Compile Data Set for Download or QSAR

Found 1730 hits with Last Name = 'crew' and Initial = 'ap'   

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
Epidermal growth factor receptor [1-18,20-745,747-749,751-1210] (Homo sapiens (Human))	BDBM494877 (US10994015, Example 11) Show SMILES Clc1ccccc1CNc1ncnc2[nH]c(cc12)-c1ccc(CCOCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD 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	n/a
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R,T790M,C797S] (Homo sapiens (Human))	BDBM495017 (US10994015, Example 313 | US10994015, Example 314) Show SMILES CC(C)n1nc(N2CC(CN3CCN(CC4CCN(CC4)c4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)CC3)C2)c2cnc(Nc3ccnc(n3)-c3cnn(c3)S(=O)(=O)C3CC3)cc12 Show InChI InChI=1S/C46H54N14O6S/c1-28(2)60-38-20-40(50-39-9-12-47-42(51-39)31-21-49-58(27-31)67(65,66)33-4-5-33)48-22-36(38)43(53-60)57-25-30(26-57)24-55-17-15-54(16-18-55)23-29-10-13-56(14-11-29)32-3-6-34-35(19-32)46(64)59(45(34)63)37-7-8-41(61)52-44(37)62/h3,6,9,12,19-22,27-30,33,37H,4-5,7-8,10-11,13-18,23-26H2,1-2H3,(H,52,61,62)(H,47,48,50,51)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R,T790M,C797S] (Homo sapiens (Human))	BDBM495012 (US10994015, Example 308) Show SMILES CC(C)n1nc(N2CC(CNCCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)c3ccc(cc3)-c3scnc3C)C(C)(C)C)C2)c2cnc(Nc3ccnc(n3)-c3cnn(c3)S(=O)(=O)C3CC3)cc12 |r| Show InChI InChI=1S/C53H70N14O8S2/c1-32(2)67-42-22-45(60-44-15-17-55-49(61-44)38-24-58-66(28-38)77(72,73)40-13-14-40)56-25-41(42)50(63-67)64-26-35(27-64)23-54-16-8-18-74-19-20-75-30-46(69)62-48(53(5,6)7)52(71)65-29-39(68)21-43(65)51(70)59-33(3)36-9-11-37(12-10-36)47-34(4)57-31-76-47/h9-12,15,17,22,24-25,28,31-33,35,39-40,43,48,54,68H,8,13-14,16,18-21,23,26-27,29-30H2,1-7H3,(H,59,70)(H,62,69)(H,55,56,60,61)/t33-,39+,43-,48+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG 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
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM495017 (US10994015, Example 313 | US10994015, Example 314) Show SMILES CC(C)n1nc(N2CC(CN3CCN(CC4CCN(CC4)c4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)CC3)C2)c2cnc(Nc3ccnc(n3)-c3cnn(c3)S(=O)(=O)C3CC3)cc12 Show InChI InChI=1S/C46H54N14O6S/c1-28(2)60-38-20-40(50-39-9-12-47-42(51-39)31-21-49-58(27-31)67(65,66)33-4-5-33)48-22-36(38)43(53-60)57-25-30(26-57)24-55-17-15-54(16-18-55)23-29-10-13-56(14-11-29)32-3-6-34-35(19-32)46(64)59(45(34)63)37-7-8-41(61)52-44(37)62/h3,6,9,12,19-22,27-30,33,37H,4-5,7-8,10-11,13-18,23-26H2,1-2H3,(H,52,61,62)(H,47,48,50,51)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-745,747-749,751-1210,T790M] (Homo sapiens (Human))	BDBM495019 (US10994015, Example 319) Show SMILES CC(C)n1nc(N2CC(CN[C@H]3C[C@@H](C3)Oc3ccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c4c3)C2)c2cnc(Nc3ccnc(n3)-c3cnn(c3)S(=O)(=O)C3CC3)cc12 |r,wU:11.10,wD:13.15,(-8.98,2.82,;-10.07,3.91,;-11.56,3.51,;-9.67,5.39,;-8.26,6.02,;-8.42,7.55,;-7.28,8.58,;-7.28,10.12,;-5.74,10.12,;-4.64,11.25,;-3.15,10.87,;-2.07,11.97,;-1.59,13.44,;-.06,13.27,;-.56,11.65,;1.22,14.12,;2.56,13.35,;2.72,11.82,;4.12,11.2,;5.37,12.1,;6.88,11.78,;7.43,10.34,;7.65,13.11,;9.18,13.27,;10.08,12.03,;11.61,12.19,;12.24,13.6,;13.77,13.76,;11.34,14.84,;9.8,14.68,;8.9,15.93,;6.62,14.26,;6.86,15.78,;5.21,13.63,;3.8,14.26,;-5.74,8.58,;-9.93,7.87,;-10.7,9.21,;-12.24,9.21,;-13.01,7.87,;-14.55,7.87,;-15.32,6.54,;-16.86,6.54,;-17.63,5.2,;-16.86,3.87,;-15.32,3.87,;-14.55,5.2,;-14.55,2.54,;-13.02,2.38,;-12.7,.87,;-14.03,.1,;-15.18,1.13,;-14.19,-1.43,;-15.6,-2.06,;-12.95,-2.34,;-14.35,-2.96,;-15.5,-3.99,;-14.03,-4.47,;-12.24,6.54,;-10.7,6.54,)| Show InChI InChI=1S/C40H42N12O7S/c1-21(2)52-32-14-34(45-33-9-10-41-36(46-33)23-16-44-50(20-23)60(57,58)27-4-5-27)43-17-30(32)37(48-52)49-18-22(19-49)15-42-24-11-26(12-24)59-25-3-6-28-29(13-25)40(56)51(39(28)55)31-7-8-35(53)47-38(31)54/h3,6,9-10,13-14,16-17,20-22,24,26-27,31,42H,4-5,7-8,11-12,15,18-19H2,1-2H3,(H,47,53,54)(H,41,43,45,46)/t24-,26-,31?	PDB MMDB UniProtKB/SwissProt B.MOAD 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
