Compile Data Set for Download or QSAR

Found 368 hits with Last Name = 'duan' and Initial = 'x'   

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
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM642537 (US20230414794, Compound S2) Show SMILES OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](CNC(=O)C(O)=O)C(O)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50481609 (CHEMBL610504) Show SMILES CN1C(=O)c2ccc(Nc3ccc(I)cc3)cc2C1=O Show InChI InChI=1S/C15H11IN2O2/c1-18-14(19)12-7-6-11(8-13(12)15(18)20)17-10-4-2-9(16)3-5-10/h2-8,17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50304738 (2-(3-((S)-1-carboxy-3-methylbutyl)ureido)pentanedi...) Show SMILES CC(C)C[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C12H20N2O7/c1-6(2)5-8(11(19)20)14-12(21)13-7(10(17)18)3-4-9(15)16/h6-8H,3-5H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)(H2,13,14,21)/t7-,8-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB	3.53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50481608 (CHEMBL598081) Show SMILES CN1C(=O)c2ccc(Nc3ccc(Br)cc3)cc2C1=O Show InChI InChI=1S/C15H11BrN2O2/c1-18-14(19)12-7-6-11(8-13(12)15(18)20)17-10-4-2-9(16)3-5-10/h2-8,17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50481605 (CHEMBL598288) Show SMILES CN1C(=O)c2ccc(Nc3ccc(C)cc3)cc2C1=O Show InChI InChI=1S/C16H14N2O2/c1-10-3-5-11(6-4-10)17-12-7-8-13-14(9-12)16(20)18(2)15(13)19/h3-9,17H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM642538 (US20230414794, Compound S3) Show SMILES CC(C)C[C@H](NC(=O)N[C@@H](CNC(=O)C(O)=O)C(O)=O)C(O)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		5.69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM642536 (US20230414794, Compound S1) Show SMILES Nc1ccc2c(CC(=O)NCCCC[C@H](NC(=O)N[C@@H](CNC(=O)C(O)=O)C(O)=O)C(O)=O)cc(=O)oc2c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		5.96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50481604 (CHEMBL610505) Show SMILES CN1C(=O)c2ccc(Nc3ccccc3)cc2C1=O Show InChI InChI=1S/C15H12N2O2/c1-17-14(18)12-8-7-11(9-13(12)15(17)19)16-10-5-3-2-4-6-10/h2-9,16H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50481606 (CHEMBL598082) Show SMILES COc1ccc(Nc2ccc3C(=O)N(C)C(=O)c3c2)cc1 Show InChI InChI=1S/C16H14N2O3/c1-18-15(19)13-8-5-11(9-14(13)16(18)20)17-10-3-6-12(21-2)7-4-10/h3-9,17H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50481607 (CHEMBL598083) Show SMILES CN1C(=O)c2ccc(Nc3ccc(O)cc3)cc2C1=O Show InChI InChI=1S/C15H12N2O3/c1-17-14(19)12-7-4-10(8-13(12)15(17)20)16-9-2-5-11(18)6-3-9/h2-8,16,18H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM642541 (US20230414794, Comparative Compound DS3 | US202304...) Show SMILES CC(C)C[C@H](NC(=O)N[C@@H](CNC(=O)c1c[nH]nn1)C(O)=O)C(O)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM642540 (US20230414794, Comparative Compound DS2) Show SMILES CC(C)C[C@H](NC(=O)N[C@@H](CNC(=O)c1c[nH]cn1)C(O)=O)C(O)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM642539 (US20230414794, Comparative Compound DS1) Show SMILES CC(C)C[C@H](NC(=O)N[C@@H](CNC(=O)c1ncc[nH]1)C(O)=O)C(O)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50100134 (2-(4-Dimethylamino-phenyl)-3,6-dimethyl-benzothiaz...) Show SMILES CN(C)c1ccc(cc1)-c1sc2cc(C)ccc2[n+]1C Show InChI InChI=1S/C17H19N2S/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3/h5-11H,1-4H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50040929 (4,5-dianilinophthalimide | 5,6-bis(phenylamino)-1H...) Show SMILES O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc12 Show InChI InChI=1S/C20H15N3O2/c24-19-15-11-17(21-13-7-3-1-4-8-13)18(12-16(15)20(25)23-19)22-14-9-5-2-6-10-14/h1-12,21-22H,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50122787 (2-(4'-dimethylaminophenyl)-6-iodoimidazo[1,2-a]pyr...) Show SMILES