Compile Data Set for Download or QSAR

Found 747 hits Enz. Inhib. hit(s) with all data for entry = 9047   

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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397285 (US10596172, Compound I-357 | US10828300, Compound ...) Show SMILES C[C@@H](CO)Oc1cc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1Cl |r| Show InChI InChI=1S/C22H21ClFN5O3/c1-3-20(31)26-14-5-4-6-15(9-14)27-21-18(24)11-25-22(29-21)28-16-7-8-17(23)19(10-16)32-13(2)12-30/h3-11,13,30H,1,12H2,2H3,(H,26,31)(H2,25,27,28,29)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397391 (US10596172, Compound I-358 | US10828300, Compound ...) Show SMILES C[C@H](CO)Oc1cc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1Cl |r| Show InChI InChI=1S/C22H21ClFN5O3/c1-3-20(31)26-14-5-4-6-15(9-14)27-21-18(24)11-25-22(29-21)28-16-7-8-17(23)19(10-16)32-13(2)12-30/h3-11,13,30H,1,12H2,2H3,(H,26,31)(H2,25,27,28,29)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397286 (US10596172, Compound I-359 | US10828300, Compound ...) Show SMILES COCCOCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1F Show InChI InChI=1S/C24H25F2N5O4/c1-3-22(32)28-16-5-4-6-17(13-16)29-23-20(26)15-27-24(31-23)30-18-7-8-21(19(25)14-18)35-12-11-34-10-9-33-2/h3-8,13-15H,1,9-12H2,2H3,(H,28,32)(H2,27,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM437958 (US10596172, Compound I-360 | US10828300, Compound ...) Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2ncc(C)c(Nc3cccc(C)c3)n2)c1 Show InChI InChI=1S/C24H28N6O/c1-17-8-5-9-19(14-17)27-23-18(2)16-25-24(29-23)28-21-11-6-10-20(15-21)26-22(31)12-7-13-30(3)4/h5-12,14-16H,13H2,1-4H3,(H,26,31)(H2,25,27,28,29)/b12-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397287 (US10596172, Compound I-362 | US10828300, Compound ...) Show SMILES Fc1cnc(Nc2ccc(OCCOCCNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)c(F)c2)nc1Nc1cccc(NC(=O)C=C)c1 |r| Show InChI InChI=1S/C48H66F2N10O10S/c1-2-41(61)55-33-9-5-10-34(29-33)56-46-37(50)31-54-47(60-46)57-35-15-16-39(36(49)30-35)70-28-27-68-22-19-53-44(64)14-6-13-43(63)52-18-8-21-67-24-26-69-25-23-66-20-7-17-51-42(62)12-4-3-11-40-45-38(32-71-40)58-48(65)59-45/h2,5,9-10,15-16,29-31,38,40,45H,1,3-4,6-8,11-14,17-28,32H2,(H,51,62)(H,52,63)(H,53,64)(H,55,61)(H2,58,59,65)(H2,54,56,57,60)/t38-,40-,45-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM437960 (US10596172, Compound I-363 | US11351168, Compound ...) Show SMILES Fc1cnc(Nc2ccc(OCCOCCNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cc2)nc1Nc1cccc(NC(=O)C=C)c1 |r| Show InChI InChI=1S/C48H67FN10O10S/c1-2-41(60)54-35-9-5-10-36(31-35)55-46-38(49)32-53-47(59-46)56-34-15-17-37(18-16-34)69-30-29-67-24-21-52-44(63)14-6-13-43(62)51-20-8-23-66-26-28-68-27-25-65-22-7-19-50-42(61)12-4-3-11-40-45-39(33-70-40)57-48(64)58-45/h2,5,9-10,15-18,31-32,39-40,45H,1,3-4,6-8,11-14,19-30,33H2,(H,50,61)(H,51,62)(H,52,63)(H,54,60)(H2,57,58,64)(H2,53,55,56,59)/t39-,40-,45-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM437961 (US10596172, Compound I-369 | US11351168, Compound ...) Show SMILES CC(C)[C@H](N)C(=O)OC[C@H](C)Oc1cc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1Cl |r| Show InChI