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R,T790M,C797S] (Homo sapiens (Human))	BDBM495016 (US10994015, Example 312) Show SMILES CC(C)n1nc(N2CCN(CC3CCN(CC3)c3ccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c4c3)CC2)c2cnc(Nc3ccnc(n3)-c3cnn(c3)S(=O)(=O)C3CC3)cc12 Show InChI InChI=1S/C42H47N13O6S/c1-25(2)55-34-20-36(46-35-9-12-43-38(47-35)27-21-45-53(24-27)62(60,61)29-4-5-29)44-22-32(34)39(49-55)52-17-15-50(16-18-52)23-26-10-13-51(14-11-26)28-3-6-30-31(19-28)42(59)54(41(30)58)33-7-8-37(56)48-40(33)57/h3,6,9,12,19-22,24-26,29,33H,4-5,7-8,10-11,13-18,23H2,1-2H3,(H,48,56,57)(H,43,44,46,47)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM494877 (US10994015, Example 11) Show SMILES Clc1ccccc1CNc1ncnc2[nH]c(cc12)-c1ccc(CCOCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1 Show InChI	PDB UniProtKB/SwissProt 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
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM495016 (US10994015, Example 312) Show SMILES CC(C)n1nc(N2CCN(CC3CCN(CC3)c3ccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c4c3)CC2)c2cnc(Nc3ccnc(n3)-c3cnn(c3)S(=O)(=O)C3CC3)cc12 Show InChI InChI=1S/C42H47N13O6S/c1-25(2)55-34-20-36(46-35-9-12-43-38(47-35)27-21-45-53(24-27)62(60,61)29-4-5-29)44-22-32(34)39(49-55)52-17-15-50(16-18-52)23-26-10-13-51(14-11-26)28-3-6-30-31(19-28)42(59)54(41(30)58)33-7-8-37(56)48-40(33)57/h3,6,9,12,19-22,24-26,29,33H,4-5,7-8,10-11,13-18,23H2,1-2H3,(H,48,56,57)(H,43,44,46,47)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R,T790M,C797S] (Homo sapiens (Human))	BDBM495019 (US10994015, Example 319) Show SMILES CC(C)n1nc(N2CC(CN[C@H]3C[C@@H](C3)Oc3ccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c4c3)C2)c2cnc(Nc3ccnc(n3)-c3cnn(c3)S(=O)(=O)C3CC3)cc12 |r,wU:11.10,wD:13.15,(-8.98,2.82,;-10.07,3.91,;-11.56,3.51,;-9.67,5.39,;-8.26,6.02,;-8.42,7.55,;-7.28,8.58,;-7.28,10.12,;-5.74,10.12,;-4.64,11.25,;-3.15,10.87,;-2.07,11.97,;-1.59,13.44,;-.06,13.27,;-.56,11.65,;1.22,14.12,;2.56,13.35,;2.72,11.82,;4.12,11.2,;5.37,12.1,;6.88,11.78,;7.43,10.34,;7.65,13.11,;9.18,13.27,;10.08,12.03,;11.61,12.19,;12.24,13.6,;13.77,13.76,;11.34,14.84,;9.8,14.68,;8.9,15.93,;6.62,14.26,;6.86,15.78,;5.21,13.63,;3.8,14.26,;-5.74,8.58,;-9.93,7.87,;-10.7,9.21,;-12.24,9.21,;-13.01,7.87,;-14.55,7.87,;-15.32,6.54,;-16.86,6.54,;-17.63,5.2,;-16.86,3.87,;-15.32,3.87,;-14.55,5.2,;-14.55,2.54,;-13.02,2.38,;-12.7,.87,;-14.03,.1,;-15.18,1.13,;-14.19,-1.43,;-15.6,-2.06,;-12.95,-2.34,;-14.35,-2.96,;-15.5,-3.99,;-14.03,-4.47,;-12.24,6.54,;-10.7,6.54,)| Show InChI InChI=1S/C40H42N12O7S/c1-21(2)52-32-14-34(45-33-9-10-41-36(46-33)23-16-44-50(20-23)60(57,58)27-4-5-27)43-17-30(32)37(48-52)49-18-22(19-49)15-42-24-11-26(12-24)59-25-3-6-28-29(13-25)40(56)51(39(28)55)31-7-8-35(53)47-38(31)54/h3,6,9-10,13-14,16-17,20-22,24,26-27,31,42H,4-5,7-8,11-12,15,18-19H2,1-2H3,(H,47,53,54)(H,41,43,45,46)/t24-,26-,31?	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM495012 (US10994015, Example 308) Show SMILES CC(C)n1nc(N2CC(CNCCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)c3ccc(cc3)-c3scnc3C)C(C)(C)C)C2)c2cnc(Nc3ccnc(n3)-c3cnn(c3)S(=O)(=O)C3CC3)cc12 |r| Show InChI InChI=1S/C53H70N14O8S2/c1-32(2)67-42-22-45(60-44-15-17-55-49(61-44)38-24-58-66(28-38)77(72,73)40-13-14-40)56-25-41(42)50(63-67)64-26-35(27-64)23-54-16-8-18-74-19-20-75-30-46(69)62-48(53(5,6)7)52(71)65-29-39(68)21-43(65)51(70)59-33(3)36-9-11-37(12-10-36)47-34(4)57-31-76-47/h9-12,15,17,22,24-25,28,31-33,35,39-40,43,48,54,68H,8,13-14,16,18-21,23,26-27,29-30H2,1-7H3,(H,59,70)(H,62,69)(H,55,56,60,61)/t33-,39+,43-,48+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	0.910	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-745,747-749,751-1210] (Homo sapiens (Human))	BDBM494873 (US10994015, Example 7) Show SMILES Clc1ccccc1CNc1ncnc2[nH]c(cc12)-c1ccc(CN2CCN(CCOCCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)cc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R,T790M,C797S] (Homo sapiens (Human))	BDBM495009 (US10994015, Example 305) Show SMILES CC(C)n1c(COCCN2CCN(CC2)c2ccc(OCCCN3CCN(CC3)c3ccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c4c3)cc2)nc2cnc(Nc3ccnc(n3)-c3cnn(c3)S(=O)(=O)C3CC3)cc12 Show InChI InChI=1S/C52H60N14O8S/c1-34(2)65-44-29-46(57-45-14-15-53-49(58-45)35-30-55-64(32-35)75(71,72)39-9-10-39)54-31-42(44)56-47(65)33-73-27-25-61-19-21-62(22-20-61)36-4-7-38(8-5-36)74-26-3-16-60-17-23-63(24-18-60)37-6-11-40-41(28-37)52(70)66(51(40)69)43-12-13-48(67)59-50(43)68/h4-8,11,14-15,28-32,34,39,43H,3,9-10,12-13,16-27,33H2,1-2H3,(H,59,67,68)(H,53,54,57,58)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-745,747-749,751-1210] (Homo sapiens (Human))	BDBM495019 (US10994015, Example 319) Show SMILES CC(C)n1nc(N2CC(CN[C@H]3C[C@@H](C3)Oc3ccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c4c3)C2)c2cnc(Nc3ccnc(n3)-c3cnn(c3)S(=O)(=O)C3CC3)cc12 |r,wU:11.10,wD:13.15,(-8.98,2.82,;-10.07,3.91,;-11.56,3.51,;-9.67,5.39,;-8.26,6.02,;-8.42,7.55,;-7.28,8.58,;-7.28,10.12,;-5.74,10.12,;-4.64,11.25,;-3.15,10.87,;-2.07,11.97,;-1.59,13.44,;-.06,13.27,;-.56,11.65,;1.22,14.12,;2.56,13.35,;2.72,11.82,;4.12,11.2,;5.37,12.1,;6.88,11.78,;7.43,10.34,;7.65,13.11,;9.18,13.27,;10.08,12.03,;11.61,12.19,;12.24,13.6,;13.77,13.76,;11.34,14.84,;9.8,14.68,;8.9,15.93,;6.62,14.26,;6.86,15.78,;5.21,13.63,;3.8,14.26,;-5.74,8.58,;-9.93,7.87,;-10.7,9.21,;-12.24,9.21,;-13.01,7.87,;-14.55,7.87,;-15.32,6.54,;-16.86,6.54,;-17.63,5.2,;-16.86,3.87,;-15.32,3.87,;-14.55,5.2,;-14.55,2.54,;-13.02,2.38,;-12.7,.87,;-14.03,.1,;-15.18,1.13,;-14.19,-1.43,;-15.6,-2.06,;-12.95,-2.34,;-14.35,-2.96,;-15.5,-3.99,;-14.03,-4.47,;-12.24,6.54,;-10.7,6.54,)| Show InChI InChI=1S/C40H42N12O7S/c1-21(2)52-32-14-34(45-33-9-10-41-36(46-33)23-16-44-50(20-23)60(57,58)27-4-5-27)43-17-30(32)37(48-52)49-18-22(19-49)15-42-24-11-26(12-24)59-25-3-6-28-29(13-25)40(56)51(39(28)55)31-7-8-35(53)47-38(31)54/h3,6,9-10,13-14,16-17,20-22,24,26-27,31,42H,4-5,7-8,11-12,15,18-19H2,1-2H3,(H,47,53,54)(H,41,43,45,46)/t24-,26-,31?	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50459898 (CHEMBL4227907) Show SMILES CN(CCCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1Br)C(=O)C1CCC1 |r| Show InChI InChI=1S/C53H74BrN9O9S/c1-36-46(73-35-58-36)38-16-14-37(15-17-38)31-56-49(66)44-30-41(64)33-63(44)51(68)47(53(2,3)4)60-45(65)34-71-28-10-26-69-24-6-7-25-70-27-11-29-72-42-20-18-40(19-21-42)59-52-57-32-43(54)48(61-52)55-22-9-23-62(5)50(67)39-12-8-13-39/h14-21,32,35,39,41,44,47,64H,6-13,22-31,33-34H2,1-5H3,(H,56,66)(H,60,65)(H2,55,57,59,61)/t41-,44+,47-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Arvinas LLC Curated by ChEMBL					Assay Description Inhibition of TBK1 (unknown origin)				J Med Chem 61: 583-598 (2018) Article DOI: 10.1021/acs.jmedchem.7b00635 BindingDB Entry DOI: 10.7270/Q2GM89ZG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM495017 (US10994015, Example 313 | US10994015, Example 314) Show SMILES CC(C)n1nc(N2CC(CN3CCN(CC4CCN(CC4)c4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)CC3)C2)c2cnc(Nc3ccnc(n3)-c3cnn(c3)S(=O)(=O)C3CC3)cc12 Show InChI InChI=1S/C46H54N14O6S/c1-28(2)60-38-20-40(50-39-9-12-47-42(51-39)31-21-49-58(27-31)67(65,66)33-4-5-33)48-22-36(38)43(53-60)57-25-30(26-57)24-55-17-15-54(16-18-55)23-29-10-13-56(14-11-29)32-3-6-34-35(19-32)46(64)59(45(34)63)37-7-8-41(61)52-44(37)62/h3,6,9,12,19-22,27-30,33,37H,4-5,7-8,10-11,13-18,23-26H2,1-2H3,(H,52,61,62)(H,47,48,50,51)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-745,747-749,751-1210,T790M] (Homo