Compile Data Set for Download or QSAR

Found 248 hits Enz. Inhib. hit(s) with all data for entry = 9506   

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))	BDBM397142 (US10596172, Compound I-1 | US10828300, Compound I-...) Show SMILES Cc1cccc(Nc2ccnc(Nc3cccc(NC(=O)C=C)c3)n2)c1 Show InChI InChI=1S/C20H19N5O/c1-3-19(26)23-16-8-5-9-17(13-16)24-20-21-11-10-18(25-20)22-15-7-4-6-14(2)12-15/h3-13H,1H2,2H3,(H,23,26)(H2,21,22,24,25)	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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397143 (US10596172, Compound I-8 | US10828300, Compound I-...) Show SMILES Cc1cccc(Nc2nc(Nc3cccc(NC(=O)C=C)c3)ncc2C)c1 Show InChI InChI=1S/C21H21N5O/c1-4-19(27)23-17-9-6-10-18(12-17)25-21-22-13-15(3)20(26-21)24-16-8-5-7-14(2)11-16/h4-13H,1H2,2-3H3,(H,23,27)(H2,22,24,25,26)	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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397288 (US10596172, Compound I-3 | US10828300, Compound I-...) Show SMILES Cc1cccc(Nc2nc(Nc3cccc(NC(=O)C=C)c3)ncc2F)c1 Show InChI InChI=1S/C20H18FN5O/c1-3-18(27)23-15-8-5-9-16(11-15)25-20-22-12-17(21)19(26-20)24-14-7-4-6-13(2)10-14/h3-12H,1H2,2H3,(H,23,27)(H2,22,24,25,26)	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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397144 (US10596172, Compound I-4 | US10828300, Compound I-...) Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2ncc(F)c(Nc3cccc(C)c3)n2)c1 Show InChI InChI=1S/C23H25FN6O/c1-16-7-4-8-17(13-16)27-22-20(24)15-25-23(29-22)28-19-10-5-9-18(14-19)26-21(31)11-6-12-30(2)3/h4-11,13-15H,12H2,1-3H3,(H,26,31)(H2,25,27,28,29)/b11-6+	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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397289 (US10596172, Compound I-5 | US10828300, Compound I-...) Show SMILES Cc1cnc(Nc2cccc(NC(=O)C=C)c2)nc1Nc1ccccc1 Show InChI InChI=1S/C20H19N5O/c1-3-18(26)22-16-10-7-11-17(12-16)24-20-21-13-14(2)19(25-20)23-15-8-5-4-6-9-15/h3-13H,1H2,2H3,(H,22,26)(H2,21,23,24,25)	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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (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 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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397290 (US10828300, Compound I-8 | US11351168, Compound I-...) Show SMILES Cc1cccc(Nc2nc(Nc3cc(NC(=O)C=C)ccc3C)ncc2C)c1 Show InChI InChI=1S/C22H23N5O/c1-5-20(28)24-18-10-9-15(3)19(12-18)26-22-23-13-16(4)21(27-22)25-17-8-6-7-14(2)11-17/h5-13H,1H2,2-4H3,(H,24,28)(H2,23,25,26,27)	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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397291 (US10596172, Compound I-9 | US10828300, Compound I-...) Show SMILES Cc1cnc(Nc2cccc(NC(=O)C=C)c2)nc1Nc1cccc(Br)c1 Show InChI InChI=1S/C20H18BrN5O/c1-3-18(27)23-16-8-5-9-17(11-16)25-20-22-12-13(2)19(26-20)24-15-7-4-6-14(21)10-15/h3-12H,1H2,2H3,(H,23,27)(H2,22,24,25,26)	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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397293 (US10596172, Compound I-11 | US10828300, Compound I...) Show SMILES Cc1cnc(Nc2cccc(c2)S(N)(=O)=O)nc1Nc1ccc2CN(CCc2c1)C(=O)CCl Show InChI InChI=1S/C22H23ClN6O3S/c1-14-12-25-22(27-17-3-2-4-19(10-17)33(24,31)32)28-21(14)26-18-6-5-16-13-29(20(30)11-23)8-7-15(16)9-18/h2-6,9-10,12H,7-8,11,13H2,1H3,(H2,24,31,32)(H2,25,26,27,28)	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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397146 (US10596172, Compound I-27 | US10828300, Compound I...) Show SMILES Cc1cnc(Nc2ccccc2)nc1NC1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C19H23N5O/c1-3-17(25)24-11-7-10-16(13-24)21-18-14(2)12-20-19(23-18)22-15-8-5-4-6-9-15/h3-6,8-9,12,16H,1,7,10-11,13H2,2H3,(H2,20,21,22,23)	