Compile Data Set for Download or QSAR

Found 4170 hits with Last Name = 'borzilleri' and Initial = 'rm'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM412734 (N-(3-fluoropyridin-4-yl)-2-(6-methylpyridin-2-yl)-...) Show SMILES Cc1cccc(n1)-c1nc(Nc2ccncc2F)c2cc[nH]c2n1 Show InChI InChI=1S/C17H13FN6/c1-10-3-2-4-14(21-10)17-23-15-11(5-8-20-15)16(24-17)22-13-6-7-19-9-12(13)18/h2-9H,1H3,(H2,19,20,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase UniChem	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human His-tagged TGFbetaR1 T204D mutant expressed in Sf9 insect cells after 1 hr by HTRF assay				Bioorg Med Chem 26: 1026-1034 (2018) Article DOI: 10.1016/j.bmc.2018.01.014 BindingDB Entry DOI: 10.7270/Q27M0BHV
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50454871 (CHEMBL4209835) Show SMILES Cc1cccc(n1)-c1nc(Nc2ccncc2F)c2nc[nH]c2n1 Show InChI InChI=1S/C16H12FN7/c1-9-3-2-4-12(21-9)14-23-15-13(19-8-20-15)16(24-14)22-11-5-6-18-7-10(11)17/h2-8H,1H3,(H2,18,19,20,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human His-tagged TGFbetaR1 T204D mutant expressed in Sf9 insect cells after 1 hr by HTRF assay				Bioorg Med Chem 26: 1026-1034 (2018) Article DOI: 10.1016/j.bmc.2018.01.014 BindingDB Entry DOI: 10.7270/Q27M0BHV
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM412755 (N-(4-((2-(6-(trifluoromethyl)pyridin-2-yl)-7H-pyrr...) Show SMILES CC(=O)Nc1cc(Nc2nc(nc3[nH]ccc23)-c2cccc(n2)C(F)(F)F)ccn1 Show InChI InChI=1S/C19H14F3N7O/c1-10(30)25-15-9-11(5-7-23-15)26-17-12-6-8-24-16(12)28-18(29-17)13-3-2-4-14(27-13)19(20,21)22/h2-9H,1H3,(H3,23,24,25,26,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human His-tagged TGFbetaR1 T204D mutant expressed in Sf9 insect cells after 1 hr by HTRF assay				Bioorg Med Chem 26: 1026-1034 (2018) Article DOI: 10.1016/j.bmc.2018.01.014 BindingDB Entry DOI: 10.7270/Q27M0BHV
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM412745 (N-(3-fluoropyridin-4-yl)-2-(6-(trifluoromethyl)pyr...) Show SMILES Fc1cnccc1Nc1nc(nc2[nH]ccc12)-c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C17H10F4N6/c18-10-8-22-6-5-11(10)25-15-9-4-7-23-14(9)26-16(27-15)12-2-1-3-13(24-12)17(19,20)21/h1-8H,(H2,22,23,25,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PDB UniChem	PDB Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human His-tagged TGFbetaR1 T204D mutant expressed in Sf9 insect cells after 1 hr by HTRF assay				Bioorg Med Chem 26: 1026-1034 (2018) Article DOI: 10.1016/j.bmc.2018.01.014 BindingDB Entry DOI: 10.7270/Q27M0BHV
					More data for this Ligand-Target Pair				3D Structure (crystal)
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)
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)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50184807 ((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...) Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against VEGFR2				J Med Chem 49: 2143-6 (2006) Article DOI: 10.1021/jm051106d BindingDB Entry DOI: 10.7270/Q2WW7H7N
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50184807 ((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...) Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against VEGFR2				J Med Chem 49: 2143-6 (2006) Article DOI: 10.1021/jm051106d BindingDB Entry DOI: 10.7270/Q2WW7H7N
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Mus musculus)	BDBM50184807 ((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...) Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against Flk1				J Med Chem 49: 2143-6 (2006) Article DOI: 10.1021/jm051106d BindingDB Entry DOI: 10.7270/Q2WW7H7N
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM50184807 ((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...) Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against VEGFR1				J Med Chem 49: 2143-6 (2006) Article DOI: 10.1021/jm051106d BindingDB Entry DOI: 10.7270/Q2WW7H7N
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249161 (US9453048, 2) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1CCCC1C(=O)N[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C61H79N9O8/c1-37(62-6)54(71)67-50(59(76)69-32-14-23-51(69)57(74)65-48-21-12-17-41-15-8-10-19-46(41)48)33-39-26-30-45(31-27-39)78-36-40-24-28-43(29-25-40)56(73)64-44-34-52(58(75)66-49-22-13-18-42-16-9-11-20-47(42)49)70(35-44)60(77)53(61(3,4)5)68-55(72)38(2)63-7/h8-11,15-16,19-20,24-31,37-38,44,48-53,62-63H,12-14,17-18,21-23,32-36H2,1-7H3,(H,64,73)(H,65,74)(H,66,75)(H,67,71)(H,68,72)/t37-,38-,44?,48+,49?,50-,51?,52-,53+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249163 (US9453048, 4) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1CC=CCC1C(=O)N[C@@H]1CCCc2ccccc12 |r,c:67| Show InChI InChI=1S/C62H79N9O8/c1-38(63-6)55(72)68-51(60(77)70-33-13-12-24-52(70)58(75)66-49-22-14-18-42-16-8-10-20-47(42)49)34-40-27-31-46(32-28-40)79-37-41-25-29-44(30-26-41)57(74)65-45-35-53(59(76)67-50-23-15-19-43-17-9-11-21-48(43)50)71(36-45)61(78)54(62(3,4)5)69-56(73)39(2)64-7/h8-13,16-17,20-21,25-32,38-39,45,49-54,63-64H,14-15,18-19,22-24,33-37H2,1-7H3,(H,65,74)(H,66,75)(H,67,76)(H,68,72)(H,69,73)/t38-,39-,45?,49+,50?,51-,52?,53-,54+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249167 (US9453048, 9) Show SMILES CN[C@@H](C)C(=O)NC(Cc1ccc(OCc2ccc(cc2)C(=O)N[C@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)C1CC=CC[C@H]1C(=O)NC1CCCc2ccccc12 |r,c:67| Show InChI InChI=1S/C63H80N8O8/c1-38(64-6)57(73)69-53(55(72)49-22-12-13-23-50(49)60(76)67-51-24-14-18-42-16-8-10-20-47(42)51)34-40-28-32-46(33-29-40)79-37-41-26-30-44(31-27-41)59(75)66-45-35-54(61(77)68-52-25-15-19-43-17-9-11-21-48(43)52)71(36-45)62(78)56(63(3,4)5)70-58(74)39(2)65-7/h8-13,16-17,20-21,26-33,38-39,45,49-54,56,64-65H,14-15,18-19,22-25,34-37H2,1-7H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t38-,39-,45-,49?,50+,51?,52?,53?,54-,56+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249169 (US9453048, 11 | US9453048, 12) Show SMILES CN[C@@H](C)C(=O)NC(Cc1ccc(OCc2ccc(cc2)C(=O)N[C@H]2CC(N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)cc1)C(=O)C1CCCC[C@@H]1C(=O)NC1CCCc2ccccc12 |r| Show InChI InChI=1S/C63H82N8O8/c1-38(64-6)57(73)69-53(55(72)49-22-12-13-23-50(49)60(76)67-51-24-14-18-42-16-8-10-20-47(42)51)34-40-28-32-46(33-29-40)79-37-41-26-30-44(31-27-41)59(75)66-45-35-54(61(77)68-52-25-15-19-43-17-9-11-21-48(43)52)71(36-45)62(78)56(63(3,4)5)70-58(74)39(2)65-7/h8-11,16-17,20-21,26-33,38-39,45,49-54,56,64-65H,12-15,18-19,22-25,34-37H2,1-7H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t38-,39-,45-,49?,50-,51?,52+,53?,54?,56+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50168389 (CHEMBL195218 | [4-(2,4-Difluoro-5-methoxycarbamoyl...) Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(NC(=O)OCCCS(C)(=O)=O)c(C(C)C)c23)c(F)cc1F Show InChI InChI=1S/C22H26F2N6O6S/c1-12(2)18-17(28-22(32)36-6-5-7-37(4,33)34)10-30-19(18)20(25-11-26-30)27-16-8-13(21(31)29-35-3)14(23)9-15(16)24/h8-12H,5-7H2,1-4H3,(H,28,32)(H,29,31)(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0620	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human vascular endothelial growth factor receptor 2 (VEGFR-2)				J Med Chem 48: 3991-4008 (2005) Article DOI: 10.1021/jm0501275 BindingDB Entry DOI: 10.7270/Q2KP81QN