sapiens (Human))	BDBM495017 (US10994015, Example 313 | US10994015, Example 314) Show SMILES CC(C)n1nc(N2CC(CN3CCN(CC4CCN(CC4)c4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)CC3)C2)c2cnc(Nc3ccnc(n3)-c3cnn(c3)S(=O)(=O)C3CC3)cc12 Show InChI InChI=1S/C46H54N14O6S/c1-28(2)60-38-20-40(50-39-9-12-47-42(51-39)31-21-49-58(27-31)67(65,66)33-4-5-33)48-22-36(38)43(53-60)57-25-30(26-57)24-55-17-15-54(16-18-55)23-29-10-13-56(14-11-29)32-3-6-34-35(19-32)46(64)59(45(34)63)37-7-8-41(61)52-44(37)62/h3,6,9,12,19-22,27-30,33,37H,4-5,7-8,10-11,13-18,23-26H2,1-2H3,(H,52,61,62)(H,47,48,50,51)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-745,747-749,751-1210] (Homo sapiens (Human))	BDBM494874 (4-((17-(4-(4-(4-((2-chlorobenzyl)amino)-7H-pyrrolo...) Show SMILES Clc1ccccc1CNc1ncnc2[nH]c(cc12)-c1ccc(CN2CCN(CCOCCOCCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)cc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-745,747-749,751-1210] (Homo sapiens (Human))	BDBM494875 (US10994015, Example 9) Show SMILES Clc1ccccc1CNc1ncnc2[nH]c(cc12)-c1ccc(CN2CCN(CCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)cc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-745,747-749,751-1210] (Homo sapiens (Human))	BDBM494867 ((2S,4R)-1-((S)-2-(tert-butyl)-14-(4-(4-(4-((2-chlo...) Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCN2CCN(Cc3ccc(cc3)-c3cc4c(NCc5ccccc5Cl)ncnc4[nH]3)CC2)C(C)(C)C)cc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-745,747-749,751-1210,T790M] (Homo sapiens (Human))	BDBM495012 (US10994015, Example 308) Show SMILES CC(C)n1nc(N2CC(CNCCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)c3ccc(cc3)-c3scnc3C)C(C)(C)C)C2)c2cnc(Nc3ccnc(n3)-c3cnn(c3)S(=O)(=O)C3CC3)cc12 |r| Show InChI InChI=1S/C53H70N14O8S2/c1-32(2)67-42-22-45(60-44-15-17-55-49(61-44)38-24-58-66(28-38)77(72,73)40-13-14-40)56-25-41(42)50(63-67)64-26-35(27-64)23-54-16-8-18-74-19-20-75-30-46(69)62-48(53(5,6)7)52(71)65-29-39(68)21-43(65)51(70)59-33(3)36-9-11-37(12-10-36)47-34(4)57-31-76-47/h9-12,15,17,22,24-25,28,31-33,35,39-40,43,48,54,68H,8,13-14,16,18-21,23,26-27,29-30H2,1-7H3,(H,59,70)(H,62,69)(H,55,56,60,61)/t33-,39+,43-,48+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM495019 (US10994015, Example 319) Show SMILES CC(C)n1nc(N2CC(CN[C@H]3C[C@@H](C3)Oc3ccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c4c3)C2)c2cnc(Nc3ccnc(n3)-c3cnn(c3)S(=O)(=O)C3CC3)cc12 |r,wU:11.10,wD:13.15,(-8.98,2.82,;-10.07,3.91,;-11.56,3.51,;-9.67,5.39,;-8.26,6.02,;-8.42,7.55,;-7.28,8.58,;-7.28,10.12,;-5.74,10.12,;-4.64,11.25,;-3.15,10.87,;-2.07,11.97,;-1.59,13.44,;-.06,13.27,;-.56,11.65,;1.22,14.12,;2.56,13.35,;2.72,11.82,;4.12,11.2,;5.37,12.1,;6.88,11.78,;7.43,10.34,;7.65,13.11,;9.18,13.27,;10.08,12.03,;11.61,12.19,;12.24,13.6,;13.77,13.76,;11.34,14.84,;9.8,14.68,;8.9,15.93,;6.62,14.26,;6.86,15.78,;5.21,13.63,;3.8,14.26,;-5.74,8.58,;-9.93,7.87,;-10.7,9.21,;-12.24,9.21,;-13.01,7.87,;-14.55,7.87,;-15.32,6.54,;-16.86,6.54,;-17.63,5.2,;-16.86,3.87,;-15.32,3.87,;-14.55,5.2,;-14.55,2.54,;-13.02,2.38,;-12.7,.87,;-14.03,.1,;-15.18,1.13,;-14.19,-1.43,;-15.6,-2.06,;-12.95,-2.34,;-14.35,-2.96,;-15.5,-3.99,;-14.03,-4.47,;-12.24,6.54,;-10.7,6.54,)| Show InChI InChI=1S/C40H42N12O7S/c1-21(2)52-32-14-34(45-33-9-10-41-36(46-33)23-16-44-50(20-23)60(57,58)27-4-5-27)43-17-30(32)37(48-52)49-18-22(19-49)15-42-24-11-26(12-24)59-25-3-6-28-29(13-25)40(56)51(39(28)55)31-7-8-35(53)47-38(31)54/h3,6,9-10,13-14,16-17,20-22,24,26-27,31,42H,4-5,7-8,11-12,15,18-19H2,1-2H3,(H,47,53,54)(H,41,43,45,46)/t24-,26-,31?