CN(C)c1ccc(cc1)-c1cn2cc(I)ccc2n1 Show InChI InChI=1S/C15H14IN3/c1-18(2)13-6-3-11(4-7-13)14-10-19-9-12(16)5-8-15(19)17-14/h3-10H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50129793 (2-(4''-methylaminophenyl)-6-hydroxybenzothiazole |...) Show SMILES CNc1ccc(cc1)-c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM642541 (US20230414794, Comparative Compound DS3 | US202304...) Show SMILES CC(C)C[C@H](NC(=O)N[C@@H](CNC(=O)c1c[nH]nn1)C(O)=O)C(O)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50040923 (2-Methyl-5,6-bis-phenylamino-isoindole-1,3-dione |...) Show SMILES CN1C(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc2C1=O Show InChI InChI=1S/C21H17N3O2/c1-24-20(25)16-12-18(22-14-8-4-2-5-9-14)19(13-17(16)21(24)26)23-15-10-6-3-7-11-15/h2-13,22-23H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50079267 (Congo Red | Direct red 28 | Kongorot | Sodium diph...) Show SMILES Nc1c(cc(c2ccccc12)S([O-])(=O)=O)\N=N\c1ccc(cc1)-c1ccc(cc1)\N=N\c1cc(c2ccccc2c1N)S([O-])(=O)=O Show InChI InChI=1S/C32H24N6O6S2/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44)/p-2/b37-35+,38-36+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor [G667C] (Homo sapiens (Human))	BDBM515356 ((13E,14E,22R,24S)-12-amino-24,35- difluoro-4-oxa-7...) Show SMILES Nc1nn2ccc3nc2c1C(=O)NCCOc1ncc(F)cc1[C@H]1C[C@H](F)CN31 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TrkAG667C (Kinase domain) kinase was expressed in Sf9 cells by using pIEX-Bac-4, and purified by using affinity chromatography on AKTA Purifier (GE c...				Citation and Details BindingDB Entry DOI: 10.7270/Q22N55FK
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM515368 ((13E,14E,22R,24S)-12-amino- 24,35-difluoro-7-aza-1...) Show SMILES Nc1nn2ccc3nc2c1C(=O)NCCCc1ncc(F)cc1[C@H]1C[C@H](F)CN31 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description A testing platform for TrkAWT kinase activity was established based on Homogeneous Time-Resolved Fluorescence (HTRF) assay, and the activities of the...				Citation and Details BindingDB Entry DOI: 10.7270/Q22N55FK
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor [G667C] (Homo sapiens (Human))	BDBM515377 ((13E,14E,22R,24S)-12-amino- 24,35-difluoro-4-oxa-7...) Show SMILES Nc1nn2ccc3nc2c1C(=O)NCCOc1ccc(F)cc1[C@H]1C[C@H](F)CN31 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TrkAG667C (Kinase domain) kinase was expressed in Sf9 cells by using pIEX-Bac-4, and purified by using affinity chromatography on AKTA Purifier (GE c...				Citation and Details BindingDB Entry DOI: 10.7270/Q22N55FK
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor [G667C] (Homo sapiens (Human))	BDBM515357 ((13E,14E,22R,24S,5S)-12-amino-24,35-difluoro- 5-me...) Show SMILES C[C@H]1CNC(=O)c2c(N)nn3ccc(nc23)N2C[C@@H](F)C[C@@H]2c2cc(F)cnc2O1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TrkAG667C (Kinase domain) kinase was expressed in Sf9 cells by using pIEX-Bac-4, and purified by using affinity chromatography on AKTA Purifier (GE c...				Citation and Details BindingDB Entry DOI: 10.7270/Q22N55FK
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM515365 (US11098060, Example 23) Show SMILES Nc1nn2ccc3nc2c1C(=O)NCCCn1cc(F)cc([C@H]2C[C@H](F)CN32)c1=O |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description A testing platform for TrkAWT kinase activity was established based on Homogeneous Time-Resolved Fluorescence (HTRF) assay, and the activities of the...				Citation and Details BindingDB Entry DOI: 10.7270/Q22N55FK
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM515367 (US11098060, Example 26) Show SMILES C[C@@H]1CCc2ncc(F)cc2[C@H]2C[C@H](F)CN2c2ccn3nc(N)c(C(=O)N1)c3n2 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description A testing platform for TrkAWT kinase activity was established based on Homogeneous Time-Resolved Fluorescence (HTRF) assay, and the activities of the...				Citation and Details BindingDB Entry DOI: 10.7270/Q22N55FK