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249174 (US9453048, 16) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](CC1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(COc2ccc(CN(NC(=O)[C@H](C)NC)C(=O)[C@H]3CCCC[C@H]3C(=O)NC3CCCc4ccccc34)cc2)cc1)C(C)(C)C |r| Show InChI InChI=1S/C62H81N9O8/c1-38(63-6)55(72)68-54(62(3,4)5)61(78)70-36-45(34-53(70)59(76)67-52-25-15-19-43-17-9-11-21-48(43)52)65-57(74)44-30-26-41(27-31-44)37-79-46-32-28-40(29-33-46)35-71(69-56(73)39(2)64-7)60(77)50-23-13-12-22-49(50)58(75)66-51-24-14-18-42-16-8-10-20-47(42)51/h8-11,16-17,20-21,26-33,38-39,45,49-54,63-64H,12-15,18-19,22-25,34-37H2,1-7H3,(H,65,74)(H,66,75)(H,67,76)(H,68,72)(H,69,73)/t38-,39-,45-,49+,50-,51?,52+,53?,54+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249172 (US9453048, 14) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](CC1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(COc2ccc(CN(NC(=O)[C@H](C)NC)C(=O)C3CCC[C@@H]3C(=O)NC3CCCc4ccccc34)cc2)cc1)C(C)(C)C |r| Show InChI InChI=1S/C61H79N9O8/c1-37(62-6)54(71)67-53(61(3,4)5)60(77)69-35-44(33-52(69)58(75)66-51-24-13-18-42-16-9-11-20-47(42)51)64-56(73)43-29-25-40(26-30-43)36-78-45-31-27-39(28-32-45)34-70(68-55(72)38(2)63-7)59(76)49-22-14-21-48(49)57(74)65-50-23-12-17-41-15-8-10-19-46(41)50/h8-11,15-16,19-20,25-32,37-38,44,48-53,62-63H,12-14,17-18,21-24,33-36H2,1-7H3,(H,64,73)(H,65,74)(H,66,75)(H,67,71)(H,68,72)/t37-,38-,44-,48-,49?,50?,51+,52?,53+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249162 (US9453048, 3) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1CCCCC1C(=O)N[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C62H81N9O8/c1-38(63-6)55(72)68-51(60(77)70-33-13-12-24-52(70)58(75)66-49-22-14-18-42-16-8-10-20-47(42)49)34-40-27-31-46(32-28-40)79-37-41-25-29-44(30-26-41)57(74)65-45-35-53(59(76)67-50-23-15-19-43-17-9-11-21-48(43)50)71(36-45)61(78)54(62(3,4)5)69-56(73)39(2)64-7/h8-11,16-17,20-21,25-32,38-39,45,49-54,63-64H,12-15,18-19,22-24,33-37H2,1-7H3,(H,65,74)(H,66,75)(H,67,76)(H,68,72)(H,69,73)/t38-,39-,45?,49+,50?,51-,52?,53-,54+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249168 (US9453048, 10) Show SMILES CN[C@@H](C)C(=O)NC(Cc1ccc(OCc2ccc(cc2)C(=O)N[C@H]2CC(N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)cc1)C(=O)C1CC=CC[C@@H]1C(=O)NC1CCCc2ccccc12 |r,c:67| Show InChI InChI=1S/C63H80N8O8/c1-38(64-6)57(73)69-53(55(72)49-22-12-13-23-50(49)60(76)67-51-24-14-18-42-16-8-10-20-47(42)51)34-40-28-32-46(33-29-40)79-37-41-26-30-44(31-27-41)59(75)66-45-35-54(61(77)68-52-25-15-19-43-17-9-11-21-48(43)52)71(36-45)62(78)56(63(3,4)5)70-58(74)39(2)65-7/h8-13,16-17,20-21,26-33,38-39,45,49-54,56,64-65H,14-15,18-19,22-25,34-37H2,1-7H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t38-,39-,45-,49?,50-,51?,52+,53?,54?,56+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249160 (US9453048, 1) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OCc2ccc(cc2)C(=O)N[C@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC1CCCc2ccccc12 |r| Show InChI InChI=1S/C66H81N9O8/c1-40(67-6)59(76)72-55(64(81)74-37-48-19-9-8-18-47(48)35-56(74)62(79)70-53-24-14-20-44-16-10-12-22-51(44)53)34-42-28-32-50(33-29-42)83-39-43-26-30-46(31-27-43)61(78)69-49-36-57(63(80)71-54-25-15-21-45-17-11-13-23-52(45)54)75(38-49)65(82)58(66(3,4)5)73-60(77)41(2)68-7/h8-13,16-19,22-23,26-33,40-41,49,53-58,67-68H,14-15,20-21,24-25,34-39H2,1-7H3,(H,69,78)(H,70,79)(H,71,80)(H,72,76)(H,73,77)/t40-,41-,49-,53?,54?,55-,56-,57-,58+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249166 (US9453048, 7) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(NCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C66H82N10O7/c1-40(67-6)59(77)73-55(64(82)75-38-48-19-9-8-18-47(48)35-56(75)62(80)71-53-24-14-20-44-16-10-12-22-51(44)53)34-42-28-32-49(33-29-42)69-37-43-26-30-46(31-27-43)61(79)70-50-36-57(63(81)72-54-25-15-21-45-17-11-13-23-52(45)54)76(39-50)65(83)58(66(3,4)5)74-60(78)41(2)68-7/h8-13,16-19,22-23,26-33,40-41,50,53-58,67-69H,14-15,20-21,24-25,34-39H2,1-7H3,(H,70,79)(H,71,80)(H,72,81)(H,73,77)(H,74,78)/t40-,41-,50?,53+,54?,55-,56?,57-,58+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249165 (US9453048, 6) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(Oc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C65H79N9O8/c1-39(66-6)58(75)71-54(63(80)73-37-46-19-9-8-18-45(46)35-55(73)61(78)69-52-24-14-20-42-16-10-12-22-50(42)52)34-41-26-30-48(31-27-41)82-49-32-28-44(29-33-49)60(77)68-47-36-56(62(79)70-53-25-15-21-43-17-11-13-23-51(43)53)74(38-47)64(81)57(65(3,4)5)72-59(76)40(2)67-7/h8-13,16-19,22-23,26-33,39-40,47,52-57,66-67H,14-15,20-21,24-25,34-38H2,1-7H3,(H,68,77)(H,69,78)(H,70,79)(H,71,75)(H,72,76)/t39-,40-,47?,52+,53?,54-,55?,56-,57+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249171 (US9453048, 13 | US9453048, 15) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](CC1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(COc2ccc(CN(NC(=O)[C@H](C)NC)C(=O)C3CCC[C@H]3C(=O)NC3CCCc4ccccc34)cc2)cc1)C(C)(C)C |r| Show InChI InChI=1S/C61H79N9O8/c1-37(62-6)54(71)67-53(61(3,4)5)60(77)69-35-44(33-52(69)58(75)66-51-24-13-18-42-16-9-11-20-47(42)51)64-56(73)43-29-25-40(26-30-43)36-78-45-31-27-39(28-32-45)34-70(68-55(72)38(2)63-7)59(76)49-22-14-21-48(49)57(74)65-50-23-12-17-41-15-8-10-19-46(41)50/h8-11,15-16,19-20,25-32,37-38,44,48-53,62-63H,12-14,17-18,21-24,33-36H2,1-7H3,(H,64,73)(H,65,74)(H,66,75)(H,67,71)(H,68,72)/t37-,38-,44-,48+,49?,50?,51+,52?,53+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249164 (US9453048, 5) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OCc2ccc(C(=O)NC3C[C@H](N(C3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC3CCCc4ccccc34)c(F)c2)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C66H80FN9O8/c1-39(68-6)59(77)73-55(64(82)75-36-46-19-9-8-18-45(46)34-56(75)62(80)71-53-24-14-20-43-16-10-12-22-49(43)53)33-41-26-29-48(30-27-41)84-38-42-28-31-51(52(67)32-42)61(79)70-47-35-57(63(81)72-54-25-15-21-44-17-11-13-23-50(44)54)76(37-47)65(83)58(66(3,4)5)74-60(78)40(2)69-7/h8-13,16-19,22-23,26-32,39-40,47,53-58,68-69H,14-15,20-21,24-25,33-38H2,1-7H3,(H,70,79)(H,71,80)(H,72,81)(H,73,77)(H,74,78)/t39-,40-,47?,53+,54?,55-,56?,57-,58+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249178 (US9453048, 20) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(\C=C\c2ccc(cc2)C(=O)NC2CC(N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C67H81N9O7/c1-41(68-6)60(77)73-56(65(82)75-39-50-19-9-8-18-49(50)37-57(75)63(80)71-54-24-14-20-46-16-10-12-22-52(46)54)36-45-30-28-43(29-31-45)26-27-44-32-34-48(35-33-44)62(79)70-51-38-58(64(81)72-55-25-15-21-47-17-11-13-23-53(47)55)76(40-51)66(83)59(67(3,4)5)74-61(78)42(2)69-7/h8-13,16-19,22-23,26-35,41-42,51,54-59,68-69H,14-15,20-21,24-25,36-40H2,1-7H3,(H,70,79)(H,71,80)(H,72,81)(H,73,77)(H,74,78)/b27-26+/t41-,42-,51?,54+,55+,56-,57?,58?,59+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM406730 (N-[4-({2-[6-(difluoromethyl)pyridin-2-yl]pyrrolo[2...) Show SMILES CC(=O)Nc1cc(Nc2nc(nn3cccc23)-c2cccc(n2)C(F)F)ccn1 Show InChI InChI=1S/C19H15F2N7O/c1-11(29)23-16-10-12(7-8-22-16)24-19-15-6-3-9-28(15)27-18(26-19)14-5-2-4-13(25-14)17(20)21/h2-10,17H,1H3,(H2,22,23,24,26,27,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. US Patent					Assay Description Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...				US Patent US10336761 (2019) BindingDB Entry DOI: 10.7270/Q2M90C2R
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM406730 (N-[4-({2-[6-(difluoromethyl)pyridin-2-yl]pyrrolo[2...) Show SMILES CC(=O)Nc1cc(Nc2nc(nn3cccc23)-c2cccc(n2)C(F)F)ccn1 Show InChI InChI=1S/C19H15F2N7O/c1-11(29)23-16-10-12(7-8-22-16)24-19-15-6-3-9-28(15)27-18(26-19)14-5-2-4-13(25-14)17(20)21/h2-10,17H,1H3,(H2,22,23,24,26,27,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. US Patent					Assay Description Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...				US Patent US10336761 (2019) BindingDB Entry DOI: 10.7270/Q2M90C2R
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249177 (US9453048, 19) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(CCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC1CCCc2ccccc12 |r| Show InChI InChI=1S/C67H83N9O7/c1-41(68-6)60(77)73-56(65(82)75-39-50-19-9-8-18-49(50)37-57(75)63(80)71-54-24-14-20-46-16-10-12-22-52(46)54)36-45-30-28-43(29-31-45)26-27-44-32-34-48(35-33-44)62(79)70-51-38-58(64(81)72-55-25-15-21-47-17-11-13-23-53(47)55)76(40-51)66(83)59(67(3,4)5)74-61(78)42(2)69-7/h8-13,16-19,22-23,28-35,41-42,51,54-59,68-69H,14-15,20-21,24-27,36-40H2,1-7H3,(H,70,79)(H,71,80)(H,72,81)(H,73,77)(H,74,78)/t41-,42-,51?,54?,55?,56-,57-,58-,59+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [124-240] (Homo sapiens (Human))	BDBM249163 (US9453048, 4) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1CC=CCC1C(=O)N[C@@H]1CCCc2ccccc12 |r,c:67| Show InChI InChI=1S/C62H79N9O8/c1-38(63-6)55(72)68-51(60(77)70-33-13-12-24-52(70)58(75)66-49-22-14-18-42-16-8-10-20-47(42)49)34-40-27-31-46(32-28-40)79-37-41-25-29-44(30-26-41)57(74)65-45-35-53(59(76)67-50-23-15-19-43-17-9-11-21-48(43)50)71(36-45)61(78)54(62(3,4)5)69-56(73)39(2)64-7/h8-13,16-17,20-21,25-32,38-39,45,49-54,63-64H,14-15,18-19,22-24,33-37H2,1-7H3,(H,65,74)(H,66,75)(H,67,76)(H,68,72)(H,69,73)/t38-,39-,45?,49+,50?,51-,52?,53-,54+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249176 (US9453048, 18) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(CCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N(C)C1CCCc2ccccc12 |r| Show InChI InChI=1S/C68H85N9O7/c1-42(69-6)61(78)73-56(65(82)76-40-51-20-10-9-19-50(51)38-59(76)66(83)75(8)57-26-16-22-48-18-12-14-24-54(48)57)37-46-31-29-44(30-32-46)27-28-45-33-35-49(36-34-45)63(80)71-52-39-58(64(81)72-55-25-15-21-47-17-11-13-23-53(47)55)77(41-52)67(84)60(68(3,4)5)74-62(79)43(2)70-7/h9-14,17-20,23-24,29-36,42-43,52,55-60,69-70H,15-16,21-22,25-28,37-41H2,1-8H3,(H,71,80)(H,72,81)(H,73,78)(H,74,79)/t42-,43-,52?,55?,56-,57?,58-,59-,60+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249171 (US9453048, 13 | US9453048, 15) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](CC1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(COc2ccc(CN(NC(=O)[C@H](C)NC)C(=O)C3CCC[C@H]3C(=O)NC3CCCc4ccccc34)cc2)cc1)C(C)(C)C |r| Show InChI