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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397147 (US10596172, Compound I-28 | US10828300, Compound I...) Show SMILES Fc1cnc(Nc2ccccc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C19H16FN5O/c1-2-17(26)22-14-9-6-10-15(11-14)23-18-16(20)12-21-19(25-18)24-13-7-4-3-5-8-13/h2-12H,1H2,(H,22,26)(H2,21,23,24,25)	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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (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 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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397149 (US10596172, Compound I-35 | US10828300, Compound I...) Show SMILES Cc1cnc(Nc2cccc(OCC#C)c2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C23H21N5O2/c1-4-12-30-20-11-7-10-19(14-20)27-23-24-15-16(3)22(28-23)26-18-9-6-8-17(13-18)25-21(29)5-2/h1,5-11,13-15H,2,12H2,3H3,(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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397150 (US10596172, Compound I-38 | US10828300, Compound I...) Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2nc(Nc3ccccc3)ncc2C)c1 Show InChI InChI=1S/C23H26N6O/c1-17-16-24-23(27-18-9-5-4-6-10-18)28-22(17)26-20-12-7-11-19(15-20)25-21(30)13-8-14-29(2)3/h4-13,15-16H,14H2,1-3H3,(H,25,30)(H2,24,26,27,28)/b13-8+	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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397151 (US10596172, Compound I-39 | US10828300, Compound I...) Show SMILES Cc1cnc(Nc2ccccc2)nc1Nc1ccc(NC(=O)C=C)cc1 Show InChI InChI=1S/C20H19N5O/c1-3-18(26)22-16-9-11-17(12-10-16)23-19-14(2)13-21-20(25-19)24-15-7-5-4-6-8-15/h3-13H,1H2,2H3,(H,22,26)(H2,21,23,24,25)	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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (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 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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397153 (US10596172, Compound I-45 | US10828300, Compound I...) Show SMILES Cc1cnc(Nc2cccc(OCCCNC(=O)OC(C)(C)C)c2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C28H34N6O4/c1-6-24(35)31-20-10-7-11-21(16-20)32-25-19(2)18-30-26(34-25)33-22-12-8-13-23(17-22)37-15-9-14-29-27(36)38-28(3,4)5/h6-8,10-13,16-18H,1,9,14-15H2,2-5H3,(H,29,36)(H,31,35)(H2,30,32,33,34)	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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397154 (US10596172, Compound I-54 | US10828300, Compound I...) Show SMILES Fc1cnc(Nc2ccc(O[C@H]3CCOC3)nc2)nc1Nc1cccc(NC(=O)C=C)c1 |r| Show InChI InChI=1S/C22H21FN6O3/c1-2-19(30)26-14-4-3-5-15(10-14)27-21-18(23)12-25-22(29-21)28-16-6-7-20(24-11-16)32-17-8-9-31-13-17/h2-7,10-12,17H,1,8-9,13H2,(H,26,30)(H2,25,27,28,29)/t17-/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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397155 (US10596172, Compound I-55 | US10828300, Compound I...) Show SMILES CS(=O)(=O)CCCOc1cc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1Cl Show InChI InChI=1S/C23H23ClFN5O4S/c1-3-21(31)27-15-6-4-7-16(12-15)28-22-19(25)14-26-23(30-22)29-17-8-9-18(24)20(13-17)34-10-5-11-35(2,32)33/h3-4,6-9,12-14H,1,5,10-11H2,2H3,(H,27,31)(H2,26,28,29,30)	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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397157 (US10596172, Compound I-69 | US10828300, Compound I...) Show SMILES Fc1cnc(Nc2ccc(O[C@@H]3CCOC3)nc2)nc1Nc1cccc(NC(=O)C=C)c1 |r| Show InChI InChI=1S/C22H21FN6O3/c1-2-19(30)26-14-4-3-5-15(10-14)27-21-18(23)12-25-22(29-21)28-16-6-7-20(24-11-16)32-17-8-9-31-13-17/h2-7,10-12,17H,1,8-9,13H2,(H,26,30)(H2,25,27,28,29)/t17-/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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (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 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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397298 (US10596172, Compound I-71 | US10828300, Compound I...) Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(c3)C(O)C(=C)C#N)n2)cc1 Show InChI InChI=1S/C23H22FN5O3/c1-15(13-25)21(30)16-4-3-5-18(12-16)27-22-20(24)14-26-23(29-22)28-17-6-8-19(9-7-17)32-11-10-31-2/h3-9,12,14,21,30H,1,10-11H2,2H3,(H2,26,27,28,29)	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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (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 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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (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 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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397299 (US10596172, Compound I-74 | US10828300, Compound I...) Show SMILES COc1cc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)ccc1Cl Show InChI InChI=1S/C20H17ClFN5O2/c1-3-18(28)24-12-5-4-6-13(9-12)25-19-16(22)11-23-20(27-19)26-14-7-8-15(21)17(10-14)29-2/h3-11H,1H2,2H3,(H,24,28)(H2,23,25,26,27)	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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM437748 (US10596172, Compound I-82 | US10828300, Compound I...) Show SMILES CN1CCC(COc2cccc(Nc3ncc(F)c(Oc4cccc(NC(=O)C=C)c4)n3)c2)CC1 Show InChI InChI=1S/C26H28FN5O3/c1-3-24(33)29-19-6-5-9-22(15-19)35-25-23(27)16-28-26(31-25)30-20-7-4-8-21(14-20)34-17-18-10-12-32(2)13-11-18/h3-9,14-16,18H,1,10-13,17H2,2H3,(H,29,33)(H,28,30,31)	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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (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 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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397163 (US10596172, Compound I-77 | US10828300, Compound I...) Show SMILES COCCN(C)c1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1 Show InChI InChI=1S/C22H24FN7O2/c1-4-20(31)26-15-6-5-7-16(12-15)27-21-18(23)14-25-22(29-21)28-17-8-9-19(24-13-17)30(2)10-11-32-3/h4-9,12-14H,1,10-11H2,2-3H3,(H,26,31)(H2,25,27,28,29)	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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (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 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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397165 (US10596172, Compound I-79 | US10828300, Compound I...) Show SMILES Fc1cnc(Nc2ccc(OC3CCC3)nc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C22H21FN6O2/c1-2-19(30)26-14-5-3-6-15(11-14)27-21-18(23)13-25-22(29-21)28-16-9-10-20(24-12-16)31-17-7-4-8-17/h2-3,5-6,9-13,17H,1,4,7-8H2,(H,26,30)(H2,25,27,28,29)	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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (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 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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM437747 (US10596172, Compound I-81 | US10828300, Compound I...) Show SMILES CN1CCCC(COc2cccc(Nc3ncc(F)c(Oc4cccc(NC(=O)C=C)c4)n3)c2)C1 Show InChI InChI=1S/C26H28FN5O3/c1-3-24(33)29-19-8-5-11-22(14-19)35-25-23(27)15-28-26(31-25)30-20-9-4-10-21(13-20)34-17-18-7-6-12-32(2)16-18/h3-5,8-11,13-15,18H,1,6-7,12,16-17H2,2H3,(H,29,33)(H,28,30,31)	