Compile Data Set for Download or QSAR

Found 321 hits with Last Name = 'huo' and Initial = 's'   

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
Cathepsin D (Homo sapiens (Human))	BDBM50084626 (CHEMBL284440 | N-(2-Benzo[1,3]dioxol-5-yl-ethyl)-N...) Show SMILES O[C@@H](CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@H](Cc1ccccc1)NC(=O)COc1ccc(Cl)cc1Cl Show InChI InChI=1S/C38H35Cl2N3O8/c39-26-11-13-32(29(40)20-26)49-22-35(45)41-30(18-24-6-2-1-3-7-24)31(44)21-42(16-14-25-10-12-33-34(19-25)51-23-50-33)36(46)15-17-43-37(47)27-8-4-5-9-28(27)38(43)48/h1-13,19-20,30-31,44H,14-18,21-23H2,(H,41,45)/t30-,31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory activity of compound against human Cathepsin D				J Med Chem 45: 1412-9 (2002) BindingDB Entry DOI: 10.7270/Q25T3JSH
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50110934 (CHEMBL30483 | N-((1S,3S)-1-Benzyl-3-{[2-(2,4-dichl...) Show SMILES COc1cc(Br)c(cc1OC)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CCc1ccc(Cl)cc1Cl)C(=O)CCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C38H36BrCl2N3O7/c1-50-33-20-28(29(39)21-34(33)51-2)36(47)42-31(18-23-8-4-3-5-9-23)32(45)22-43(16-14-24-12-13-25(40)19-30(24)41)35(46)15-17-44-37(48)26-10-6-7-11-27(26)38(44)49/h3-13,19-21,31-32,45H,14-18,22H2,1-2H3,(H,42,47)/t31-,32-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory activity of compound against human Cathepsin D				J Med Chem 45: 1412-9 (2002) BindingDB Entry DOI: 10.7270/Q25T3JSH
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50110932 (CHEMBL283863 | N-(2-Benzo[1,3]dioxol-5-yl-ethyl)-3...) Show SMILES O[C@@H](CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@H](Cc1ccccc1)NC(=O)COc1c(Cl)cc(Cl)cc1Cl Show InChI InChI=1S/C38H34Cl3N3O8/c39-25-18-28(40)36(29(41)19-25)50-21-34(46)42-30(16-23-6-2-1-3-7-23)31(45)20-43(14-12-24-10-11-32-33(17-24)52-22-51-32)35(47)13-15-44-37(48)26-8-4-5-9-27(26)38(44)49/h1-11,17-19,30-31,45H,12-16,20-22H2,(H,42,46)/t30-,31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory activity of compound against human Cathepsin D				J Med Chem 45: 1412-9 (2002) BindingDB Entry DOI: 10.7270/Q25T3JSH
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50110931 (CHEMBL284441 | N-((1S,3S)-1-Benzyl-3-{[2-(2,4-dich...) Show SMILES O[C@@H](CN(CCc1ccc(Cl)cc1Cl)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@H](Cc1ccccc1)NC(=O)CCn1c2ccccc2oc1=O Show InChI InChI=1S/C39H36Cl2N4O7/c40-27-15-14-26(30(41)23-27)16-19-43(36(48)18-21-45-37(49)28-10-4-5-11-29(28)38(45)50)24-33(46)31(22-25-8-2-1-3-9-25)42-35(47)17-20-44-32-12-6-7-13-34(32)52-39(44)51/h1-15,23,31,33,46H,16-22,24H2,(H,42,47)/t31-,33-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	231	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory activity of compound against human Cathepsin D				J Med Chem 45: 1412-9 (2002) BindingDB Entry DOI: 10.7270/Q25T3JSH
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50110933 (CHEMBL30571 | N-(2-Benzo[1,3]dioxol-5-yl-ethyl)-3-...) Show SMILES O[C@H](CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@H](Cc1ccccc1)NC(=O)COc1cc(Cl)c(Cl)cc1Cl Show InChI InChI=1S/C38H34Cl3N3O8/c39-27-18-29(41)33(19-28(27)40)50-21-35(46)42-30(16-23-6-2-1-3-7-23)31(45)20-43(14-12-24-10-11-32-34(17-24)52-22-51-32)36(47)13-15-44-37(48)25-8-4-5-9-26(25)38(44)49/h1-11,17-19,30-31,45H,12-16,20-22H2,(H,42,46)/t30-,31+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory activity of compound against human Cathepsin D				J Med Chem 45: 1412-9 (2002) BindingDB Entry DOI: 10.7270/Q25T3JSH
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50110935 ((E)-N-((1S,3S)-1-Benzyl-2-hydroxy-3-{(2-pyridin-2-...) Show SMILES O[C@@H](CN(CCc1ccccn1)C(=O)COc1c(Cl)cc(Cl)cc1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1c(Cl)cccc1Cl Show InChI InChI=1S/C34H30Cl5N3O4/c35-23-18-28(38)34(29(39)19-23)46-21-33(45)42(16-14-24-9-4-5-15-40-24)20-31(43)30(17-22-7-2-1-3-8-22)41-32(44)13-12-25-26(36)10-6-11-27(25)37/h1-13,15,18-19,30-31,43H,14,16-17,20-21H2,(H,41,44)/b13-12+/t30-,31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory activity of compound against human Cathepsin D				J Med Chem 45: 1412-9 (2002) BindingDB Entry DOI: 10.7270/Q25T3JSH