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-745,747-749,751-1210] (Homo sapiens (Human))	BDBM494872 (US10994015, Example 6) Show SMILES Clc1ccccc1CNc1ncnc2[nH]c(cc12)-c1ccc(CN2CCN(CCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)cc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM485824 (US10946017, Compound 23) Show SMILES CN(CCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1I)C(=O)C1CCC1 |r| Show InChI InChI=1S/C52H72IN9O9S/c1-35-45(72-34-57-35)37-15-13-36(14-16-37)30-55-48(65)43-29-40(63)32-62(43)50(67)46(52(2,3)4)59-44(64)33-70-27-9-25-68-23-6-7-24-69-26-10-28-71-41-19-17-39(18-20-41)58-51-56-31-42(53)47(60-51)54-21-22-61(5)49(66)38-11-8-12-38/h13-20,31,34,38,40,43,46,63H,6-12,21-30,32-33H2,1-5H3,(H,55,65)(H,59,64)(H2,54,56,58,60)/t40-,43+,46-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC. US Patent									US Patent US10946017 (2021) BindingDB Entry DOI: 10.7270/Q21N848R
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-745,747-749,751-1210] (Homo sapiens (Human))	BDBM494868 (US10994015, Example 2) Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCN2CCN(Cc3ccc(cc3)-c3cc4c(NCc5ccccc5Cl)ncnc4[nH]3)CC2)C(C)(C)C)cc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 (Homo sapiens (Human))	BDBM50438224 (CHEMBL2407759) Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc2nnsc12 Show InChI InChI=1S/C23H21N7O2S/c1-13(31)29-7-5-15(6-8-29)30-12-14(10-26-30)18-11-25-23(24)21-17(18)9-20(32-21)16-3-2-4-19-22(16)33-28-27-19/h2-4,9-12,15H,5-8H2,1H3,(H2,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
OSI Pharmaceuticals LLC Curated by ChEMBL					Assay Description Inhibition of truncated TAK1-TAB1(unknown origin) using MKK7 as substrate by ALPHAScreen assay in presence of ATP				Bioorg Med Chem Lett 23: 4517-22 (2013) Article DOI: 10.1016/j.bmcl.2013.06.053 BindingDB Entry DOI: 10.7270/Q2ZK5J2K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor [1-18,20-745,747-749,751-1210] (Homo sapiens (Human))	BDBM494871 (US10994015, Example 5) Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCN2CCN(Cc3ccc(cc3)-c3cc4c(NCc5ccccc5Cl)ncnc4[nH]3)CC2)C(C)(C)C)cc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-745,747-749,751-1210] (Homo sapiens (Human))	BDBM494870 (US10994015, Example 4) Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCN2CCN(Cc3ccc(cc3)-c3cc4c(NCc5ccccc5Cl)ncnc4[nH]3)CC2)C(C)(C)C)cc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM495019 (US10994015, Example 319) Show SMILES CC(C)n1nc(N2CC(CN[C@H]3C[C@@H](C3)Oc3ccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c4c3)C2)c2cnc(Nc3ccnc(n3)-c3cnn(c3)S(=O)(=O)C3CC3)cc12 |r,wU:11.10,wD:13.15,(-8.98,2.82,;-10.07,3.91,;-11.56,3.51,;-9.67,5.39,;-8.26,6.02,;-8.42,7.55,;-7.28,8.58,;-7.28,10.12,;-5.74,10.12,;-4.64,11.25,;-3.15,10.87,;-2.07,11.97,;-1.59,13.44,;-.06,13.27,;-.56,11.65,;1.22,14.12,;2.56,13.35,;2.72,11.82,;4.12,11.2,;5.37,12.1,;6.88,11.78,;7.43,10.34,;7.65,13.11,;9.18,13.27,;10.08,12.03,;11.61,12.19,;12.24,13.6,;13.77,13.76,;11.34,14.84,;9.8,14.68,;8.9,15.93,;6.62,14.26,;6.86,15.78,;5.21,13.63,;3.8,14.26,;-5.74,8.58,;-9.93,7.87,;-10.7,9.21,;-12.24,9.21,;-13.01,7.87,;-14.55,7.87,;-15.32,6.54,;-16.86,6.54,;-17.63,5.2,;-16.86,3.87,;-15.32,3.87,;-14.55,5.2,;-14.55,2.54,;-13.02,2.38,;-12.7,.87,;-14.03,.1,;-15.18,1.13,;-14.19,-1.43,;-15.6,-2.06,;-12.95,-2.34,;-14.35,-2.96,;-15.5,-3.99,;-14.03,-4.47,;-12.24,6.54,;-10.7,6.54,)| Show InChI InChI=1S/C40H42N12O7S/c1-21(2)52-32-14-34(45-33-9-10-41-36(46-33)23-16-44-50(20-23)60(57,58)27-4-5-27)43-17-30(32)37(48-52)49-18-22(19-49)15-42-24-11-26(12-24)59-25-3-6-28-29(13-25)40(56)51(39(28)55)31-7-8-35(53)47-38(31)54/h3,6,9-10,13-14,16-17,20-22,24,26-27,31,42H,4-5,7-8,11-12,15,18-19H2,1-2H3,(H,47,53,54)(H,41,43,45,46)/t24-,26-,31?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM494926 (US10994015, Example 48) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)CCCOCCCOCC(=O)N[C@H](C(=O)N1CC(O)C[C@@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C |r| Show InChI InChI=1S/C50H61ClFN9O8S/c1-31-45(70-30-56-31)33-13-11-32(12-14-33)26-53-48(65)41-23-35(62)27-61(41)49(66)46(50(2,3)4)59-44(64)28-69-21-9-20-68-19-8-18-60(5)17-7-10-43(63)58-40-24-36-39(25-42(40)67-6)54-29-55-47(36)57-34-15-16-38(52)37(51)22-34/h7,10-16,22,24-25,29-30,35,41,46,62H,8-9,17-21,23,26-28H2,1-6H3,(H,53,65)(H,58,63)(H,59,64)(H,54,55,57)/b10-7+/t35?,41-,46-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-745,747-749,751-1210,T790M] (Homo sapiens (Human))	BDBM495016 (US10994015, Example 312) Show SMILES CC(C)n1nc(N2CCN(CC3CCN(CC3)c3ccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c4c3)CC2)c2cnc(Nc3ccnc(n3)-c3cnn(c3)S(=O)(=O)C3CC3)cc12 Show InChI InChI=1S/C42H47N13O6S/c1-25(2)55-34-20-36(46-35-9-12-43-38(47-35)27-21-45-53(24-27)62(60,61)29-4-5-29)44-22-32(34)39(49-55)52-17-15-50(16-18-52)23-26-10-13-51(14-11-26)28-3-6-30-31(19-28)42(59)54(41(30)58)33-7-8-37(56)48-40(33)57/h3,6,9,12,19-22,24-26,29,33H,4-5,7-8,10-11,13-18,23H2,1-2H3,(H,48,56,57)(H,43,44,46,47)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM494875 (US10994015, Example 9) Show SMILES Clc1ccccc1CNc1ncnc2[nH]c(cc12)-c1ccc(CN2CCN(CCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-745,747-749,751-1210] (Homo sapiens (Human))	BDBM494869 (US10994015, Example 3) Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCN2CCN(Cc3ccc(cc3)-c3cc4c(NCc5ccccc5Cl)ncnc4[nH]3)CC2)C(C)(C)C)cc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM495013 (US10994015, Example 309) Show SMILES C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CN1CCN(CCOCCOCCOCCOCC#Cc2cccc3CN(C(C(=O)Nc4nccs4)c4cc(F)ccc4O)C(=O)c23)CC1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r| Show InChI InChI=1S/C59H72FN9O11S2/c1-38(40-11-13-42(14-12-40)52-39(2)62-37-82-52)63-54(73)47-33-45(70)35-68(47)57(76)53(59(3,4)5)64-49(72)36-67-20-18-66(19-21-67)22-24-78-26-28-80-30-29-79-27-25-77-23-7-10-41-8-6-9-43-34-69(56(75)50(41)43)51(46-32-44(60)15-16-48(46)71)55(74)65-58-61-17-31-81-58/h6,8-9,11-17,31-32,37-38,45,47,51,53,70-71H,18-30,33-36H2,1-5H3,(H,63,73)(H,64,72)(H,61,65,74)/t38-,45+,47-,51?,53+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-745,747-749,751-1210] (Homo sapiens (Human))	BDBM495017 (US10994015, Example 313 | US10994015, Example 314) Show SMILES CC(C)n1nc(N2CC(CN3CCN(CC4CCN(CC4)c4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)CC3)C2)c2cnc(Nc3ccnc(n3)-c3cnn(c3)S(=O)(=O)C3CC3)cc12 Show InChI InChI=1S/C46H54N14O6S/c1-28(2)60-38-20-40(50-39-9-12-47-42(51-39)31-21-49-58(27-31)67(65,66)33-4-5-33)48-22-36(38)43(53-60)57-25-30(26-57)24-55-17-15-54(16-18-55)23-29-10-13-56(14-11-29)32-3-6-34-35(19-32)46(64)59(45(34)63)37-7-8-41(61)52-44(37)62/h3,6,9,12,19-22,27-30,33,37H,4-5,7-8,10-11,13-18,23-26H2,1-2H3,(H,52,61,62)(H,47,48,50,51)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM494870 (US10994015, Example 4) Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCN2CCN(Cc3ccc(cc3)-c3cc4c(NCc5ccccc5Cl)ncnc4[nH]3)CC2)C(C)(C)C)cc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM494877 (US10994015, Example 11) Show SMILES Clc1ccccc1CNc1ncnc2[nH]c(cc12)-c1ccc(CCOCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM50459898 (CHEMBL4227907) Show SMILES CN(CCCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1Br)C(=O)C1CCC1 |r| Show InChI InChI=1S/C53H74BrN9O9S/c1-36-46(73-35-58-36)38-16-14-37(15-17-38)31-56-49(66)44-30-41(64)33-63(44)51(68)47(53(2,3)4)60-45(65)34-71-28-10-26-69-24-6-7-25-70-27-11-29-72-42-20-18-40(19-21-42)59-52-57-32-43(54)48(61-52)55-22-9-23-62(5)50(67)39-12-8-13-39/h14-21,32,35,39,41,44,47,64H,6-13,22-31,33-34H2,1-5H3,(H,56,66)(H,60,65)(H2,55,57,59,61)/t41-,44+,47-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Arvinas LLC Curated by ChEMBL					Assay Description Inhibition of IKKepsilon (unknown origin)				J Med Chem 61: 583-598 (2018) Article DOI: 10.1021/acs.jmedchem.7b00635 BindingDB Entry DOI: 10.7270/Q2GM89ZG
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 (Homo sapiens (Human))	BDBM50438335 (CHEMBL2408610) Show SMILES Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2cc(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(9.91,-9.17,;11.37,-8.7,;12.51,-9.73,;13.97,-9.25,;14.29,-7.76,;15.76,-7.28,;16.23,-5.82,;17.77,-5.82,;18.25,-7.28,;17,-8.19,;19.71,-7.76,;20.03,-9.27,;21.48,-9.75,;22.63,-8.72,;24.1,-9.21,;22.32,-7.22,;20.85,-6.73,;13.16,-6.73,;13.16,-5.19,;11.69,-4.72,;10.79,-5.97,;11.69,-7.2,;11.22,-3.25,;12.26,-2.12,;11.8,-.65,;10.29,-.32,;9.25,-1.47,;7.71,-1.46,;7.23,-2.93,;8.48,-3.83,;9.72,-2.93,)| Show InChI InChI=1S/C22H20N6O2S/c23-22-20-16(8-19(30-20)15-2-1-3-18-21(15)31-27-26-18)17(10-24-22)12-9-25-28(11-12)13-4-6-14(29)7-5-13/h1-3,8-11,13-14,29H,4-7H2,(H2,23,24)/t13-,14-	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
OSI Pharmaceuticals LLC Curated by ChEMBL					Assay Description Inhibition of TAK1-TAB1 (unknown origin) by alphascreen assay in presence of ATP				Bioorg Med Chem Lett 23: 4511-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.054 BindingDB Entry DOI: 10.7270/Q2FN17MJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM495009 (US10994015, Example 305) Show SMILES CC(C)n1c(COCCN2CCN(CC2)c2ccc(OCCCN3CCN(CC3)c3ccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c4c3)cc2)nc2cnc(Nc3ccnc(n3)-c3cnn(c3)S(=O)(=O)C3CC3)cc12 Show InChI InChI=1S/C52H60N14O8S/c1-34(2)65-44-29-46(57-45-14-15-53-49(58-45)35-30-55-64(32-35)75(71,72)39-9-10-39)54-31-42(44)56-47(65)33-73-27-25-61-19-21-62(22-20-61)36-4-7-38(8-5-36)74-26-3-16-60-17-23-63(24-18-60)37-6-11-40-41(28-37)52(70)66(51(40)69)43-12-13-48(67)59-50(43)68/h4-8,11,14-15,28-32,34,39,43H,3,9-10,12-13,16-27,33H2,1-2H3,(H,59,67,68)(H,53,54,57,58)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM485818 (US10946017, Compound 20) Show SMILES CN(CCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1Cl)C(=O)C1CCC1 |r| Show InChI InChI=1S/C52H72ClN9O9S/c1-35-45(72-34-57-35)37-15-13-36(14-16-37)30-55-48(65)43-29-40(63)32-62(43)50(67)46(52(2,3)4)59-44(64)33-70-27-9-25-68-23-6-7-24-69-26-10-28-71-41-19-17-39(18-20-41)58-51-56-31-42(53)47(60-51)54-21-22-61(5)49(66)38-11-8-12-38/h13-20,31,34,38,40,43,46,63H,6-12,21-30,32-33H2,1-5H3,(H,55,65)(H,59,64)(H2,54,56,58,60)/t40-,43+,46-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC. US Patent									US Patent US10946017 (2021) BindingDB Entry DOI: 10.7270/Q21N848R
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50438223 (CHEMBL2407758) Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc2ncsc12 Show InChI InChI=1S/C24H22N6O2S/c1-14(31)29-7-5-16(6-8-29)30-12-15(10-28-30)19-11-26-24(25)22-18(19)9-21(32-22)17-3-2-4-20-23(17)33-13-27-20/h2-4,9-13,16H,5-8H2,1H3,(H2,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
OSI Pharmaceuticals LLC Curated by ChEMBL					Assay Description Inhibition of TAK1 in human HCT116 cells assessed as inhibition of TNF-alpha-stimulated JNK phosphorylation				Bioorg Med Chem Lett 23: 4517-22 (2013) Article DOI: 10.1016/j.bmcl.2013.06.053 BindingDB Entry DOI: 10.7270/Q2ZK5J2K
					More data for this Ligand-Target Pair
Activated CDC42 kinase 1 (Homo sapiens (Human))	BDBM50421257 (CHEMBL2087875) Show SMILES C(CN1CCCC1)Oc1ccc(cc1)-c1[nH]c2ncnc(NCC3SCCS3)c2c1-c1ccccc1 Show InChI InChI=1S/C28H31N5OS2/c1-2-6-20(7-3-1)24-25-27(29-18-23-35-16-17-36-23)30-19-31-28(25)32-26(24)21-8-10-22(11-9-21)34-15-14-33-12-4-5-13-33/h1-3,6-11,19,23H,4-5,12-18H2,(H2,29,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
OSI Pharmaceuticals, LLC Curated by ChEMBL					Assay Description Inhibition of ACK1 (unknown origin) by cellular mechanistic assay				Bioorg Med Chem Lett 23: 979-84 (2013) Article DOI: 10.1016/j.bmcl.2012.12.042 BindingDB Entry DOI: 10.7270/Q2348MQT