InChI=1S/C61H79N9O8/c1-37(62-6)54(71)67-53(61(3,4)5)60(77)69-35-44(33-52(69)58(75)66-51-24-13-18-42-16-9-11-20-47(42)51)64-56(73)43-29-25-40(26-30-43)36-78-45-31-27-39(28-32-45)34-70(68-55(72)38(2)63-7)59(76)49-22-14-21-48(49)57(74)65-50-23-12-17-41-15-8-10-19-46(41)50/h8-11,15-16,19-20,25-32,37-38,44,48-53,62-63H,12-14,17-18,21-24,33-36H2,1-7H3,(H,64,73)(H,65,74)(H,66,75)(H,67,71)(H,68,72)/t37-,38-,44-,48+,49?,50?,51+,52?,53+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249169 (US9453048, 11 | US9453048, 12) Show SMILES CN[C@@H](C)C(=O)NC(Cc1ccc(OCc2ccc(cc2)C(=O)N[C@H]2CC(N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)cc1)C(=O)C1CCCC[C@@H]1C(=O)NC1CCCc2ccccc12 |r| Show InChI InChI=1S/C63H82N8O8/c1-38(64-6)57(73)69-53(55(72)49-22-12-13-23-50(49)60(76)67-51-24-14-18-42-16-8-10-20-47(42)51)34-40-28-32-46(33-29-40)79-37-41-26-30-44(31-27-41)59(75)66-45-35-54(61(77)68-52-25-15-19-43-17-9-11-21-48(43)52)71(36-45)62(78)56(63(3,4)5)70-58(74)39(2)65-7/h8-11,16-17,20-21,26-33,38-39,45,49-54,56,64-65H,12-15,18-19,22-25,34-37H2,1-7H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t38-,39-,45-,49?,50-,51?,52+,53?,54?,56+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D] (Homo sapiens (Human))	BDBM412768 (N-(3-fluoropyridin-4-yl)-5-methyl-2-(6-methylpyrid...) Show SMILES Cc1c[nH]c2nc(nc(Nc3ccncc3F)c12)-c1cccc(C)n1 Show InChI InChI=1S/C18H15FN6/c1-10-8-21-17-15(10)18(23-13-6-7-20-9-12(13)19)25-16(24-17)14-5-3-4-11(2)22-14/h3-9H,1-2H3,(H2,20,21,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myer Squibb Company US Patent					Assay Description Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...				US Patent US10399987 (2019) BindingDB Entry DOI: 10.7270/Q2222X4N
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM406951 (1-({[2-(5-fluoropyridin-2-yl)-4-[(3-fluoropyridin-...) Show SMILES CC(C)(O)CNCc1ccn2nc(nc(Nc3ccncc3F)c12)-c1ccc(F)cn1 Show InChI InChI=1S/C21H21F2N7O/c1-21(2,31)12-25-9-13-6-8-30-18(13)20(27-16-5-7-24-11-15(16)23)28-19(29-30)17-4-3-14(22)10-26-17/h3-8,10-11,25,31H,9,12H2,1-2H3,(H,24,27,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.25	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. US Patent					Assay Description Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...				US Patent US10336761 (2019) BindingDB Entry DOI: 10.7270/Q2M90C2R
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D] (Homo sapiens (Human))	BDBM412735 (2-(6-(difluoromethyl)pyridin-2-yl)-N-(3-fluoropyri...) Show SMILES FC(F)c1cccc(n1)-c1nc(Nc2ccncc2F)c2cc[nH]c2n1 Show InChI InChI=1S/C17H11F3N6/c18-10-8-21-6-5-11(10)24-16-9-4-7-22-15(9)25-17(26-16)13-3-1-2-12(23-13)14(19)20/h1-8,14H,(H2,21,22,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myer Squibb Company US Patent					Assay Description Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...				US Patent US10399987 (2019) BindingDB Entry DOI: 10.7270/Q2222X4N
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM407009 (N-(4-{[5-(morpholin-4-ylmethyl)-2-(pyridin-2-yl)py...) Show SMILES CC(=O)Nc1cc(Nc2nc(nn3ccc(CN4CCOCC4)c23)-c2ccccn2)ccn1 Show InChI InChI=1S/C23H24N8O2/c1-16(32)26-20-14-18(5-8-25-20)27-23-21-17(15-30-10-12-33-13-11-30)6-9-31(21)29-22(28-23)19-4-2-3-7-24-19/h2-9,14H,10-13,15H2,1H3,(H2,25,26,27,28,29,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. US Patent					Assay Description Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...				US Patent US10336761 (2019) BindingDB Entry DOI: 10.7270/Q2M90C2R