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50590823 (CHEMBL5189971) Show SMILES C[C@@H](Nc1ccn2ncc(-c3cnn(c3)C3CCC3)c2n1)c1cc(F)ccc1F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114654 BindingDB Entry DOI: 10.7270/Q21Z48CB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50590818 (CHEMBL5170096) Show SMILES C[C@@H](Nc1ccn2ncc(-c3cnn(c3)C(F)F)c2n1)c1cc(F)ccc1F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114654 BindingDB Entry DOI: 10.7270/Q21Z48CB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50590817 (CHEMBL5170464) Show SMILES CCn1cc(cn1)-c1cnn2ccc(N[C@H](C)c3cc(F)ccc3F)nc12 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114654 BindingDB Entry DOI: 10.7270/Q21Z48CB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50590820 (CHEMBL5188045) Show SMILES C[C@@H](Nc1ccn2ncc(-c3cnn(CCO)c3)c2n1)c1cc(F)ccc1F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank 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
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114654 BindingDB Entry DOI: 10.7270/Q21Z48CB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50590822 (CHEMBL5173256) Show SMILES C[C@@H](Nc1ccn2ncc(-c3cnn(c3)C3CC3)c2n1)c1cc(F)ccc1F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank 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
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114654 BindingDB Entry DOI: 10.7270/Q21Z48CB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50590825 (CHEMBL5198983) Show SMILES C[C@@H](Nc1ccn2ncc(-c3cnn(c3)C3CCOC3)c2n1)c1cc(F)ccc1F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank 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
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114654 BindingDB Entry DOI: 10.7270/Q21Z48CB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50590816 (CHEMBL5175608) Show SMILES C[C@@H](Nc1ccn2ncc(-c3cn[nH]c3)c2n1)c1cc(F)ccc1F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank 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
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114654 BindingDB Entry DOI: 10.7270/Q21Z48CB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50593949 (CHEMBL5200318) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(-c3cn[nH]c3)c2n1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank 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
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114406 BindingDB Entry DOI: 10.7270/Q2HT2TC5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50590818 (CHEMBL5170096) Show SMILES C[C@@H](Nc1ccn2ncc(-c3cnn(c3)C(F)F)c2n1)c1cc(F)ccc1F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank 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
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114654 BindingDB Entry DOI: 10.7270/Q21Z48CB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50581525 (CHEMBL5088000) Show SMILES C[C@@H](Nc1ccn2ncc(-c3cnn(CCO)c3)c2n1)c1cc(F)ccc1OCC(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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
TBA					Assay Description Inhibition of TRKA GS95R mutant (unknown origin) preincubated for 30 mins followed by biotinylated TK-peptide substrate addition and measured after 4...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01539 BindingDB Entry DOI: 10.7270/Q2348Q87
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50581523 (CHEMBL5092943) Show SMILES Cn1cc(cn1)-c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1OCC(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank 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
TBA					Assay Description Inhibition of TRKA GS95R mutant (unknown origin) preincubated for 30 mins followed by biotinylated TK-peptide substrate addition and measured after 4...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01539 BindingDB Entry DOI: 10.7270/Q2348Q87
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50590817 (CHEMBL5170464) Show SMILES CCn1cc(cn1)-c1cnn2ccc(N[C@H](C)c3cc(F)ccc3F)nc12 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank 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