InChI=1S/C27H30ClFN6O4/c1-5-23(36)32-17-7-6-8-18(11-17)33-25-21(29)13-31-27(35-25)34-19-9-10-20(28)22(12-19)39-16(4)14-38-26(37)24(30)15(2)3/h5-13,15-16,24H,1,14,30H2,2-4H3,(H,32,36)(H2,31,33,34,35)/t16-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM437962 (US10596172, Compound I-370 | US11351168, Compound ...) Show SMILES CC(C)(C)OC(=O)NCCOCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C28H33FN6O5/c1-5-24(36)32-20-7-6-8-21(17-20)33-25-23(29)18-31-26(35-25)34-19-9-11-22(12-10-19)39-16-15-38-14-13-30-27(37)40-28(2,3)4/h5-12,17-18H,1,13-16H2,2-4H3,(H,30,37)(H,32,36)(H2,31,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM437963 (US10596172, Compound I-371 | US11351168, Compound ...) Show SMILES Fc1cnc(Nc2ccc(OCCOCCN=[N+]=[N-])cc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C23H23FN8O3/c1-2-21(33)28-17-4-3-5-18(14-17)29-22-20(24)15-26-23(31-22)30-16-6-8-19(9-7-16)35-13-12-34-11-10-27-32-25/h2-9,14-15H,1,10-13H2,(H,28,33)(H2,26,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM437964 (US10596172, Compound I-372 | US11351168, Compound ...) Show SMILES C[C@H](CO)Oc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1F |r| Show InChI InChI=1S/C22H21F2N5O3/c1-3-20(31)26-14-5-4-6-15(9-14)27-21-18(24)11-25-22(29-21)28-16-7-8-19(17(23)10-16)32-13(2)12-30/h3-11,13,30H,1,12H2,2H3,(H,26,31)(H2,25,27,28,29)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM437965 (US10596172, Compound I-373 | US11351168, Compound ...) Show SMILES C[C@@H](CO)Oc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1F |r| Show InChI InChI=1S/C22H21F2N5O3/c1-3-20(31)26-14-5-4-6-15(9-14)27-21-18(24)11-25-22(29-21)28-16-7-8-19(17(23)10-16)32-13(2)12-30/h3-11,13,30H,1,12H2,2H3,(H,26,31)(H2,25,27,28,29)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM437966 (US10596172, Compound I-374 | US11351168, Compound ...) Show SMILES CC(C)[C@H](N)C(=O)OC[C@@H](C)Oc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1F |r| Show InChI InChI=1S/C27H30F2N6O4/c1-5-23(36)32-17-7-6-8-18(11-17)33-25-21(29)13-31-27(35-25)34-19-9-10-22(20(28)12-19)39-16(4)14-38-26(37)24(30)15(2)3/h5-13,15-16,24H,1,14,30H2,2-4H3,(H,32,36)(H2,31,33,34,35)/t16-,24+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM437968 (US10596172, Compound I-376 | US11351168, Compound ...) Show SMILES Fc1cnc(Nc2ccc(OCCN=[N+]=[N-])cc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C21H19FN8O2/c1-2-19(31)26-15-4-3-5-16(12-15)27-20-18(22)13-24-21(29-20)28-14-6-8-17(9-7-14)32-11-10-25-30-23/h2-9,12-13H,1,10-11H2,(H,26,31)(H2,24,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM437969 (US10596172, Compound I-377 | US11351168, Compound ...) Show SMILES CC(C)[C@H](N)C(=O)OC[C@H](C)Oc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1F |r| Show InChI InChI=1S/C27H30F2N6O4/c1-5-23(36)32-17-7-6-8-18(11-17)33-25-21(29)13-31-27(35-25)34-19-9-10-22(20(28)12-19)39-16(4)14-38-26(37)24(30)15(2)3/h5-13,15-16,24H,1,14,30H2,2-4H3,(H,32,36)(H2,31,33,34,35)/t16-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM437970 (US10596172, Compound I-378 | US11351168, Compound ...) Show SMILES [#6]-[#8]-[#6]-[#6]-[#8]-c1ccc(-[#7]-c2ncc(F)c(-[#7]-c3ccc(-[#6]-[#6](=O)\[#6]=[#6]-4\[#6]-[#6]-[#6]-4)cc3)n2)cc1F Show InChI