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM515370 ((13E,14E,22R,24S,6S)-12-amino- 24,35-difluoro-6-me...) Show SMILES C[C@H]1CCc2ncc(F)cc2[C@H]2C[C@H](F)CN2c2ccn3nc(N)c(C(=O)N1)c3n2 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description A testing platform for TrkAWT kinase activity was established based on Homogeneous Time-Resolved Fluorescence (HTRF) assay, and the activities of the...				Citation and Details BindingDB Entry DOI: 10.7270/Q22N55FK
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM515369 ((13E,14E,22R,6R)-12-amino-35- fluoro-6-methyl-7-az...) Show SMILES C[C@@H]1CCc2ncc(F)cc2[C@H]2CCCN2c2ccn3nc(N)c(C(=O)N1)c3n2 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description A testing platform for TrkAWT kinase activity was established based on Homogeneous Time-Resolved Fluorescence (HTRF) assay, and the activities of the...				Citation and Details BindingDB Entry DOI: 10.7270/Q22N55FK
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor [G595R] (Homo sapiens (Human))	BDBM515354 (US11098060, Example 12 | US11098060, Example 34) Show SMILES Nc1nn2ccc3nc2c1C(=O)NCCCOc1ncc(F)cc1[C@H]1C[C@H](F)CN31 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TrkAG595R (Kinase domain) kinase was expressed in Sf9 cells using pIEX-Bac-4, and purified by using affinity chromatography on AKTA Purifier (GE comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q22N55FK
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor [G667C] (Homo sapiens (Human))	BDBM515375 ((13E,14E,22R,24S)-12-amino-24,35,6,6- tetrafluoro-...) Show SMILES Nc1nn2ccc3nc2c1C(=O)NCC(F)(F)COc1ncc(F)cc1[C@H]1C[C@H](F)CN31 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TrkAG667C (Kinase domain) kinase was expressed in Sf9 cells by using pIEX-Bac-4, and purified by using affinity chromatography on AKTA Purifier (GE c...				Citation and Details BindingDB Entry DOI: 10.7270/Q22N55FK
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM515348 ((R,13E,14E)-12-amino-4-oxa-7-aza-1(5,3)- pyrazolo[...) Show SMILES Nc1nn2ccc3nc2c1C(=O)NCCOc1ncccc1[C@H]1CCCN31 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description A testing platform for TrkAWT kinase activity was established based on Homogeneous Time-Resolved Fluorescence (HTRF) assay, and the activities of the...				Citation and Details BindingDB Entry DOI: 10.7270/Q22N55FK
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor [G667C] (Homo sapiens (Human))	BDBM515361 ((13E,14E,22R,24S,6R)-12-amino-24, 35-difluoro-6-me...) Show SMILES C[C@@H]1COc2ncc(F)cc2[C@H]2C[C@H](F)CN2c2ccn3nc(N)c(C(=O)N1)c3n2 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TrkAG667C (Kinase domain) kinase was expressed in Sf9 cells by using pIEX-Bac-4, and purified by using affinity chromatography on AKTA Purifier (GE c...				Citation and Details BindingDB Entry DOI: 10.7270/Q22N55FK
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM515363 (US11098060, Example 21) Show SMILES Nc1nn2ccc3nc2c1C(=O)NCCCOc1ncc(F)cc1[C@H]1CCCN31 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description A testing platform for TrkAWT kinase activity was established based on Homogeneous Time-Resolved Fluorescence (HTRF) assay, and the activities of the...				Citation and Details BindingDB Entry DOI: 10.7270/Q22N55FK
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor [G667C] (Homo sapiens (Human))	BDBM515360 ((13E,14E,22R,24S)-12-amino-24,35-difluoro- 6,6-dim...) Show SMILES CC1(C)CNC(=O)c2c(N)nn3ccc(nc23)N2C[C@@H](F)CC2c2cc(F)cnc2OC1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TrkAG667C (Kinase domain) kinase was expressed in Sf9 cells by using pIEX-Bac-4, and purified by using affinity chromatography on AKTA Purifier (GE c...				Citation and Details BindingDB Entry DOI: 10.7270/Q22N55FK
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor [G595R] (Homo sapiens (Human))	BDBM515356 ((13E,14E,22R,24S)-12-amino-24,35- difluoro-4-oxa-7...) Show SMILES Nc1nn2ccc3nc2c1C(=O)NCCOc1ncc(F)cc1[C@H]1C[C@H](F)CN31 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TrkAG595R (Kinase domain) kinase was expressed in Sf9 cells using pIEX-Bac-4, and purified by using affinity chromatography on AKTA Purifier (GE comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q22N55FK
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM515350 ((R,13E,14E)-12-amino-35-fluro-4-oxa-7-aza- 1(5,3)-...) Show SMILES Nc1nn2ccc3nc2c1C(=O)NCCOc1ccc(F)cc1[C@H]1CCCN31 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description A testing platform for TrkAWT kinase activity was established based on Homogeneous Time-Resolved Fluorescence (HTRF) assay, and the activities of the...				Citation and Details BindingDB Entry DOI: 10.7270/Q22N55FK
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor [G667C] (Homo sapiens (Human))	BDBM515372 ((13E,14E,22R,5S)-12-amino-35- fluoro-5-methyl-4-ox...) Show SMILES C[C@H]1CNC(=O)c2c(N)nn3ccc(nc23)N2CCC[C@@H]2c2cc(F)ccc2O1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TrkAG667C (Kinase domain) kinase was expressed in Sf9 cells by using pIEX-Bac-4, and purified by using affinity chromatography on AKTA Purifier (GE c...				Citation and Details BindingDB Entry DOI: 10.7270/Q22N55FK
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM515351 ((13E,14E,22R,24R)-12-amino-35fluoro-24- hydroxy-4-...) Show SMILES Nc1nn2ccc3nc2c1C(=O)NCCOc1ncc(F)cc1[C@H]1C[C@@H](O)CN31 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description A testing platform for TrkAWT kinase activity was established based on Homogeneous Time-Resolved Fluorescence (HTRF) assay, and the activities of the...				Citation and Details BindingDB Entry DOI: 10.7270/Q22N55FK
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM515357 ((13E,14E,22R,24S,5S)-12-amino-24,35-difluoro- 5-me...) Show SMILES C[C@H]1CNC(=O)c2c(N)nn3ccc(nc23)N2C[C@@H](F)C[C@@H]2c2cc(F)cnc2O1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description A testing platform for TrkAWT kinase activity was established based on Homogeneous Time-Resolved Fluorescence (HTRF) assay, and the activities of the...				Citation and Details BindingDB Entry DOI: 10.7270/Q22N55FK
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM515349 ((R,13E,14E)-12-amino-4-oxa-8-aza-1(5,3)- pyrazolo[...) Show SMILES Nc1nn2ccc3nc2c1C(=O)NCCCOc1ncccc1[C@H]1CCCN31 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description A testing platform for TrkAWT kinase activity was established based on Homogeneous Time-Resolved Fluorescence (HTRF) assay, and the activities of the...				Citation and Details BindingDB Entry DOI: 10.7270/Q22N55FK
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50608288 (CHEMBL5278739) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-1=[#6](-[#8])-c2c(occ(-c3ccc(-[#8]-[#7+](-[#8-])=O)cc3)c2=O)-[#6]-2-[#6]=[#6]C([#6])([#6])[#8]-[#6]-1-2 |c:5,28| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM515358 ((13E,14E,22R,24S)-12-amino-24,35-difluoro- 4-oxa-9...) Show SMILES Nc1nn2ccc3nc2c1C(=O)NCCCCOc1ncc(F)cc1[C@H]1C[C@H](F)CN31 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description A testing platform for TrkAWT kinase activity was established based on Homogeneous Time-Resolved Fluorescence (HTRF) assay, and the activities of the...				Citation and Details BindingDB Entry DOI: 10.7270/Q22N55FK