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114654 BindingDB Entry DOI: 10.7270/Q21Z48CB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50590826 (CHEMBL5195375) Show SMILES C[C@@H](Nc1ccn2ncc(-c3cnn(c3)C3CCOCC3)c2n1)c1cc(F)ccc1F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114654 BindingDB Entry DOI: 10.7270/Q21Z48CB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50590821 (CHEMBL5196651) Show SMILES C[C@@H](Nc1ccn2ncc(-c3cnn(c3)S(C)(=O)=O)c2n1)c1cc(F)ccc1F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114654 BindingDB Entry DOI: 10.7270/Q21Z48CB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50590819 (CHEMBL5169970) Show SMILES C[C@@H](Nc1ccn2ncc(-c3cnn(CCC#N)c3)c2n1)c1cc(F)ccc1F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114654 BindingDB Entry DOI: 10.7270/Q21Z48CB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50590821 (CHEMBL5196651) Show SMILES C[C@@H](Nc1ccn2ncc(-c3cnn(c3)S(C)(=O)=O)c2n1)c1cc(F)ccc1F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114654 BindingDB Entry DOI: 10.7270/Q21Z48CB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50590824 (CHEMBL5193919) Show SMILES C[C@@H](Nc1ccn2ncc(-c3cnn(c3)C3CCCC3)c2n1)c1cc(F)ccc1F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114654 BindingDB Entry DOI: 10.7270/Q21Z48CB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM136597 (US10005783, 14 | US10047097, 14 | US10774085, Exam...) Show SMILES O[C@H]1CCN(C1)C(=O)Nc1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r| Show InChI InChI=1S/C21H22F2N6O2/c22-13-3-4-16(23)15(10-13)18-2-1-7-28(18)19-6-9-29-20(26-19)17(11-24-29)25-21(31)27-8-5-14(30)12-27/h3-4,6,9-11,14,18,30H,1-2,5,7-8,12H2,(H,25,31)/t14-,18+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114654 BindingDB Entry DOI: 10.7270/Q21Z48CB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50590823 (CHEMBL5189971) Show SMILES C[C@@H](Nc1ccn2ncc(-c3cnn(c3)C3CCC3)c2n1)c1cc(F)ccc1F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114654 BindingDB Entry DOI: 10.7270/Q21Z48CB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50590827 (CHEMBL5170412) Show SMILES COCCn1cc(cn1)-c1cnn2ccc(N[C@H](C)c3cc(F)ccc3F)nc12 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114654 BindingDB Entry DOI: 10.7270/Q21Z48CB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50590826 (CHEMBL5195375) Show SMILES C[C@@H](Nc1ccn2ncc(-c3cnn(c3)C3CCOCC3)c2n1)c1cc(F)ccc1F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114654 BindingDB Entry DOI: 10.7270/Q21Z48CB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50590825 (CHEMBL5198983) Show SMILES C[C@@H](Nc1ccn2ncc(-c3cnn(c3)C3CCOC3)c2n1)c1cc(F)ccc1F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114654 BindingDB Entry DOI: 10.7270/Q21Z48CB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50590824 (CHEMBL5193919) Show SMILES C[C@@H](Nc1ccn2ncc(-c3cnn(c3)C3CCCC3)c2n1)c1cc(F)ccc1F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114654 BindingDB Entry DOI: 10.7270/Q21Z48CB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50581522 (CHEMBL5075273) Show SMILES Cn1cc(cn1)-c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TRKA GS95R mutant (unknown origin) preincubated for 30 mins followed by biotinylated TK-peptide substrate addition and measured after 4...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01539 BindingDB Entry DOI: 10.7270/Q2348Q87
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50581522 (CHEMBL5075273) Show SMILES Cn1cc(cn1)-c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wildtype TRKA (unknown origin) preincubated for 30 mins followed by biotinylated TK-peptide substrate addition and measured after 40 mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01539 BindingDB Entry DOI: 10.7270/Q2348Q87
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50581525 (CHEMBL5088000) Show SMILES C[C@@H](Nc1ccn2ncc(-c3cnn(CCO)c3)c2n1)c1cc(F)ccc1OCC(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TRKA G667C mutant (unknown origin) preincubated for 30 mins followed by biotinylated TK-peptide substrate addition and measured after 4...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01539 BindingDB Entry DOI: 10.7270/Q2348Q87