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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (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 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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397302 (US10596172, Compound I-83 | US10828300, Compound I...) Show SMILES OCCN1CCN(CC1)c1cccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)c1 Show InChI InChI=1S/C25H28FN7O2/c1-2-23(35)28-18-5-3-6-19(15-18)29-24-22(26)17-27-25(31-24)30-20-7-4-8-21(16-20)33-11-9-32(10-12-33)13-14-34/h2-8,15-17,34H,1,9-14H2,(H,28,35)(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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397303 (US10596172, Compound I-84 | US10828300, Compound I...) Show SMILES OCCN1CCN(CC1)c1cccc(Nc2ncc(F)c(Oc3cccc(NC(=O)C=C)c3)n2)c1 Show InChI InChI=1S/C25H27FN6O3/c1-2-23(34)28-19-6-4-8-21(16-19)35-24-22(26)17-27-25(30-24)29-18-5-3-7-20(15-18)32-11-9-31(10-12-32)13-14-33/h2-8,15-17,33H,1,9-14H2,(H,28,34)(H,27,29,30)	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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397305 (US10596172, Compound I-86 | US10828300, Compound I...) Show SMILES Fc1cnc(Nc2ccc(OCc3ccccn3)c(Cl)c2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C25H20ClFN6O2/c1-2-23(34)30-16-7-5-8-17(12-16)31-24-21(27)14-29-25(33-24)32-18-9-10-22(20(26)13-18)35-15-19-6-3-4-11-28-19/h2-14H,1,15H2,(H,30,34)(H2,29,31,32,33)	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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397306 (US10596172, Compound I-87 | US10828300, Compound I...) Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3ccc(F)c(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C22H21F2N5O3/c1-3-20(30)28-19-12-15(6-9-17(19)23)26-21-18(24)13-25-22(29-21)27-14-4-7-16(8-5-14)32-11-10-31-2/h3-9,12-13H,1,10-11H2,2H3,(H,28,30)(H2,25,26,27,29)	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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397167 (US10596172, Compound I-88 | US10828300, Compound I...) Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)\C=C\CN4CC[C@H](O)C4)c3)n2)cc1 |r| Show InChI InChI=1S/C27H31FN6O4/c1-37-14-15-38-23-9-7-19(8-10-23)32-27-29-17-24(28)26(33-27)31-21-5-2-4-20(16-21)30-25(36)6-3-12-34-13-11-22(35)18-34/h2-10,16-17,22,35H,11-15,18H2,1H3,(H,30,36)(H2,29,31,32,33)/b6-3+/t22-/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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397168 (US10596172, Compound I-89 | US10828300, Compound I...) Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)\C=C\CN4CC[C@@H](O)C4)c3)n2)cc1 |r| Show InChI InChI=1S/C27H31FN6O4/c1-37-14-15-38-23-9-7-19(8-10-23)32-27-29-17-24(28)26(33-27)31-21-5-2-4-20(16-21)30-25(36)6-3-12-34-13-11-22(35)18-34/h2-10,16-17,22,35H,11-15,18H2,1H3,(H,30,36)(H2,29,31,32,33)/b6-3+/t22-/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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (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 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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397170 (US10596172, Compound I-91 | US10828300, Compound I...) Show SMILES CC(C)(CO)Oc1cccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)c1 Show InChI InChI=1S/C23H24FN5O3/c1-4-20(31)26-15-7-5-8-16(11-15)27-21-19(24)13-25-22(29-21)28-17-9-6-10-18(12-17)32-23(2,3)14-30/h4-13,30H,1,14H2,2-3H3,(H,26,31)(H2,25,27,28,29)	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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397307 (US10596172, Compound I-92 | US10828300, Compound I...) Show SMILES Fc1cnc(Nc2ccc(OCCN3CCCC3=O)cc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C25H25FN6O3/c1-2-22(33)28-18-5-3-6-19(15-18)29-24-21(26)16-27-25(31-24)30-17-8-10-20(11-9-17)35-14-13-32-12-4-7-23(32)34/h2-3,5-6,8-11,15-16H,1,4,7,12-14H2,(H,28,33)(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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397308 (US10596172, Compound I-93 | US10828300, Compound I...) Show SMILES CC(C)(CO)Oc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C23H24FN5O3/c1-4-20(31)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)32-23(2,3)14-30/h4-13,30H,1,14H2,2-3H3,(H,26,31)(H2,25,27,28,29)	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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397171 (US10596172, Compound I-94 | US10828300, Compound I...) Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3ccc4CCN(C(=O)C=C)c4c3)n2)cc1 Show InChI InChI=1S/C24H24FN5O3/c1-3-22(31)30-11-10-16-4-5-18(14-21(16)30)27-23-20(25)15-26-24(29-23)28-17-6-8-19(9-7-17)33-13-12-32-2/h3-9,14-15H,1,10-13H2,2H3,(H2,26,27,28,29)	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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397172 (US10596172, Compound I-243 | US10828300, Compound ...) Show SMILES COc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1 Show InChI InChI=1S/C19H17FN6O2/c1-3-16(27)23-12-5-4-6-13(9-12)24-18-15(20)11-22-19(26-18)25-14-7-8-17(28-2)21-10-14/h3-11H,1H2,2H3,(H,23,27)(H2,22,24,25,26)	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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397173 (US10596172, Compound I-96 | US10828300, Compound I...) Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1F Show InChI InChI=1S/C22H21F2N5O3/c1-3-20(30)26-14-5-4-6-15(11-14)27-21-18(24)13-25-22(29-21)28-16-7-8-19(17(23)12-16)32-10-9-31-2/h3-8,11-13H,1,9-10H2,2H3,(H,26,30)(H2,25,27,28,29)	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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397174 (US10828300, Compound I-97 | US11351168, Compound I...) Show SMILES CS(=O)(=O)CCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C23H24FN5O4S/c1-3-21(30)26-17-6-4-7-18(14-17)27-22-20(24)15-25-23(29-22)28-16-8-10-19(11-9-16)33-12-5-13-34(2,31)32/h3-4,6-11,14-15H,1,5,12-13H2,2H3,(H,26,30)(H2,25,27,28,29)	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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397310 (US10596172, Compound I-99 | US10828300, Compound I...) Show SMILES Cc1cccc(Nc2nc(Nc3cccc(NC(=O)\C=C\CN4CC[C@H](O)C4)c3)ncc2F)c1 |r| Show InChI InChI=1S/C25H27FN6O2/c1-17-5-2-6-18(13-17)29-24-22(26)15-27-25(31-24)30-20-8-3-7-19(14-20)28-23(34)9-4-11-32-12-10-21(33)16-32/h2-9,13-15,21,33H,10-12,16H2,1H3,(H,28,34)(H2,27,29,30,31)/b9-4+/t21-/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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397175 (US10596172, Compound I-103 | US10828300, Compound ...) Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cn1 Show InChI InChI=1S/C21H21FN6O3/c1-3-18(29)25-14-5-4-6-15(11-14)26-20-17(22)13-24-21(28-20)27-16-7-8-19(23-12-16)31-10-9-30-2/h3-8,11-13H,1,9-10H2,2H3,(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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397314 (US10596172, Compound I-104 | US10828300, Compound ...) Show SMILES Cc1cccc(Nc2nc(Nc3cccc(NC(=O)\C=C\CN4CC[C@@H](O)C4)c3)ncc2F)c1 |r| Show InChI InChI=1S/C25H27FN6O2/c1-17-5-2-6-18(13-17)29-24-22(26)15-27-25(31-24)30-20-8-3-7-19(14-20)28-23(34)9-4-11-32-12-10-21(33)16-32/h2-9,13-15,21,33H,10-12,16H2,1H3,(H,28,34)(H2,27,29,30,31)/b9-4+/t21-/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 US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 248 total )  |  Next  |  Last  >>

Jump to: