagrove;ge Curated by PDSP Ki Database									J Pharmacol Exp Ther 313: 293-301 (2005) Article DOI: 10.1124/jpet.104.079301 BindingDB Entry DOI: 10.7270/Q2NV9GVJ
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50167939 (3,4-DNH | 5-Hydroxy Tryptamine | BM 613 | Benzen |...) Show SMILES c1ccccc1 Show InChI InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li&eagrove;ge Curated by PDSP Ki Database									J Pharmacol Exp Ther 313: 293-301 (2005) Article DOI: 10.1124/jpet.104.079301 BindingDB Entry DOI: 10.7270/Q2NV9GVJ
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50167939 (3,4-DNH | 5-Hydroxy Tryptamine | BM 613 | Benzen |...) Show SMILES c1ccccc1 Show InChI InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li&eagrove;ge Curated by PDSP Ki Database									J Pharmacol Exp Ther 313: 293-301 (2005) Article DOI: 10.1124/jpet.104.079301 BindingDB Entry DOI: 10.7270/Q2NV9GVJ
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM86670 (CAS_98299-61-7 | NSC_104927 | SQ 29548) Show SMILES OC(=O)CCCC=CCC1C2CCC(O2)C1CNNC(=O)Nc1ccccc1 |w:7.7,TLB:16:15:11.12:14,THB:8:9:11.12:14| Show InChI InChI=1S/C21H29N3O4/c25-20(26)11-7-2-1-6-10-16-17(19-13-12-18(16)28-19)14-22-24-21(27)23-15-8-4-3-5-9-15/h1,3-6,8-9,16-19,22H,2,7,10-14H2,(H,25,26)(H2,23,24,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li&eagrove;ge Curated by PDSP Ki Database									J Pharmacol Exp Ther 313: 293-301 (2005) Article DOI: 10.1124/jpet.104.079301 BindingDB Entry DOI: 10.7270/Q2NV9GVJ
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50167939 (3,4-DNH | 5-Hydroxy Tryptamine | BM 613 | Benzen |...) Show SMILES c1ccccc1 Show InChI InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li&eagrove;ge Curated by PDSP Ki Database									J Pharmacol Exp Ther 313: 293-301 (2005) Article DOI: 10.1124/jpet.104.079301 BindingDB Entry DOI: 10.7270/Q2NV9GVJ
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM283066 (6-(1-(1-cyanocyclopropyl)-4-(4-fluorophenyl)-1H- i...) Show SMILES Fc1ccc(cc1)-c1ncn(c1-c1ccc2ncc(C#N)n2n1)C1(CC1)C#N Show InChI InChI=1S/C20H12FN7/c21-14-3-1-13(2-4-14)18-19(27(12-25-18)20(11-23)7-8-20)16-5-6-17-24-10-15(9-22)28(17)26-16/h1-6,10,12H,7-8H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.4	25
Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company US Patent					Assay Description Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...				US Patent US9884868 (2018) BindingDB Entry DOI: 10.7270/Q20P122M
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [T204D] (Homo sapiens (Human))	BDBM283066 (6-(1-(1-cyanocyclopropyl)-4-(4-fluorophenyl)-1H- i...) Show SMILES Fc1ccc(cc1)-c1ncn(c1-c1ccc2ncc(C#N)n2n1)C1(CC1)C#N Show InChI InChI=1S/C20H12FN7/c21-14-3-1-13(2-4-14)18-19(27(12-25-18)20(11-23)7-8-20)16-5-6-17-24-10-15(9-22)28(17)26-16/h1-6,10,12H,7-8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin at Madison					Assay Description Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...				J Med Chem 51: 7243-52 (2008) BindingDB Entry DOI: 10.7270/Q2B85BFB
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM283066 (6-(1-(1-cyanocyclopropyl)-4-(4-fluorophenyl)-1H- i...) Show SMILES Fc1ccc(cc1)-c1ncn(c1-c1ccc2ncc(C#N)n2n1)C1(CC1)C#N Show InChI InChI=1S/C20H12FN7/c21-14-3-1-13(2-4-14)18-19(27(12-25-18)20(11-23)7-8-20)16-5-6-17-24-10-15(9-22)28(17)26-16/h1-6,10,12H,7-8H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RJ4NP9
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [T204D] (Homo sapiens (Human))	BDBM282817 (6-(4-(4-fluorophenyl)-1-isopropyl-1H-imidazol-5- y...) Show SMILES CC(C)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H15FN6/c1-12(2)25-11-23-18(13-3-5-14(20)6-4-13)19(25)16-7-8-17-22-10-15(9-21)26(17)24-16/h3-8,10-12H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin at Madison					Assay Description Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...				J Med Chem 51: 7243-52 (2008) BindingDB Entry DOI: 10.7270/Q2B85BFB