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM407012 ((3-{[({4-[(3-fluoropyridin-4-yl)amino]-2-(pyridin-...) Show SMILES OCC1(CNCc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccccn2)COC1 Show InChI InChI=1S/C22H22FN7O2/c23-16-10-24-7-4-17(16)27-21-19-15(9-25-11-22(12-31)13-32-14-22)5-8-30(19)29-20(28-21)18-3-1-2-6-26-18/h1-8,10,25,31H,9,11-14H2,(H,24,27,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.25	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. US Patent					Assay Description Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...				US Patent US10336761 (2019) BindingDB Entry DOI: 10.7270/Q2M90C2R
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM406793 (N-{5-[(4,4-difluoropiperidin-1-yl)methyl]-2-(6-met...) Show SMILES Cc1cccc(n1)-c1nc(Nc2ccncc2F)c2c(CN3CCC(F)(F)CC3)ccn2n1 Show InChI InChI=1S/C23H22F3N7/c1-15-3-2-4-19(28-15)21-30-22(29-18-5-9-27-13-17(18)24)20-16(6-10-33(20)31-21)14-32-11-7-23(25,26)8-12-32/h2-6,9-10,13H,7-8,11-12,14H2,1H3,(H,27,29,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. US Patent					Assay Description Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...				US Patent US10336761 (2019) BindingDB Entry DOI: 10.7270/Q2M90C2R
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D] (Homo sapiens (Human))	BDBM412743 (N-(3-fluoropyridin-4-yl)-2-(pyridin-2-yl)-7H-pyrro...) Show SMILES Fc1cnccc1Nc1nc(nc2[nH]ccc12)-c1ccccn1 Show InChI InChI=1S/C16H11FN6/c17-11-9-18-7-5-12(11)21-15-10-4-8-20-14(10)22-16(23-15)13-3-1-2-6-19-13/h1-9H,(H2,18,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myer Squibb Company US Patent					Assay Description Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...				US Patent US10399987 (2019) BindingDB Entry DOI: 10.7270/Q2222X4N
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM406957 (3-fluoro-N-(5-{[(1-methylcyclobutyl)amino]methyl}-...) Show SMILES CC1(CNCc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccccn2)CCC1 Show InChI InChI=1S/C23H24FN7/c1-23(8-4-9-23)15-26-13-16-7-12-31-20(16)22(28-18-6-11-25-14-17(18)24)29-21(30-31)19-5-2-3-10-27-19/h2-3,5-7,10-12,14,26H,4,8-9,13,15H2,1H3,(H,25,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. US Patent					Assay Description Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...				US Patent US10336761 (2019) BindingDB Entry DOI: 10.7270/Q2M90C2R
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [241-356] (Homo sapiens (Human))	BDBM249175 (US9453048, 17) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](CC1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(COc2ccc(CN(NC(=O)[C@H](C)NC)C(=O)[C@@H]3CCCC[C@H]3C(=O)NC3CCCc4ccccc34)cc2)cc1)C(C)(C)C |r| Show InChI InChI=1S/C62H81N9O8/c1-38(63-6)55(72)68-54(62(3,4)5)61(78)70-36-45(34-53(70)59(76)67-52-25-15-19-43-17-9-11-21-48(43)52)65-57(74)44-30-26-41(27-31-44)37-79-46-32-28-40(29-33-46)35-71(69-56(73)39(2)64-7)60(77)50-23-13-12-22-49(50)58(75)66-51-24-14-18-42-16-8-10-20-47(42)51/h8-11,16-17,20-21,26-33,38-39,45,49-54,63-64H,12-15,18-19,22-25,34-37H2,1-7H3,(H,65,74)(H,66,75)(H,67,76)(H,68,72)(H,69,73)/t38-,39-,45-,49+,50+,51?,52+,53?,54+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...				US Patent US9453048 (2016) BindingDB Entry DOI: 10.7270/Q2057DV5
					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