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM494874 (4-((17-(4-(4-(4-((2-chlorobenzyl)amino)-7H-pyrrolo...) Show SMILES Clc1ccccc1CNc1ncnc2[nH]c(cc12)-c1ccc(CN2CCN(CCOCCOCCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM494871 (US10994015, Example 5) Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCN2CCN(Cc3ccc(cc3)-c3cc4c(NCc5ccccc5Cl)ncnc4[nH]3)CC2)C(C)(C)C)cc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM494927 ((2S,4R)-1-((S)-2-(6-(4-(4-((4-((3-chloro-4-fluorop...) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCCOCCCCOCCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C |r| Show InChI InChI=1S/C56H73ClFN9O8S/c1-37-51(76-36-62-37)39-19-17-38(18-20-39)33-59-54(71)47-30-41(68)34-67(47)55(72)52(56(2,3)4)65-50(70)15-8-7-9-24-73-25-10-11-26-74-27-12-13-28-75-48-32-45-42(31-46(48)64-49(69)16-14-23-66(5)6)53(61-35-60-45)63-40-21-22-44(58)43(57)29-40/h14,16-22,29,31-32,35-36,41,47,52,68H,7-13,15,23-28,30,33-34H2,1-6H3,(H,59,71)(H,64,69)(H,65,70)(H,60,61,63)/b16-14+/t41-,47+,52-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM485844 (US10946017, Compound 11DC50:) Show SMILES CN(CCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1Br)C(=O)C1CCC1 |r| Show InChI InChI=1S/C52H72BrN9O9S/c1-35-45(72-34-57-35)37-15-13-36(14-16-37)30-55-48(65)43-29-40(63)32-62(43)50(67)46(52(2,3)4)59-44(64)33-70-27-9-25-68-23-6-7-24-69-26-10-28-71-41-19-17-39(18-20-41)58-51-56-31-42(53)47(60-51)54-21-22-61(5)49(66)38-11-8-12-38/h13-20,31,34,38,40,43,46,63H,6-12,21-30,32-33H2,1-5H3,(H,55,65)(H,59,64)(H2,54,56,58,60)/t40-,43+,46-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC. US Patent									US Patent US10946017 (2021) BindingDB Entry DOI: 10.7270/Q21N848R
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM494956 (US10994015, Example 101) Show SMILES Clc1ccccc1CNc1ncnc2NC(Cc12)c1ccc(CN2CCN(CCOc3ccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c4c3)CC2)cc1 Show InChI InChI=1S/C39H39ClN8O5/c40-31-4-2-1-3-26(31)21-41-35-30-20-32(44-36(30)43-23-42-35)25-7-5-24(6-8-25)22-47-15-13-46(14-16-47)17-18-53-27-9-10-28-29(19-27)39(52)48(38(28)51)33-11-12-34(49)45-37(33)50/h1-10,19,23,32-33H,11-18,20-22H2,(H,45,49,50)(H2,41,42,43,44)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM494868 (US10994015, Example 2) Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCN2CCN(Cc3ccc(cc3)-c3cc4c(NCc5ccccc5Cl)ncnc4[nH]3)CC2)C(C)(C)C)cc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50438224 (CHEMBL2407759) Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc2nnsc12 Show InChI InChI=1S/C23H21N7O2S/c1-13(31)29-7-5-15(6-8-29)30-12-14(10-26-30)18-11-25-23(24)21-17(18)9-20(32-21)16-3-2-4-19-22(16)33-28-27-19/h2-4,9-12,15H,5-8H2,1H3,(H2,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
OSI Pharmaceuticals LLC Curated by ChEMBL					Assay Description Inhibition of TAK1 in human HCT116 cells assessed as inhibition of TNF-alpha-stimulated JNK phosphorylation				Bioorg Med Chem Lett 23: 4517-22 (2013) Article DOI: 10.1016/j.bmcl.2013.06.053 BindingDB Entry DOI: 10.7270/Q2ZK5J2K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 (Homo sapiens (Human))	BDBM50438223 (CHEMBL2407758) Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1cccc2ncsc12 Show InChI InChI=1S/C24H22N6O2S/c1-14(31)29-7-5-16(6-8-29)30-12-15(10-28-30)19-11-26-24(25)22-18(19)9-21(32-22)17-3-2-4-20-23(17)33-13-27-20/h2-4,9-13,16H,5-8H2,1H3,(H2,25,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
OSI Pharmaceuticals LLC Curated by ChEMBL					Assay Description Inhibition of truncated TAK1-TAB1(unknown origin) using MKK7 as substrate by ALPHAScreen assay in presence of ATP				Bioorg Med Chem Lett 23: 4517-22 (2013) Article DOI: 10.1016/j.bmcl.2013.06.053 BindingDB Entry DOI: 10.7270/Q2ZK5J2K
					More data for this Ligand-Target Pair

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