InChI=1S/C26H26F2N4O3/c1-34-11-12-35-24-10-9-20(15-22(24)27)31-26-29-16-23(28)25(32-26)30-19-7-5-18(6-8-19)14-21(33)13-17-3-2-4-17/h5-10,13,15-16H,2-4,11-12,14H2,1H3,(H2,29,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM437971 (US10596172, Compound I-379 | US11351168, Compound ...) Show SMILES Fc1cnc(Nc2ccc(OCCOCCOCCN=[N+]=[N-])cc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C25H27FN8O4/c1-2-23(35)30-19-4-3-5-20(16-19)31-24-22(26)17-28-25(33-24)32-18-6-8-21(9-7-18)38-15-14-37-13-12-36-11-10-29-34-27/h2-9,16-17H,1,10-15H2,(H,30,35)(H2,28,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM437972 (US10596172, Compound I-381 | US11351168, Compound ...) Show SMILES COCCOc1ccc(Nc2nc(Nc3cccc(NC(=O)C=C)c3)ncc2F)cc1 Show InChI InChI=1S/C22H22FN5O3/c1-3-20(29)25-16-5-4-6-17(13-16)27-22-24-14-19(23)21(28-22)26-15-7-9-18(10-8-15)31-12-11-30-2/h3-10,13-14H,1,11-12H2,2H3,(H,25,29)(H2,24,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397145 (US10596172, Compound I-7 | US10828300, Compound IR...) Show SMILES Cc1cnc(Nc2ccccc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C20H19N5O/c1-3-18(26)22-16-10-7-11-17(12-16)23-19-14(2)13-21-20(25-19)24-15-8-5-4-6-9-15/h3-13H,1H2,2H3,(H,22,26)(H2,21,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397148 (US10596172, Compound I-33 | US10828300, Compound I...) Show SMILES Cc1cnc(Nc2cccc(c2)S(N)(=O)=O)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C20H20N6O3S/c1-3-18(27)23-14-6-4-7-15(10-14)24-19-13(2)12-22-20(26-19)25-16-8-5-9-17(11-16)30(21,28)29/h3-12H,1H2,2H3,(H,23,27)(H2,21,28,29)(H2,22,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397152 (US10596172, Compound I-40 | US10828300, Compound I...) Show SMILES Cc1cnc(Nc2cccc(c2)S(N)(=O)=O)nc1Nc1ccc2CN(CCc2c1)C(=O)C=C Show InChI InChI=1S/C23H24N6O3S/c1-3-21(30)29-10-9-16-11-19(8-7-17(16)14-29)26-22-15(2)13-25-23(28-22)27-18-5-4-6-20(12-18)33(24,31)32/h3-8,11-13H,1,9-10,14H2,2H3,(H2,24,31,32)(H2,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397158 (US10596172, Compound I-70 | US10828300, Compound I...) Show SMILES Fc1cnc(Nc2ccc(OCCN3CCCC3=O)nc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C24H24FN7O3/c1-2-20(33)28-16-5-3-6-17(13-16)29-23-19(25)15-27-24(31-23)30-18-8-9-21(26-14-18)35-12-11-32-10-4-7-22(32)34/h2-3,5-6,8-9,13-15H,1,4,7,10-12H2,(H,28,33)(H2,27,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397159 (US10596172, Compound I-72 | US10828300, Compound I...) Show SMILES Fc1cnc(Nc2ccc(nc2)N2CCS(=O)(=O)CC2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C22H22FN7O3S/c1-2-20(31)26-15-4-3-5-16(12-15)27-21-18(23)14-25-22(29-21)28-17-6-7-19(24-13-17)30-8-10-34(32,33)11-9-30/h2-7,12-14H,1,8-11H2,(H,26,31)(H2,25,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397160 (US10596172, Compound I-73 | US10828300, Compound I...) Show SMILES CC(C)(O)COc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C23H24FN5O3/c1-4-20(30)26-16-6-5-7-17(12-16)27-21-19(24)13-25-22(29-21)28-15-8-10-18(11-9-15)32-14-23(2,3)31/h4-13,31H,1,14H2,2-3H3,(H,26,30)(H2,25,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397161 (US10596172, Compound I-75 | US10828300, Compound I...) Show SMILES CN1CCC(COc2cccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)c2)CC1 Show InChI