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM282914 (6-(4-(3-chloro-4-fluorophenyl)-1-ethyl-1H-imidazol...) Show SMILES CCn1cnc(c1-c1ccc2ncc(C(N)=O)n2c1)-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C19H15ClFN5O/c1-2-25-10-24-17(11-3-5-14(21)13(20)7-11)18(25)12-4-6-16-23-8-15(19(22)27)26(16)9-12/h3-10H,2H2,1H3,(H2,22,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.4	25
Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company US Patent					Assay Description Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...				US Patent US9884868 (2018) BindingDB Entry DOI: 10.7270/Q20P122M
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM282914 (6-(4-(3-chloro-4-fluorophenyl)-1-ethyl-1H-imidazol...) Show SMILES CCn1cnc(c1-c1ccc2ncc(C(N)=O)n2c1)-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C19H15ClFN5O/c1-2-25-10-24-17(11-3-5-14(21)13(20)7-11)18(25)12-4-6-16-23-8-15(19(22)27)26(16)9-12/h3-10H,2H2,1H3,(H2,22,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RJ4NP9
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [T204D] (Homo sapiens (Human))	BDBM396701 (6-(6'-chloro-[2,2'-bipyridin]-3- yl)imidazo[1,2-a]...) Show SMILES NC(=O)c1cnc2ccc(cn12)-c1cccnc1-c1cccc(Cl)n1 Show InChI InChI=1S/C18H12ClN5O/c19-15-5-1-4-13(23-15)17-12(3-2-8-21-17)11-6-7-16-22-9-14(18(20)25)24(16)10-11/h1-10H,(H2,20,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Anadys Pharmaceuticals					Assay Description Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or ...				Bioorg Med Chem Lett 19: 451-8 (2009) BindingDB Entry DOI: 10.7270/Q2Z89FQ8
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM282817 (6-(4-(4-fluorophenyl)-1-isopropyl-1H-imidazol-5- y...) Show SMILES CC(C)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H15FN6/c1-12(2)25-11-23-18(13-3-5-14(20)6-4-13)19(25)16-7-8-17-22-10-15(9-21)26(17)24-16/h3-8,10-12H,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.4	25
Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company US Patent					Assay Description Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...				US Patent US9884868 (2018) BindingDB Entry DOI: 10.7270/Q20P122M
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [T204D] (Homo sapiens (Human))	BDBM282914 (6-(4-(3-chloro-4-fluorophenyl)-1-ethyl-1H-imidazol...) Show SMILES CCn1cnc(c1-c1ccc2ncc(C(N)=O)n2c1)-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C19H15ClFN5O/c1-2-25-10-24-17(11-3-5-14(21)13(20)7-11)18(25)12-4-6-16-23-8-15(19(22)27)26(16)9-12/h3-10H,2H2,1H3,(H2,22,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin at Madison					Assay Description Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...				J Med Chem 51: 7243-52 (2008) BindingDB Entry DOI: 10.7270/Q2B85BFB
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM282817 (6-(4-(4-fluorophenyl)-1-isopropyl-1H-imidazol-5- y...) Show SMILES CC(C)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H15FN6/c1-12(2)25-11-23-18(13-3-5-14(20)6-4-13)19(25)16-7-8-17-22-10-15(9-21)26(17)24-16/h3-8,10-12H,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RJ4NP9
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50188618 (CHEMBL209168 | N-[2-(4-methylphenylamino)-5-nitrob...) Show SMILES Cc1ccc(Nc2ccc(cc2S(=O)(=O)NC(=O)N2CCCCC2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C19H22N4O5S/c1-14-5-7-15(8-6-14)20-17-10-9-16(23(25)26)13-18(17)29(27,28)21-19(24)22-11-3-2-4-12-22/h5-10,13,20H,2-4,11-12H2,1H3,(H,21,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description Displacement of [3H]SQ29,548 from TPalpha receptor (short isoform) expressed in COS7 cells at 1 uM				J Med Chem 49: 3701-9 (2006) Article DOI: 10.1021/jm060108a BindingDB Entry DOI: 10.7270/Q2X63MJT
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [T204D] (Homo sapiens (Human))	BDBM282966 (6-(4-(4-fluorophenyl)-1-isopropyl-1H-imidazol-5- y...) Show SMILES CC(C)n1cnc(c1-c1ccc2ncc(C(N)=O)n2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H18FN5O/c1-12(2)26-11-24-18(13-3-6-15(21)7-4-13)19(26)14-5-8-17-23-9-16(20(22)27)25(17)10-14/h3-12H,1-2H3,(H2,22,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin at Madison					Assay Description Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...				J Med Chem 51: 7243-52 (2008) BindingDB Entry DOI: 10.7270/Q2B85BFB
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [T204D] (Homo sapiens (Human))	BDBM282968 (6-(1-cyclobutyl-4-(4-fluorophenyl)-1H-imidazol-5- ...) Show SMILES NC(=O)c1cnc2ccc(cn12)-c1c(ncn1C1CCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C21H18FN5O/c22-15-7-4-13(5-8-15)19-20(27(12-25-19)16-2-1-3-16)14-6-9-18-24-10-17(21(23)28)26(18)11-14/h4-12,16H,1-3H2,(H2,23,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin at Madison					Assay Description Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...				J Med Chem 51: 7243-52 (2008) BindingDB Entry DOI: 10.7270/Q2B85BFB
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM282966 (6-(4-(4-fluorophenyl)-1-isopropyl-1H-imidazol-5- y...) Show SMILES CC(C)n1cnc(c1-c1ccc2ncc(C(N)=O)n2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H18FN5O/c1-12(2)26-11-24-18(13-3-6-15(21)7-4-13)19(26)14-5-8-17-23-9-16(20(22)27)25(17)10-14/h3-12H,1-2H3,(H2,22,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.4	25
Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company US Patent					Assay Description Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...				US Patent US9884868 (2018) BindingDB Entry DOI: 10.7270/Q20P122M
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM282968 (6-(1-cyclobutyl-4-(4-fluorophenyl)-1H-imidazol-5- ...) Show SMILES NC(=O)c1cnc2ccc(cn12)-c1c(ncn1C1CCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C21H18FN5O/c22-15-7-4-13(5-8-15)19-20(27(12-25-19)16-2-1-3-16)14-6-9-18-24-10-17(21(23)28)26(18)11-14/h4-12,16H,1-3H2,(H2,23,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.4	25
Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company US Patent					Assay Description Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...				US Patent US9884868 (2018) BindingDB Entry DOI: 10.7270/Q20P122M
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [T204D] (Homo sapiens (Human))	BDBM282899 (6-(4-(3-chloro-4-fluorophenyl)-1-(3-fluorocyclobut...) Show SMILES FC1CC(C1)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1 |(-2.83,-5.84,;-1.74,-4.75,;-1.74,-3.21,;-.2,-3.21,;-.2,-4.75,;.88,-2.12,;2.35,-2.6,;3.25,-1.35,;2.35,-.11,;.88,-.58,;-.45,.19,;-.45,1.73,;-1.78,2.5,;-3.12,1.73,;-4.58,2.2,;-5.49,.96,;-4.58,-.29,;-5.06,-1.75,;-5.53,-3.22,;-3.12,.19,;-1.78,-.58,;2.75,1.38,;1.66,2.47,;2.06,3.96,;3.54,4.35,;3.94,5.84,;4.63,3.27,;6.12,3.66,;4.24,1.78,)| Show InChI InChI=1S/C20H13ClF2N6/c21-15-5-11(1-2-16(15)23)19-20(28(10-26-19)13-6-12(22)7-13)17-3-4-18-25-9-14(8-24)29(18)27-17/h1-5,9-10,12-13H,6-7H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin at Madison					Assay Description Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...				J Med Chem 51: 7243-52 (2008) BindingDB Entry DOI: 10.7270/Q2B85BFB
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM282966 (6-(4-(4-fluorophenyl)-1-isopropyl-1H-imidazol-5- y...) Show SMILES CC(C)n1cnc(c1-c1ccc2ncc(C(N)=O)n2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H18FN5O/c1-12(2)26-11-24-18(13-3-6-15(21)7-4-13)19(26)14-5-8-17-23-9-16(20(22)27)25(17)10-14/h3-12H,1-2H3,(H2,22,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RJ4NP9
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM282968 (6-(1-cyclobutyl-4-(4-fluorophenyl)-1H-imidazol-5- ...) Show SMILES NC(=O)c1cnc2ccc(cn12)-c1c(ncn1C1CCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C21H18FN5O/c22-15-7-4-13(5-8-15)19-20(27(12-25-19)16-2-1-3-16)14-6-9-18-24-10-17(21(23)28)26(18)11-14/h4-12,16H,1-3H2,(H2,23,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RJ4NP9
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM282899 (6-(4-(3-chloro-4-fluorophenyl)-1-(3-fluorocyclobut...) Show SMILES FC1CC(C1)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1 |(-2.83,-5.84,;-1.74,-4.75,;-1.74,-3.21,;-.2,-3.21,;-.2,-4.75,;.88,-2.12,;2.35,-2.6,;3.25,-1.35,;2.35,-.11,;.88,-.58,;-.45,.19,;-.45,1.73,;-1.78,2.5,;-3.12,1.73,;-4.58,2.2,;-5.49,.96,;-4.58,-.29,;-5.06,-1.75,;-5.53,-3.22,;-3.12,.19,;-1.78,-.58,;2.75,1.38,;1.66,2.47,;2.06,3.96,;3.54,4.35,;3.94,5.84,;4.63,3.27,;6.12,3.66,;4.24,1.78,)| Show InChI InChI=1S/C20H13ClF2N6/c21-15-5-11(1-2-16(15)23)19-20(28(10-26-19)13-6-12(22)7-13)17-3-4-18-25-9-14(8-24)29(18)27-17/h1-5,9-10,12-13H,6-7H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RJ4NP9
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM282899 (6-(4-(3-chloro-4-fluorophenyl)-1-(3-fluorocyclobut...) Show SMILES FC1CC(C1)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1 |(-2.83,-5.84,;-1.74,-4.75,;-1.74,-3.21,;-.2,-3.21,;-.2,-4.75,;.88,-2.12,;2.35,-2.6,;3.25,-1.35,;2.35,-.11,;.88,-.58,;-.45,.19,;-.45,1.73,;-1.78,2.5,;-3.12,1.73,;-4.58,2.2,;-5.49,.96,;-4.58,-.29,;-5.06,-1.75,;-5.53,-3.22,;-3.12,.19,;-1.78,-.58,;2.75,1.38,;1.66,2.47,;2.06,3.96,;3.54,4.35,;3.94,5.84,;4.63,3.27,;6.12,3.66,;4.24,1.78,)| Show InChI InChI=1S/C20H13ClF2N6/c21-15-5-11(1-2-16(15)23)19-20(28(10-26-19)13-6-12(22)7-13)17-3-4-18-25-9-14(8-24)29(18)27-17/h1-5,9-10,12-13H,6-7H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.4	25
Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company US Patent					Assay Description Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...				US Patent US9884868 (2018) BindingDB Entry DOI: 10.7270/Q20P122M
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50188608 (CHEMBL209306 | N-tert-butyl-N'-[2-(2,6-dimethylphe...) Show SMILES Cc1cccc(C)c1Nc1ccc(cc1S(=O)(=O)NC(=O)NC(C)(C)C)[N+]([O-])=O Show InChI InChI=1S/C19H24N4O5S/c1-12-7-6-8-13(2)17(12)20-15-10-9-14(23(25)26)11-16(15)29(27,28)22-18(24)21-19(3,4)5/h6-11,20H,1-5H3,(H2,21,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM				J Med Chem 49: 3701-9 (2006) Article DOI: 10.1021/jm060108a BindingDB Entry DOI: 10.7270/Q2X63MJT
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50188613 (CHEMBL209134 | N-n-pentyl-N'-[2-(3-methyl-4-bromop...) Show SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Nc1ccc(Br)c(C)c1)[N+]([O-])=O Show InChI InChI=1S/C19H23BrN4O5S/c1-3-4-5-10-21-19(25)23-30(28,29)18-12-15(24(26)27)7-9-17(18)22-14-6-8-16(20)13(2)11-14/h6-9,11-12,22H,3-5,10H2,1-2H3,(H2,21,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
University of Liège Curated by ChEMBL					Assay Description Displacement of [3H]SQ29,548 from TPbeta receptor (long isoform) expressed in COS7 cells at 1 uM				J Med Chem 49: 3701-9 (2006) Article DOI: 10.1021/jm060108a BindingDB Entry DOI: 10.7270/Q2X63MJT
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM282833 (6-(4-(3-chloro-4-fluorophenyl)-1-(2-cylcobutylethy...) Show SMILES Fc1ccc(cc1Cl)-c1ncn(CCC2CCC2)c1-c1ccc2ncc(C#N)n2n1 Show InChI InChI=1S/C22H18ClFN6/c23-17-10-15(4-5-18(17)24)21-22(29(13-27-21)9-8-14-2-1-3-14)19-6-7-20-26-12-16(11-25)30(20)28-19/h4-7,10,12-14H,1-3,8-9H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	25
Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company US Patent					Assay Description Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...				US Patent US9884868 (2018) BindingDB Entry DOI: 10.7270/Q20P122M
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [T204D] (Homo sapiens (Human))	BDBM283030 (6-(4-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethy...) Show SMILES NC(=O)c1cnc2ccc(cn12)-c1c(ncn1CC(F)F)-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C19H13ClF3N5O/c20-12-5-10(1-3-13(12)21)17-18(27(9-26-17)8-15(22)23)11-2-4-16-25-6-14(19(24)29)28(16)7-11/h1-7,9,15H,8H2,(H2,24,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin at Madison					Assay Description Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...				J Med Chem 51: 7243-52 (2008) BindingDB Entry DOI: 10.7270/Q2B85BFB
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [T204D] (Homo sapiens (Human))	BDBM282970 (6-(1-(sec-butyl)-4-(4-fluorophenyl)-1H-imidazol-5-...) Show SMILES CCC(C)n1cnc(c1-c1ccc2ncc(C(N)=O)n2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C21H20FN5O/c1-3-13(2)27-12-25-19(14-4-7-16(22)8-5-14)20(27)15-6-9-18-24-10-17(21(23)28)26(18)11-15/h4-13H,3H2,1-2H3,(H2,23,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin at Madison					Assay Description Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...				J Med Chem 51: 7243-52 (2008) BindingDB Entry DOI: 10.7270/Q2B85BFB
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [T204D] (Homo sapiens (Human))	BDBM282844 (6-(4-(3-chloro-4-fluorophenyl)-1-isopropyl-1H- imi...) Show SMILES CC(C)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C19H14ClFN6/c1-11(2)26-10-24-18(12-3-4-15(21)14(20)7-12)19(26)16-5-6-17-23-9-13(8-22)27(17)25-16/h3-7,9-11H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin at Madison					Assay Description Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...				J Med Chem 51: 7243-52 (2008) BindingDB Entry DOI: 10.7270/Q2B85BFB
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [T204D] (Homo sapiens (Human))	BDBM282947 (6-(4-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroprop...) Show SMILES CC(F)(F)Cn1cnc(c1-c1ccc2ncc(C(N)=O)n2n1)-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C19H14ClF3N6O/c1-19(22,23)8-28-9-26-16(10-2-3-12(21)11(20)6-10)17(28)13-4-5-15-25-7-14(18(24)30)29(15)27-13/h2-7,9H,8H2,1H3,(H2,24,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin at Madison					Assay Description Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...				J Med Chem 51: 7243-52 (2008) BindingDB Entry DOI: 10.7270/Q2B85BFB
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [T204D] (Homo sapiens (Human))	BDBM282963 (6-(1-(1-cyclopropylethyl)-4-(4-fluorophenyl)-1H- i...) Show SMILES CC(C1CC1)n1cnc(c1-c1ccc2ncc(C(N)=O)n2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H20FN5O/c1-13(14-2-3-14)28-12-26-20(15-4-7-17(23)8-5-15)21(28)16-6-9-19-25-10-18(22(24)29)27(19)11-16/h4-14H,2-3H2,1H3,(H2,24,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin at Madison					Assay Description Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...				J Med Chem 51: 7243-52 (2008) BindingDB Entry DOI: 10.7270/Q2B85BFB
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [T204D] (Homo sapiens (Human))	BDBM282820 (6-(4-(4-fluorophenyl)-1-(3- (hydroxymethyl)cyclobu...) Show SMILES OCC1CC(C1)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1 |(-4.26,-4.53,;-2.93,-5.3,;-1.59,-4.53,;-1.19,-3.04,;.29,-3.44,;-.1,-4.93,;1.63,-2.67,;3.09,-3.14,;4,-1.9,;3.09,-.65,;1.63,-1.13,;.29,-.36,;.29,1.18,;-1.04,1.95,;-2.37,1.18,;-3.84,1.66,;-4.74,.41,;-3.84,-.83,;-4.31,-2.3,;-4.79,-3.76,;-2.37,-.36,;-1.04,-1.13,;3.49,.83,;4.98,1.23,;5.38,2.72,;4.29,3.81,;4.69,5.3,;2.8,3.41,;2.4,1.92,)| Show InChI InChI=1S/C21H17FN6O/c22-15-3-1-14(2-4-15)20-21(27(12-25-20)16-7-13(8-16)11-29)18-5-6-19-24-10-17(9-23)28(19)26-18/h1-6,10,12-13,16,29H,7-8,11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin at Madison					Assay Description Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...				J Med Chem 51: 7243-52 (2008) BindingDB Entry DOI: 10.7270/Q2B85BFB
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [T204D] (Homo sapiens (Human))	BDBM282932 (6-(1-(2,2-difluoropropyl)-4-(4-fluorophenyl)-1H- i...) Show SMILES CC(F)(F)Cn1cnc(c1-c1ccc2ncc(C(N)=O)n2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H15F3N6O/c1-19(21,22)9-27-10-25-16(11-2-4-12(20)5-3-11)17(27)13-6-7-15-24-8-14(18(23)29)28(15)26-13/h2-8,10H,9H2,1H3,(H2,23,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin at Madison					Assay Description Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...				J Med Chem 51: 7243-52 (2008) BindingDB Entry DOI: 10.7270/Q2B85BFB
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM283030 (6-(4-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethy...) Show SMILES NC(=O)c1cnc2ccc(cn12)-c1c(ncn1CC(F)F)-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C19H13ClF3N5O/c20-12-5-10(1-3-13(12)21)17-18(27(9-26-17)8-15(22)23)11-2-4-16-25-6-14(19(24)29)28(16)7-11/h1-7,9,15H,8H2,(H2,24,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	25
Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company US Patent					Assay Description Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...				US Patent US9884868 (2018) BindingDB Entry DOI: 10.7270/Q20P122M
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM282932 (6-(1-(2,2-difluoropropyl)-4-(4-fluorophenyl)-1H- i...) Show SMILES CC(F)(F)Cn1cnc(c1-c1ccc2ncc(C(N)=O)n2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H15F3N6O/c1-19(21,22)9-27-10-25-16(11-2-4-12(20)5-3-11)17(27)13-6-7-15-24-8-14(18(23)29)28(15)26-13/h2-8,10H,9H2,1H3,(H2,23,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	25
Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company US Patent					Assay Description Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...				US Patent US9884868 (2018) BindingDB Entry DOI: 10.7270/Q20P122M
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM282947 (6-(4-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroprop...) Show SMILES CC(F)(F)Cn1cnc(c1-c1ccc2ncc(C(N)=O)n2n1)-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C19H14ClF3N6O/c1-19(22,23)8-28-9-26-16(10-2-3-12(21)11(20)6-10)17(28)13-4-5-15-25-7-14(18(24)30)29(15)27-13/h2-7,9H,8H2,1H3,(H2,24,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	25
Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company US Patent					Assay Description Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...				US Patent US9884868 (2018) BindingDB Entry DOI: 10.7270/Q20P122M
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM282963 (6-(1-(1-cyclopropylethyl)-4-(4-fluorophenyl)-1H- i...) Show SMILES CC(C1CC1)n1cnc(c1-c1ccc2ncc(C(N)=O)n2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H20FN5O/c1-13(14-2-3-14)28-12-26-20(15-4-7-17(23)8-5-15)21(28)16-6-9-19-25-10-18(22(24)29)27(19)11-16/h4-14H,2-3H2,1H3,(H2,24,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	25
Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company US Patent					Assay Description Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...				US Patent US9884868 (2018) BindingDB Entry DOI: 10.7270/Q20P122M
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM282970 (6-(1-(sec-butyl)-4-(4-fluorophenyl)-1H-imidazol-5-...) Show SMILES CCC(C)n1cnc(c1-c1ccc2ncc(C(N)=O)n2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C21H20FN5O/c1-3-13(2)27-12-25-19(14-4-7-16(22)8-5-14)20(27)15-6-9-18-24-10-17(21(23)28)26(18)11-15/h4-13H,3H2,1-2H3,(H2,23,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	25
Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company US Patent					Assay Description Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...				US Patent US9884868 (2018) BindingDB Entry DOI: 10.7270/Q20P122M
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM282844 (6-(4-(3-chloro-4-fluorophenyl)-1-isopropyl-1H- imi...) Show SMILES CC(C)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C19H14ClFN6/c1-11(2)26-10-24-18(12-3-4-15(21)14(20)7-12)19(26)16-5-6-17-23-9-13(8-22)27(17)25-16/h3-7,9-11H,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	25
Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company US Patent					Assay Description Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...				US Patent US9884868 (2018) BindingDB Entry DOI: 10.7270/Q20P122M
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM282912 (6-(4-(3-chloro-4-fluorophenyl)-1-ethyl-1H-imidazol...) Show SMILES CCn1cnc(c1-c1ccc2ncc(C(N)=O)n2n1)-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C18H14ClFN6O/c1-2-25-9-23-16(10-3-4-12(20)11(19)7-10)17(25)13-5-6-15-22-8-14(18(21)27)26(15)24-13/h3-9H,2H2,1H3,(H2,21,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	25
Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company US Patent					Assay Description Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...				US Patent US9884868 (2018) BindingDB Entry DOI: 10.7270/Q20P122M
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM282820 (6-(4-(4-fluorophenyl)-1-(3- (hydroxymethyl)cyclobu...) Show SMILES OCC1CC(C1)n1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)cc1 |(-4.26,-4.53,;-2.93,-5.3,;-1.59,-4.53,;-1.19,-3.04,;.29,-3.44,;-.1,-4.93,;1.63,-2.67,;3.09,-3.14,;4,-1.9,;3.09,-.65,;1.63,-1.13,;.29,-.36,;.29,1.18,;-1.04,1.95,;-2.37,1.18,;-3.84,1.66,;-4.74,.41,;-3.84,-.83,;-4.31,-2.3,;-4.79,-3.76,;-2.37,-.36,;-1.04,-1.13,;3.49,.83,;4.98,1.23,;5.38,2.72,;4.29,3.81,;4.69,5.3,;2.8,3.41,;2.4,1.92,)| Show InChI InChI=1S/C21H17FN6O/c22-15-3-1-14(2-4-15)20-21(27(12-25-20)16-7-13(8-16)11-29)18-5-6-19-24-10-17(9-23)28(19)26-18/h1-6,10,12-13,16,29H,7-8,11H2	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	25
Rigel Pharmaceuticals, Inc.; Bristol-Myers Squibb Company US Patent					Assay Description Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...				US Patent US9884868 (2018) BindingDB Entry DOI: 10.7270/Q20P122M
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM283030 (6-(4-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethy...) Show SMILES NC(=O)c1cnc2ccc(cn12)-c1c(ncn1CC(F)F)-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C19H13ClF3N5O/c20-12-5-10(1-3-13(12)21)17-18(27(9-26-17)8-15(22)23)11-2-4-16-25-6-14(19(24)29)28(16)7-11/h1-7,9,15H,8H2,(H2,24,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RJ4NP9
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM282932 (6-(1-(2,2-difluoropropyl)-4-(4-fluorophenyl)-1H- i...) Show SMILES CC(F)(F)Cn1cnc(c1-c1ccc2ncc(C(N)=O)n2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H15F3N6O/c1-19(21,22)9-27-10-25-16(11-2-4-12(20)5-3-11)17(27)13-6-7-15-24-8-14(18(23)29)28(15)26-13/h2-8,10H,9H2,1H3,(H2,23,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assays for the compounds reported below were conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGF-βR1 T204D or...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RJ4NP9
					More data for this Ligand-Target Pair

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