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor [G595R] (Homo sapiens (Human))	BDBM515357 ((13E,14E,22R,24S,5S)-12-amino-24,35-difluoro- 5-me...) Show SMILES C[C@H]1CNC(=O)c2c(N)nn3ccc(nc23)N2C[C@@H](F)C[C@@H]2c2cc(F)cnc2O1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TrkAG595R (Kinase domain) kinase was expressed in Sf9 cells using pIEX-Bac-4, and purified by using affinity chromatography on AKTA Purifier (GE comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q22N55FK
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor [G667C] (Homo sapiens (Human))	BDBM515358 ((13E,14E,22R,24S)-12-amino-24,35-difluoro- 4-oxa-9...) Show SMILES Nc1nn2ccc3nc2c1C(=O)NCCCCOc1ncc(F)cc1[C@H]1C[C@H](F)CN31 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TrkAG667C (Kinase domain) kinase was expressed in Sf9 cells by using pIEX-Bac-4, and purified by using affinity chromatography on AKTA Purifier (GE c...				Citation and Details BindingDB Entry DOI: 10.7270/Q22N55FK
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM515364 (US11098060, Example 22) Show SMILES Nc1nn2ccc3nc2c1C(=O)NCCCn1cc(F)cc([C@H]2CCCN32)c1=O |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description A testing platform for TrkAWT kinase activity was established based on Homogeneous Time-Resolved Fluorescence (HTRF) assay, and the activities of the...				Citation and Details BindingDB Entry DOI: 10.7270/Q22N55FK
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM515346 ((13E,14E)-12-amino-35-fluoro-4-oxa-8-aza-1 (5,3)-p...) Show SMILES Nc1nn2ccc3nc2c1C(=O)NCCCOc1ncc(F)cc1C1CCCN31 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description A testing platform for TrkAWT kinase activity was established based on Homogeneous Time-Resolved Fluorescence (HTRF) assay, and the activities of the...				Citation and Details BindingDB Entry DOI: 10.7270/Q22N55FK
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM515359 ((13E,14E,22R,24S)-12-amino-24,35-difluoro- 8-methy...) Show SMILES CN1CCCOc2ncc(F)cc2[C@H]2C[C@H](F)CN2c2ccn3nc(N)c(C1=O)c3n2 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description A testing platform for TrkAWT kinase activity was established based on Homogeneous Time-Resolved Fluorescence (HTRF) assay, and the activities of the...				Citation and Details BindingDB Entry DOI: 10.7270/Q22N55FK
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM515355 ((13E,14E, 22R,24R)-12-amino-24,35- difluoro-4-oxa-...) Show SMILES Nc1nn2ccc3nc2c1C(=O)NCCCOc1ncc(F)cc1C1C[C@@H](F)CN31 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description A testing platform for TrkAWT kinase activity was established based on Homogeneous Time-Resolved Fluorescence (HTRF) assay, and the activities of the...				Citation and Details BindingDB Entry DOI: 10.7270/Q22N55FK
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM515356 ((13E,14E,22R,24S)-12-amino-24,35- difluoro-4-oxa-7...) Show SMILES Nc1nn2ccc3nc2c1C(=O)NCCOc1ncc(F)cc1[C@H]1C[C@H](F)CN31 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description A testing platform for TrkAWT kinase activity was established based on Homogeneous Time-Resolved Fluorescence (HTRF) assay, and the activities of the...				Citation and Details BindingDB Entry DOI: 10.7270/Q22N55FK
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor [G595R] (Homo sapiens (Human))	BDBM515367 (US11098060, Example 26) Show SMILES C[C@@H]1CCc2ncc(F)cc2[C@H]2C[C@H](F)CN2c2ccn3nc(N)c(C(=O)N1)c3n2 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TrkAG595R (Kinase domain) kinase was expressed in Sf9 cells using pIEX-Bac-4, and purified by using affinity chromatography on AKTA Purifier (GE comp...				Citation and Details BindingDB Entry DOI: 10.7270/Q22N55FK
					More data for this Ligand-Target Pair

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