InChI=1S/C26H29FN6O2/c1-3-24(34)29-19-6-4-7-20(14-19)30-25-23(27)16-28-26(32-25)31-21-8-5-9-22(15-21)35-17-18-10-12-33(2)13-11-18/h3-9,14-16,18H,1,10-13,17H2,2H3,(H,29,34)(H2,28,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397162 (US10596172, Compound I-76 | US10828300, Compound I...) Show SMILES CN1CCCC(COc2cccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)c2)C1 Show InChI InChI=1S/C26H29FN6O2/c1-3-24(34)29-19-8-4-9-20(13-19)30-25-23(27)15-28-26(32-25)31-21-10-5-11-22(14-21)35-17-18-7-6-12-33(2)16-18/h3-5,8-11,13-15,18H,1,6-7,12,16-17H2,2H3,(H,29,34)(H2,28,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397164 (US10596172, Compound I-78 | US10828300, Compound I...) Show SMILES CN1CCC(COc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cn2)CC1 Show InChI InChI=1S/C25H28FN7O2/c1-3-22(34)29-18-5-4-6-19(13-18)30-24-21(26)15-28-25(32-24)31-20-7-8-23(27-14-20)35-16-17-9-11-33(2)12-10-17/h3-8,13-15,17H,1,9-12,16H2,2H3,(H,29,34)(H2,28,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397166 (US10596172, Compound I-97 | US10828300, Compound I...) Show SMILES CS(=O)(=O)CCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1 Show InChI InChI=1S/C22H23FN6O4S/c1-3-19(30)26-15-6-4-7-16(12-15)27-21-18(23)14-25-22(29-21)28-17-8-9-20(24-13-17)33-10-5-11-34(2,31)32/h3-4,6-9,12-14H,1,5,10-11H2,2H3,(H,26,30)(H2,25,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397169 (US10596172, Compound I-90 | US10828300, Compound I...) Show SMILES CN1CCC(COc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cc2)CC1 Show InChI InChI=1S/C26H29FN6O2/c1-3-24(34)29-20-5-4-6-21(15-20)30-25-23(27)16-28-26(32-25)31-19-7-9-22(10-8-19)35-17-18-11-13-33(2)14-12-18/h3-10,15-16,18H,1,11-14,17H2,2H3,(H,29,34)(H2,28,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397197 (US10596172, Compound I-138 | US10828300, Compound ...) Show SMILES CS(=O)(=O)CCCOc1cccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)c1 Show InChI InChI=1S/C23H24FN5O4S/c1-3-21(30)26-16-7-4-8-17(13-16)27-22-20(24)15-25-23(29-22)28-18-9-5-10-19(14-18)33-11-6-12-34(2,31)32/h3-5,7-10,13-15H,1,6,11-12H2,2H3,(H,26,30)(H2,25,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397183 (US10596172, Compound I-121 | US10828300, Compound ...) Show SMILES CC(=O)c1cnc(Nc2ccc(OCCO)nc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C22H22N6O4/c1-3-19(31)25-15-5-4-6-16(11-15)26-21-18(14(2)30)13-24-22(28-21)27-17-7-8-20(23-12-17)32-10-9-29/h3-8,11-13,29H,1,9-10H2,2H3,(H,25,31)(H2,24,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397184 (US10596172, Compound I-122 | US10828300, Compound ...) Show SMILES COCCOc1ccc(Nc2ncc(C(C)=O)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1 Show InChI InChI=1S/C23H24N6O4/c1-4-20(31)26-16-6-5-7-17(12-16)27-22-19(15(2)30)14-25-23(29-22)28-18-8-9-21(24-13-18)33-11-10-32-3/h4-9,12-14H,1,10-11H2,2-3H3,(H,26,31)(H2,25,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397185 (US10596172, Compound I-124 | US10828300, Compound ...) Show SMILES COCCOc1ccc(Nc2ncc(C(C)=O)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C24H25N5O4/c1-4-22(31)26-18-6-5-7-19(14-18)27-23-21(16(2)30)15-25-24(29-23)28-17-8-10-20(11-9-17)33-13-12-32-3/h4-11,14-15H,1,12-13H2,2-3H3,(H,26,31)(H2,25,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397191 (US10596172, Compound I-128 | US10828300, Compound ...) Show SMILES CC(=O)c1cnc(Nc2ccc(OCCO)nc2)nc1Nc1ccc2OCCN(C(=O)C=C)c2c1 Show InChI InChI=1S/C24H24N6O5/c1-3-22(33)30-8-10-34-20-6-4-16(12-19(20)30)27-23-18(15(2)32)14-26-24(29-23)28-17-5-7-21(25-13-17)35-11-9-31/h3-7,12-14,31H,1,8-11H2,2H3,(H2,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397192 (US10596172, Compound I-129 | US10828300, Compound ...) Show SMILES CC(=O)c1cnc(Nc2ccc3NC(=O)Cc3c2)nc1Nc1ccc2OCCN(C(=O)C=C)c2c1 Show InChI InChI=1S/C25H22N6O4/c1-3-23(34)31-8-9-35-21-7-5-17(12-20(21)31)27-24-18(14(2)32)13-26-25(30-24)28-16-4-6-19-15(10-16)11-22(33)29-19/h3-7,10,12-13H,1,8-9,11H2,2H3,(H,29,33)(H2,26,27,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397193 (US10596172, Compound I-131 | US10828300, Compound ...) Show SMILES COCCOc1ccc(Nc2ncc(C3CC3)c(Oc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C25H26N4O4/c1-3-23(30)27-19-5-4-6-21(15-19)33-24-22(17-7-8-17)16-26-25(29-24)28-18-9-11-20(12-10-18)32-14-13-31-2/h3-6,9-12,15-17H,1,7-8,13-14H2,2H3,(H,27,30)(H,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397198 (US10596172, Compound I-139 | US10828300, Compound ...) Show SMILES COCCOc1ccc(Nc2ncc(C3CC3)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C25H27N5O3/c1-3-23(31)27-19-5-4-6-20(15-19)28-24-22(17-7-8-17)16-26-25(30-24)29-18-9-11-21(12-10-18)33-14-13-32-2/h3-6,9-12,15-17H,1,7-8,13-14H2,2H3,(H,27,31)(H2,26,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397200 (US10596172, Compound I-142 | US10828300, Compound ...) Show SMILES CN(C(=O)C(F)(F)F)c1ccc(Nc2ncc(C(C)=O)c(Nc3ccc4OCCN(C(=O)C=C)c4c3)n2)cn1 Show InChI InChI=1S/C25H22F3N7O4/c1-4-21(37)35-9-10-39-19-7-5-15(11-18(19)35)31-22-17(14(2)36)13-30-24(33-22)32-16-6-8-20(29-12-16)34(3)23(38)25(26,27)28/h4-8,11-13H,1,9-10H2,2-3H3,(H2,30,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397203 (US10596172, Compound I-147 | US10828300, Compound ...) Show SMILES Fc1cnc(Nc2cccc(Cl)c2)nc1N[C@@H]1CCCN(C1)C(=O)C=C |r| Show InChI InChI=1S/C18H19ClFN5O/c1-2-16(26)25-8-4-7-14(11-25)22-17-15(20)10-21-18(24-17)23-13-6-3-5-12(19)9-13/h2-3,5-6,9-10,14H,1,4,7-8,11H2,(H2,21,22,23,24)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397205 (US10596172, Compound I-150 | US10828300, Compound ...) Show SMILES COCCOc1ccc(Nc2ncc(C(C)=O)c(Nc3ccc4OCCN(C(=O)C=C)c4c3)n2)cc1 Show InChI InChI=1S/C26H27N5O5/c1-4-24(33)31-11-12-36-23-10-7-19(15-22(23)31)28-25-21(17(2)32)16-27-26(30-25)29-18-5-8-20(9-6-18)35-14-13-34-3/h4-10,15-16H,1,11-14H2,2-3H3,(H2,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397207 (US10596172, Compound I-152 | US10828300, Compound ...) Show SMILES CC(=O)c1cnc(Nc2ccc(cc2)N2CCCC2=O)nc1Nc1ccc2OCCN(C(=O)C=C)c2c1 Show InChI InChI=1S/C27H26N6O4/c1-3-24(35)33-13-14-37-23-11-8-19(15-22(23)33)29-26-21(17(2)34)16-28-27(31-26)30-18-6-9-20(10-7-18)32-12-4-5-25(32)36/h3,6-11,15-16H,1,4-5,12-14H2,2H3,(H2,28,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397208 (US10596172, Compound I-153 | US10828300, Compound ...) Show SMILES CC(=O)c1cnc(Nc2ccc3[nH]ncc3c2)nc1Nc1ccc2OCCN(C(=O)C=C)c2c1 Show InChI InChI=1S/C24H21N7O3/c1-3-22(33)31-8-9-34-21-7-5-17(11-20(21)31)27-23-18(14(2)32)13-25-24(29-23)28-16-4-6-19-15(10-16)12-26-30-19/h3-7,10-13H,1,8-9H2,2H3,(H,26,30)(H2,25,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397209 (US10596172, Compound I-154 | US10828300, Compound ...) Show SMILES CC(=O)c1cnc(Nc2ccc3n(C)ncc3c2)nc1Nc1ccc2OCCN(C(=O)C=C)c2c1 Show InChI InChI=1S/C25H23N7O3/c1-4-23(34)32-9-10-35-22-8-6-18(12-21(22)32)28-24-19(15(2)33)14-26-25(30-24)29-17-5-7-20-16(11-17)13-27-31(20)3/h4-8,11-14H,1,9-10H2,2-3H3,(H2,26,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397210 (US10596172, Compound I-155 | US10828300, Compound ...) Show SMILES Cn1ncc2cc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)ccc12 Show InChI InChI=1S/C21H18FN7O/c1-3-19(30)25-14-5-4-6-15(10-14)26-20-17(22)12-23-21(28-20)27-16-7-8-18-13(9-16)11-24-29(18)2/h3-12H,1H2,2H3,(H,25,30)(H2,23,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397211 (US10596172, Compound I-156 | US10828300, Compound ...) Show SMILES Fc1cnc(Nc2ccc3[nH]ncc3c2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C20H16FN7O/c1-2-18(29)24-13-4-3-5-14(9-13)25-19-16(21)11-22-20(27-19)26-15-6-7-17-12(8-15)10-23-28-17/h2-11H,1H2,(H,23,28)(H,24,29)(H2,22,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397212 (US10596172, Compound I-157 | US10828300, Compound ...) Show SMILES C=CC(=O)Nc1cccc(Nc2nc(Nc3ccccc3)ncc2C#N)c1 Show InChI InChI=1S/C20H16N6O/c1-2-18(27)23-16-9-6-10-17(11-16)24-19-14(12-21)13-22-20(26-19)25-15-7-4-3-5-8-15/h2-11,13H,1H2,(H,23,27)(H2,22,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397215 (US10596172, Compound I-160 | US10828300, Compound ...) Show SMILES NS(=O)(=O)c1cccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)c1 Show InChI InChI=1S/C19H17FN6O3S/c1-2-17(27)23-12-5-3-6-13(9-12)24-18-16(20)11-22-19(26-18)25-14-7-4-8-15(10-14)30(21,28)29/h2-11H,1H2,(H,23,27)(H2,21,28,29)(H2,22,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM437828 (US10596172, Compound I-162 | US10828300, Compound ...) Show SMILES Fc1cnc(Nc2cccc(OCCCN3CCCC3=O)c2)nc1Oc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C26H26FN5O4/c1-2-23(33)29-18-7-4-10-21(16-18)36-25-22(27)17-28-26(31-25)30-19-8-3-9-20(15-19)35-14-6-13-32-12-5-11-24(32)34/h2-4,7-10,15-17H,1,5-6,11-14H2,(H,29,33)(H,28,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397219 (US10596172, Compound I-165 | US10828300, Compound ...) Show SMILES COc1ccc(Nc2ncc(F)c(Nc3ccc4CN(Cc4c3)C(=O)C=C)n2)cn1 Show InChI InChI=1S/C21H19FN6O2/c1-3-19(29)28-11-13-4-5-15(8-14(13)12-28)25-20-17(22)10-24-21(27-20)26-16-6-7-18(30-2)23-9-16/h3-10H,1,11-12H2,2H3,(H2,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397220 (US10596172, Compound I-166 | US10828300, Compound ...) Show SMILES COc1ccc(Nc2ncc(F)c(Nc3ccc4CCN(C(=O)C=C)c4c3)n2)cn1 Show InChI InChI=1S/C21H19FN6O2/c1-3-19(29)28-9-8-13-4-5-14(10-17(13)28)25-20-16(22)12-24-21(27-20)26-15-6-7-18(30-2)23-11-15/h3-7,10-12H,1,8-9H2,2H3,(H2,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397221 (US10596172, Compound I-167 | US10828300, Compound ...) Show SMILES COc1ccc(Nc2ncc(C3CC3)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1 Show InChI InChI=1S/C22H22N6O2/c1-3-19(29)25-15-5-4-6-16(11-15)26-21-18(14-7-8-14)13-24-22(28-21)27-17-9-10-20(30-2)23-12-17/h3-6,9-14H,1,7-8H2,2H3,(H,25,29)(H2,24,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 747 total )  |  Next  |  Last  >>

Jump to: