Compile Data Set for Download or QSAR

Found 517 hits with Last Name = 'ulrich' and Initial = 'r'   

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
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50386178 (CHEMBL1800346 | ONO-1714) Show SMILES C[C@H]1CC(N)=N[C@@H]2[C@H](Cl)[C@H]12 |r,c:4| Show InChI InChI=1S/C7H11ClN2/c1-3-2-4(9)10-7-5(3)6(7)8/h3,5-7H,2H2,1H3,(H2,9,10)/t3-,5?,6+,7-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of human iNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting				Bioorg Med Chem Lett 21: 4228-32 (2011) Article DOI: 10.1016/j.bmcl.2011.05.073 BindingDB Entry DOI: 10.7270/Q2H996GJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM119781 (US8691829, 4b) Show SMILES CC(Nc1ncnc2nc[nH]c12)c1nc2cccc(C)c2c(=O)n1-c1ccccc1 Show InChI InChI=1S/C22H19N7O/c1-13-7-6-10-16-17(13)22(30)29(15-8-4-3-5-9-15)21(28-16)14(2)27-20-18-19(24-11-23-18)25-12-26-20/h3-12,14H,1-2H3,(H2,23,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Calistoga LLC US Patent					Assay Description The relative efficacies of compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining the concent...				US Patent US8691829 (2014) BindingDB Entry DOI: 10.7270/Q2VM49XX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM119780 (US8691829, 3e) Show SMILES CC(Nc1ncnc2nc[nH]c12)c1nc2ccsc2c(=O)n1-c1ccccc1 Show InChI InChI=1S/C19H15N7OS/c1-11(24-17-14-16(21-9-20-14)22-10-23-17)18-25-13-7-8-28-15(13)19(27)26(18)12-5-3-2-4-6-12/h2-11H,1H3,(H2,20,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Calistoga LLC US Patent					Assay Description The relative efficacies of compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining the concent...				US Patent US8691829 (2014) BindingDB Entry DOI: 10.7270/Q2VM49XX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50403092 (CHEMBL2216871 | US8691829, 4a) Show SMILES CC(c1nc2cccc(C)c2c(=O)n1-c1ccccc1)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C22H19N7O/c1-13-7-6-10-16-17(13)22(30)29(15-8-4-3-5-9-15)20(27-16)14(2)28-12-26-18-19(23)24-11-25-21(18)28/h3-12,14H,1-2H3,(H2,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Calistoga LLC US Patent					Assay Description The relative efficacies of compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining the concent...				US Patent US8691829 (2014) BindingDB Entry DOI: 10.7270/Q2VM49XX
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50386178 (CHEMBL1800346 | ONO-1714) Show SMILES C[C@H]1CC(N)=N[C@@H]2[C@H](Cl)[C@H]12 |r,c:4| Show InChI InChI=1S/C7H11ClN2/c1-3-2-4(9)10-7-5(3)6(7)8/h3,5-7H,2H2,1H3,(H2,9,10)/t3-,5?,6+,7-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of human eNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation counting				Bioorg Med Chem Lett 21: 4228-32 (2011) Article DOI: 10.1016/j.bmcl.2011.05.073 BindingDB Entry DOI: 10.7270/Q2H996GJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM119779 (US8691829, 3d) Show SMILES CC(c1nc2ccsc2c(=O)n1-c1ccccc1)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C19H15N7OS/c1-11(25-10-23-14-16(20)21-9-22-18(14)25)17-24-13-7-8-28-15(13)19(27)26(17)12-5-3-2-4-6-12/h2-11H,1H3,(H2,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Calistoga LLC US Patent					Assay Description The relative efficacies of compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining the concent...				US Patent US8691829 (2014) BindingDB Entry DOI: 10.7270/Q2VM49XX
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210] (Homo sapiens (Human))	BDBM112499 (DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1 Show InChI InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB WIPO WO2022090481	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...				Citation and Details BindingDB Entry DOI: 10.7270/Q2765JH3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor [1-18,20-1210] (Homo sapiens (Human))	BDBM50322823 ((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB WIPO WO2022090481	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...				Citation and Details BindingDB Entry DOI: 10.7270/Q2765JH3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM50322823 ((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB WIPO WO2022090481	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...				Citation and Details BindingDB Entry DOI: 10.7270/Q2765JH3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM112499 (DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1 Show InChI InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB WIPO WO2022090481	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...				Citation and Details BindingDB Entry DOI: 10.7270/Q2765JH3
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D (Homo sapiens (Human))	BDBM50473381 (CHEMBL314936) Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-n1ccnc1)C1=NN(C2CCCCCC2)C(=O)C2CC=CCC12 |c:43,t:28| Show InChI InChI=1S/C35H42N4O4/c1-41-32-19-14-26(34-30-12-6-7-13-31(30)35(40)39(37-34)28-10-4-2-3-5-11-28)24-33(32)43-23-9-8-22-42-29-17-15-27(16-18-29)38-21-20-36-25-38/h6-7,14-21,24-25,28,30-31H,2-5,8-13,22-23H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of phosphodiesterase 4 (PDE4) in human neutrophils				J Med Chem 44: 2523-35 (2001) Article DOI: 10.1021/jm010838c BindingDB Entry DOI: 10.7270/Q23N2644
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D (Homo sapiens (Human))	BDBM50473369 (CHEMBL82399) Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)C(O)=O)C1=NN(C2CCCCCC2)C(=O)C2CC=CCC12 |c:40,t:25| Show InChI InChI=1S/C33H40N2O6/c1-39-29-19-16-24(22-30(29)41-21-9-8-20-40-26-17-14-23(15-18-26)33(37)38)31-27-12-6-7-13-28(27)32(36)35(34-31)25-10-4-2-3-5-11-25/h6-7,14-19,22,25,27-28H,2-5,8-13,20-21H2,1H3,(H,37,38)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.316	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of phosphodiesterase 4 (PDE4) in human neutrophils				J Med Chem 44: 2523-35 (2001) Article DOI: 10.1021/jm010838c BindingDB Entry DOI: 10.7270/Q23N2644
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D (Homo sapiens (Human))	BDBM50473375 (CHEMBL312886) Show SMILES COc1ccc(cc1OCCCCCCOc1ccc(cc1)C(N)=O)C1=NN(C2CCCCCC2)C(=O)C2CC=CCC12 |c:42,t:27| Show InChI InChI=1S/C35H45N3O5/c1-41-31-21-18-26(24-32(31)43-23-11-5-4-10-22-42-28-19-16-25(17-20-28)34(36)39)33-29-14-8-9-15-30(29)35(40)38(37-33)27-12-6-2-3-7-13-27/h8-9,16-21,24,27,29-30H,2-7,10-15,22-23H2,1H3,(H2,36,39)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.316	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of phosphodiesterase 4 (PDE4) in human neutrophils				J Med Chem 44: 2523-35 (2001) Article DOI: 10.1021/jm010838c BindingDB Entry DOI: 10.7270/Q23N2644
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210] (Homo sapiens (Human))	BDBM50029668 (AZD-9291 | Osimertinib | US10085983, Compound AZD-...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB WIPO WO2022090481	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...				Citation and Details BindingDB Entry DOI: 10.7270/Q2765JH3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S] (Homo sapiens (Human))	BDBM547815 (WO2022090481, Example I-030) Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(nc2c(n1)N1CCOCC1)[C@@H]1CN(C)CC(F)(F)C1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022090481	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 °C in 5 % CO2 atmosphere. ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2765JH3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50322823 ((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB WIPO WO2022090481	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...				Citation and Details BindingDB Entry DOI: 10.7270/Q2765JH3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S] (Homo sapiens (Human))	BDBM547876 (WO2022090481, Example I-095) Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(C(=O)N3CC[C@@H](O)C3)c(C)c2c(n1)C(C)C |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022090481	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 °C in 5 % CO2 atmosphere. ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2765JH3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S] (Homo sapiens (Human))	BDBM547877 (WO2022090481, Example I-096) Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(C(=O)N3CCN(CC3)C3COC3)c(C)c2c(n1)C(C)C Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022090481	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 °C in 5 % CO2 atmosphere. ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2765JH3
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D (Homo sapiens (Human))	BDBM50473364 (CHEMBL315762) Show SMILES COc1ccc(c2CC3(CCCC3)Oc12)C1=NN(C2CCCCCC2)C(=O)C2CC=CCC12 |c:33,t:18| Show InChI InChI=1S/C28H36N2O3/c1-32-24-15-14-21(23-18-28(33-26(23)24)16-8-9-17-28)25-20-12-6-7-13-22(20)27(31)30(29-25)19-10-4-2-3-5-11-19/h6-7,14-15,19-20,22H,2-5,8-13,16-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of phosphodiesterase 4 (PDE4) in human neutrophils				J Med Chem 44: 2523-35 (2001) Article DOI: 10.1021/jm010838c BindingDB Entry DOI: 10.7270/Q23N2644
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D (Homo sapiens (Human))	BDBM50397108 (CHEMBL85005) Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C2CC=CCC12 |c:43,t:28| Show InChI InChI=1S/C33H40N6O4/c1-41-29-19-16-24(31-27-12-6-7-13-28(27)33(40)39(36-31)25-10-4-2-3-5-11-25)22-30(29)43-21-9-8-20-42-26-17-14-23(15-18-26)32-34-37-38-35-32/h6-7,14-19,22,25,27-28H,2-5,8-13,20-21H2,1H3,(H,34,35,37,38)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of phosphodiesterase 4 (PDE4) in human neutrophils				J Med Chem 44: 2523-35 (2001) Article DOI: 10.1021/jm010838c BindingDB Entry DOI: 10.7270/Q23N2644
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM112499 (DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1 Show InChI InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB WIPO WO2022090481	n/a	n/a	0.640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...				Citation and Details BindingDB Entry DOI: 10.7270/Q2765JH3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S] (Homo sapiens (Human))	BDBM547878 (WO2022090481, Example I-097) Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(C(=O)N3CC[C@H](O)C3)c(C)c2c(n1)C(C)C |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022090481	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 °C in 5 % CO2 atmosphere. ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2765JH3
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D (Homo sapiens (Human))	BDBM50473377 (CHEMBL314782) Show SMILES COc1ccc(cc1OC)C1=NN(C2CCCCCC2)C(=O)C2CC=CCC12 |c:26,t:11| Show InChI InChI=1S/C23H30N2O3/c1-27-20-14-13-16(15-21(20)28-2)22-18-11-7-8-12-19(18)23(26)25(24-22)17-9-5-3-4-6-10-17/h7-8,13-15,17-19H,3-6,9-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of phosphodiesterase 4 (PDE4) in human neutrophils				J Med Chem 44: 2523-35 (2001) Article DOI: 10.1021/jm010838c BindingDB Entry DOI: 10.7270/Q23N2644
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S] (Homo sapiens (Human))	BDBM547879 (WO2022090481, Example I-098) Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(C(=O)N3CCS(=O)CC3)c(C)c2c(n1)C(C)C Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022090481	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 °C in 5 % CO2 atmosphere. ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2765JH3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S] (Homo sapiens (Human))	BDBM547814 (WO2022090481, Example I-029) Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(nc2c(n1)N1C[C@H]2C[C@@H]1CO2)N1CCNCC1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022090481	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 °C in 5 % CO2 atmosphere. ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2765JH3
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D (Homo sapiens (Human))	BDBM50473370 (CHEMBL84556) Show SMILES COc1ccc(c2CC(C)(C)Oc12)C1=NN(C2CCCCCC2)C(=O)C2CC=CCC12 |c:30,t:15| Show InChI InChI=1S/C26H34N2O3/c1-26(2)16-21-19(14-15-22(30-3)24(21)31-26)23-18-12-8-9-13-20(18)25(29)28(27-23)17-10-6-4-5-7-11-17/h8-9,14-15,17-18,20H,4-7,10-13,16H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of phosphodiesterase 4 (PDE4) in human neutrophils				J Med Chem 44: 2523-35 (2001) Article DOI: 10.1021/jm010838c BindingDB Entry DOI: 10.7270/Q23N2644
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S] (Homo sapiens (Human))	BDBM547807 (WO2022090481, Example I-022 | WO2022090481, Exampl...) Show SMILES COCCN1CCN(CC1)c1nc2c(nc(cc2n1C)-n1ncc2c(C)nc(cc12)-c1cnccc1OC)N1C[C@H]2C[C@@H]1CO2 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022090481	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 °C in 5 % CO2 atmosphere. ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2765JH3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S] (Homo sapiens (Human))	BDBM547880 (WO2022090481, Example I-099) Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(C(=O)N3CCN(CC3)C(C)=O)c(C)c2c(n1)C(C)C Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022090481	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 °C in 5 % CO2 atmosphere. ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2765JH3
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D (Homo sapiens (Human))	BDBM50473374 (CHEMBL263811) Show SMILES COc1ccc(cc1OCC1CC1)C1=NN(C2CCCCCC2)C(=O)C2CC=CCC12 |c:30,t:15| Show InChI InChI=1S/C26H34N2O3/c1-30-23-15-14-19(16-24(23)31-17-18-12-13-18)25-21-10-6-7-11-22(21)26(29)28(27-25)20-8-4-2-3-5-9-20/h6-7,14-16,18,20-22H,2-5,8-13,17H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of phosphodiesterase 4 (PDE4) in human neutrophils				J Med Chem 44: 2523-35 (2001) Article DOI: 10.1021/jm010838c BindingDB Entry DOI: 10.7270/Q23N2644
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S] (Homo sapiens (Human))	BDBM547838 (WO2022090481, Example I-053) Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)cnc2c(n1)C(C)C Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022090481	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 °C in 5 % CO2 atmosphere. ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2765JH3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S] (Homo sapiens (Human))	BDBM547810 (WO2022090481, Example I-025) Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(nc2c(n1)N1C[C@H]2C[C@@H]1CO2)N1CCN(CCO)CC1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022090481	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 °C in 5 % CO2 atmosphere. ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2765JH3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S] (Homo sapiens (Human))	BDBM547883 (WO2022090481, Example I-102) Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(C(=O)N3CCOCC3)c(C)c2c(n1)C1CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022090481	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 °C in 5 % CO2 atmosphere. ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2765JH3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S] (Homo sapiens (Human))	BDBM547882 (WO2022090481, Example I-101) Show SMILES CCCc1nc(cc2n(C)c(C(=O)N3CCNCC3)c(C)c12)-n1ncc2c(C)nc(cc12)-c1cnccc1OC Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022090481	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 °C in 5 % CO2 atmosphere. ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2765JH3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S] (Homo sapiens (Human))	BDBM547881 (WO2022090481, Example I-100) Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(C(=O)N3CCCC3)c(C)c2c(n1)C1CCOCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022090481	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 °C in 5 % CO2 atmosphere. ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2765JH3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S] (Homo sapiens (Human))	BDBM547863 (WO2022090481, Example I-081) Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cn2c(C)c(C(=O)N3CCN(C)CC3)c(C)c2c(n1)N1CCOCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022090481	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 °C in 5 % CO2 atmosphere. ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2765JH3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S] (Homo sapiens (Human))	BDBM547862 (WO2022090481, Example I-080) Show SMILES CNC(=O)c1c(C)c2c(nc(cn2c1C)-n1ncc2c(C)nc(cc12)-c1cnccc1OC)N1CCOCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022090481	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 °C in 5 % CO2 atmosphere. ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2765JH3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210] (Homo sapiens (Human))	BDBM547941 (WO2022090481, Example I-162) Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(nc2c(n1)N1C[C@H]2C[C@@H]1CO2)N1CCN2CCC[C@@H]2C1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MCE PC cid PC sid UniChem	WIPO WO2022090481	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...				Citation and Details BindingDB Entry DOI: 10.7270/Q2765JH3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210] (Homo sapiens (Human))	BDBM50160870 (CHEMBL3787344 | US11896597, Compound EGF816 | WO20...) Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(C)c2)nc2cccc(Cl)c12 |r| Show InChI InChI=1S/C26H31ClN6O2/c1-18-16-19(12-13-28-18)25(35)30-26-29-22-10-6-9-21(27)24(22)33(26)20-8-4-5-15-32(17-20)23(34)11-7-14-31(2)3/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35)/b11-7+/t20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	WIPO WO2022090481	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...				Citation and Details BindingDB Entry DOI: 10.7270/Q2765JH3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM50029668 (AZD-9291 | Osimertinib | US10085983, Compound AZD-...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB WIPO WO2022090481	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...				Citation and Details BindingDB Entry DOI: 10.7270/Q2765JH3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor [1-18,20-1210,C797S] (Homo sapiens (Human))	BDBM547941 (WO2022090481, Example I-162) Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(nc2c(n1)N1C[C@H]2C[C@@H]1CO2)N1CCN2CCC[C@@H]2C1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MCE PC cid PC sid UniChem	WIPO WO2022090481	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...				