Baculoviral IAP repeat-containing protein 2/E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM312982 (US9605022, Example 15) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@@H]3CCN([C@@H]3C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@H](C(=O)OC)c3ccc(OCc4cn2nn4)cc3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc1)C#N)C(C)(C)C |r| Show InChI InChI=1S/C80H95N17O12/c1-46(82-9)70(98)88-68(79(3,4)5)76(104)94-34-32-63-66(94)74(102)85-61(39-49-20-24-51-16-12-14-18-54(51)36-49)72(100)84-56(41-81)38-48-22-28-59(29-23-48)108-44-57-42-96(92-90-57)64-33-35-95(77(105)69(80(6,7)8)89-71(99)47(2)83-10)67(64)75(103)86-62(40-50-21-25-52-17-13-15-19-55(52)37-50)73(101)87-65(78(106)107-11)53-26-30-60(31-27-53)109-45-58-43-97(63)93-91-58/h12-31,36-37,42-43,46-47,56,61-69,82-83H,32-35,38-40,44-45H2,1-11H3,(H,84,100)(H,85,102)(H,86,103)(H,87,101)(H,88,98)(H,89,99)/t46-,47-,56-,61-,62-,63+,64+,65-,66?,67-,68+,69+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Ensemble Therapeutics Corporation US Patent					Assay Description Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of His-BIR2-3 (125-356, C...				US Patent US9605022 (2017) BindingDB Entry DOI: 10.7270/Q2959KMN
					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))	BDBM407043 (2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-({2-[6-(tri...) Show SMILES O[C@@H]1CCN(CC(=O)Nc2cc(Nc3nc(nn4cccc34)-c3cccc(n3)C(F)(F)F)ccn2)C1 |r| Show InChI InChI=1S/C23H21F3N8O2/c24-23(25,26)18-5-1-3-16(29-18)21-31-22(17-4-2-9-34(17)32-21)28-14-6-8-27-19(11-14)30-20(36)13-33-10-7-15(35)12-33/h1-6,8-9,11,15,35H,7,10,12-13H2,(H2,27,28,30,31,32,36)/t15-/m1/s1	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
Bristol-Myers Squibb Co. US Patent					Assay Description Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...				US Patent US10336761 (2019) BindingDB Entry DOI: 10.7270/Q2M90C2R
					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))	BDBM407051 (N-[4-({2-[6-(trifluoromethyl)pyridin-2-yl]pyrrolo[...) Show SMILES FC(F)(F)c1cccc(n1)-c1nc(Nc2ccnc(NC(=O)C3CC3)c2)c2cccn2n1 Show InChI InChI=1S/C21H16F3N7O/c22-21(23,24)16-5-1-3-14(27-16)18-29-19(15-4-2-10-31(15)30-18)26-13-8-9-25-17(11-13)28-20(32)12-6-7-12/h1-5,8-12H,6-7H2,(H2,25,26,28,29,30,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. US Patent					Assay Description Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...				US Patent US10336761 (2019) BindingDB Entry DOI: 10.7270/Q2M90C2R
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D] (Homo sapiens (Human))	BDBM412766 (N-(4-((2-(6-(difluoromethyl)pyridin-2-yl)-7H-pyrro...) Show SMILES CC(=O)Nc1nccc(Nc2nc(nc3[nH]ccc23)-c2cccc(n2)C(F)F)c1F Show InChI InChI=1S/C19H14F3N7O/c1-9(30)25-19-14(20)11(6-8-24-19)27-17-10-5-7-23-16(10)28-18(29-17)13-4-2-3-12(26-13)15(21)22/h2-8,15H,1H3,(H3,23,24,25,27,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myer Squibb Company US Patent					Assay Description Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...				US Patent US10399987 (2019) BindingDB Entry DOI: 10.7270/Q2222X4N
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM406787 (3-chloro-N-[2-(6-fluoropyridin-2-yl)pyrrolo[2,1-f]...) Show SMILES Fc1cccc(n1)-c1nc(Nc2ccncc2Cl)c2cccn2n1 Show InChI InChI=1S/C16H10ClFN6/c17-10-9-19-7-6-11(10)21-16-13-4-2-8-24(13)23-15(22-16)12-3-1-5-14(18)20-12/h1-9H,(H,19,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. US Patent					Assay Description Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...				US Patent US10336761 (2019) BindingDB Entry DOI: 10.7270/Q2M90C2R
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM13216 (BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...) Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of lck inase				J Med Chem 47: 6658-61 (2004) Article DOI: 10.1021/jm049486a BindingDB Entry DOI: 10.7270/Q2ZG6RRC
					More data for this Ligand-Target Pair

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