Compile Data Set for Download or QSAR

Found 1833 hits with Last Name = 'darwish' and Initial = 'is'   

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 [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	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))	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 (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 [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	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))	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))	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
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))	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))	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 [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))	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 (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
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))	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 (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	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))	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	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))	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	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))	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	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
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	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))	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	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))	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	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))	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))	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))	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 (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))	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))	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 [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 [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))	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 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))	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 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))	BDBM283007 (6-(1-(2,2-difluoroethyl)-4-(4-fluorophenyl)-1H- im...) Show SMILES CONC(=O)c1cnc2ccc(nn12)-c1c(ncn1CC(F)F)-c1ccc(F)cc1 Show InChI InChI=1S/C19H15F3N6O2/c1-30-26-19(29)14-8-23-16-7-6-13(25-28(14)16)18-17(11-2-4-12(20)5-3-11)24-10-27(18)9-15(21)22/h2-8,10,15H,9H2,1H3,(H,26,29)	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	0.700	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))	BDBM282933 (6-(4-(3-chloro-4-fluorophenyl)-1-(2-hydroyxethyl)-...) Show SMILES NC(=O)c1cnc2ccc(nn12)-c1c(ncn1CCO)-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C18H14ClFN6O2/c19-11-7-10(1-2-12(11)20)16-17(25(5-6-27)9-23-16)13-3-4-15-22-8-14(18(21)28)26(15)24-13/h1-4,7-9,27H,5-6H2,(H2,21,28)	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	0.700	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))	BDBM282930 (6-(4-(4-fluorophenyl)-1-isopropyl-1H-imidazol-5- y...) Show SMILES CC(C)n1cnc(c1-c1ccc2ncc(C(N)=O)n2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H17FN6O/c1-11(2)25-10-23-17(12-3-5-13(20)6-4-12)18(25)14-7-8-16-22-9-15(19(21)27)26(16)24-14/h3-11H,1-2H3,(H2,21,27)	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	0.700	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))	BDBM282907 (6-(1-ethyl-4-(4-fluorophenyl)-1H-imidazol-5- yl)im...) Show SMILES CCn1cnc(c1-c1ccc2ncc(C(N)=O)n2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C18H15FN6O/c1-2-24-10-22-16(11-3-5-12(19)6-4-11)17(24)13-7-8-15-21-9-14(18(20)26)25(15)23-13/h3-10H,2H2,1H3,(H2,20,26)	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	0.700	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))	BDBM282907 (6-(1-ethyl-4-(4-fluorophenyl)-1H-imidazol-5- yl)im...) Show SMILES CCn1cnc(c1-c1ccc2ncc(C(N)=O)n2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C18H15FN6O/c1-2-24-10-22-16(11-3-5-12(19)6-4-11)17(24)13-7-8-15-21-9-14(18(20)26)25(15)23-13/h3-10H,2H2,1H3,(H2,20,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	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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