Citation and Details BindingDB Entry DOI: 10.7270/Q2765JH3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S] (Homo sapiens (Human))	BDBM547816 (WO2022090481, Example I-031) Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(C)nc2c(n1)N1CCOC[C@@H]1C |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022090481	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 °C in 5 % CO2 atmosphere. ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2765JH3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S] (Homo sapiens (Human))	BDBM547865 (WO2022090481, Example I-084) Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(C(=O)N3CCCC3)c(C)c2c(n1)N1CCOCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022090481	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 °C in 5 % CO2 atmosphere. ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2765JH3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S] (Homo sapiens (Human))	BDBM547885 (WO2022090481, Example I-104) Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(C(=O)N3CCN(C)CC3)c(C)c2c(n1)C(C)C Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022090481	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 °C in 5 % CO2 atmosphere. ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2765JH3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S] (Homo sapiens (Human))	BDBM547884 (WO2022090481, Example I-103) Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(C(=O)N3CCOCC3)c(C)c2c(n1)C(C)C Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022090481	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 °C in 5 % CO2 atmosphere. ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2765JH3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S] (Homo sapiens (Human))	BDBM547866 (WO2022090481, Example I-085) Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(C(=O)N3CCC3)c(C)c2c(n1)N1CCOCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022090481	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 °C in 5 % CO2 atmosphere. ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2765JH3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S] (Homo sapiens (Human))	BDBM547867 (WO2022090481, Example I-086) Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(C(=O)N(C)C)c(C)c2c(n1)N1CCOCC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022090481	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 °C in 5 % CO2 atmosphere. ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2765JH3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S] (Homo sapiens (Human))	BDBM547886 (WO2022090481, Example I-105) Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(C(=O)N3CCNCC3)c(C)c2c(n1)C(C)C Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022090481	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 °C in 5 % CO2 atmosphere. ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2765JH3
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D (Homo sapiens (Human))	BDBM50473379 (CHEMBL421347) Show SMILES COc1ccc(cc1OC1CCCC1)C1=NN(C2CCCCCC2)C(=O)C2CC=CCC12 |c:31,t:16| Show InChI InChI=1S/C27H36N2O3/c1-31-24-17-16-19(18-25(24)32-21-12-6-7-13-21)26-22-14-8-9-15-23(22)27(30)29(28-26)20-10-4-2-3-5-11-20/h8-9,16-18,20-23H,2-7,10-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	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
Vrije Universiteit Curated by ChEMBL					Assay Description Inhibition of phosphodiesterase 4 (PDE4) in human neutrophils				J Med Chem 44: 2523-35 (2001) Article DOI: 10.1021/jm010838c BindingDB Entry DOI: 10.7270/Q23N2644
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S] (Homo sapiens (Human))	BDBM547839 (WO2022090481, Example I-054) Show SMILES CCCc1nc(cc2n(C)c(nc12)C1CCN(C)CC1)-n1ncc2c(C)nc(cc12)-c1cnccc1OC Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022090481	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 °C in 5 % CO2 atmosphere. ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2765JH3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S] (Homo sapiens (Human))	BDBM547887 (WO2022090481, Example I-106) Show SMILES COc1ccncc1-c1cc2n(ncc2c(C)n1)-c1cc2n(C)c(C(=O)N3CCCC3)c(C)c2c(n1)C1CCOC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022090481	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ba/F3 cells were ordered from DSMZ (ACC300, Lot17) and grown in RPMI-1640 (ATCC 30-2001) + 10 % FCS + 10 ng/ml IL-3 at 37 °C in 5 % CO2 atmosphere. ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2765JH3
					More data for this Ligand-Target Pair

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