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50590826 (CHEMBL5195375) Show SMILES C[C@@H](Nc1ccn2ncc(-c3cnn(c3)C3CCOCC3)c2n1)c1cc(F)ccc1F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114654 BindingDB Entry DOI: 10.7270/Q21Z48CB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50590824 (CHEMBL5193919) Show SMILES C[C@@H](Nc1ccn2ncc(-c3cnn(c3)C3CCCC3)c2n1)c1cc(F)ccc1F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114654 BindingDB Entry DOI: 10.7270/Q21Z48CB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50590822 (CHEMBL5173256) Show SMILES C[C@@H](Nc1ccn2ncc(-c3cnn(c3)C3CC3)c2n1)c1cc(F)ccc1F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114654 BindingDB Entry DOI: 10.7270/Q21Z48CB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50590820 (CHEMBL5188045) Show SMILES C[C@@H](Nc1ccn2ncc(-c3cnn(CCO)c3)c2n1)c1cc(F)ccc1F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114654 BindingDB Entry DOI: 10.7270/Q21Z48CB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50590829 (CHEMBL5205989) Show SMILES C[C@@H](Nc1ccn2ncc(-c3cnn(c3)C3COC3)c2n1)c1cc(F)ccc1F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114654 BindingDB Entry DOI: 10.7270/Q21Z48CB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50581524 (CHEMBL5078405) Show SMILES C[C@@H](Nc1ccn2ncc(-c3cnn(C)c3)c2n1)c1cc(F)ccc1OCC(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wildtype TRKA (unknown origin) preincubated for 30 mins followed by biotinylated TK-peptide substrate addition and measured after 40 mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01539 BindingDB Entry DOI: 10.7270/Q2348Q87
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50590816 (CHEMBL5175608) Show SMILES C[C@@H](Nc1ccn2ncc(-c3cn[nH]c3)c2n1)c1cc(F)ccc1F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114654 BindingDB Entry DOI: 10.7270/Q21Z48CB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50590819 (CHEMBL5169970) Show SMILES C[C@@H](Nc1ccn2ncc(-c3cnn(CCC#N)c3)c2n1)c1cc(F)ccc1F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114654 BindingDB Entry DOI: 10.7270/Q21Z48CB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50590822 (CHEMBL5173256) Show SMILES C[C@@H](Nc1ccn2ncc(-c3cnn(c3)C3CC3)c2n1)c1cc(F)ccc1F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114654 BindingDB Entry DOI: 10.7270/Q21Z48CB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50581525 (CHEMBL5088000) Show SMILES C[C@@H](Nc1ccn2ncc(-c3cnn(CCO)c3)c2n1)c1cc(F)ccc1OCC(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wildtype TRKA (unknown origin) preincubated for 30 mins followed by biotinylated TK-peptide substrate addition and measured after 40 mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01539 BindingDB Entry DOI: 10.7270/Q2348Q87
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50590823 (CHEMBL5189971) Show SMILES C[C@@H](Nc1ccn2ncc(-c3cnn(c3)C3CCC3)c2n1)c1cc(F)ccc1F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114654 BindingDB Entry DOI: 10.7270/Q21Z48CB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50590819 (CHEMBL5169970) Show SMILES C[C@@H](Nc1ccn2ncc(-c3cnn(CCC#N)c3)c2n1)c1cc(F)ccc1F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114654 BindingDB Entry DOI: 10.7270/Q21Z48CB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50593955 (CHEMBL5195177) Show SMILES Fc1ccc(OCC(F)(F)F)c(c1)[C@H]1CCCN1c1ccn2ncc(-c3cn[nH]c3)c2n1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114406 BindingDB Entry DOI: 10.7270/Q2HT2TC5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50593954 (CHEMBL5203484) Show SMILES FC(F)COc1ccc(F)cc1[C@H]1CCCN1c1ccn2ncc(-c3cn[nH]c3)c2n1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114406 BindingDB Entry DOI: 10.7270/Q2HT2TC5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50593953 (CHEMBL5196625) Show SMILES FCCOc1ccc(F)cc1[C@H]1CCCN1c1ccn2ncc(-c3cn[nH]c3)c2n1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114406 BindingDB Entry DOI: 10.7270/Q2HT2TC5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50593950 (CHEMBL5171308) Show SMILES Cn1cc(-c2cnn3ccc(nc23)N2CCC[C@@H]2c2cc(F)ccc2F)c(n1)C(F)(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114406 BindingDB Entry DOI: 10.7270/Q2HT2TC5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50593955 (CHEMBL5195177) Show SMILES Fc1ccc(OCC(F)(F)F)c(c1)[C@H]1CCCN1c1ccn2ncc(-c3cn[nH]c3)c2n1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114406 BindingDB Entry DOI: 10.7270/Q2HT2TC5
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50581523 (CHEMBL5092943) Show SMILES Cn1cc(cn1)-c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1OCC(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TRKA G667C mutant (unknown origin) preincubated for 30 mins followed by biotinylated TK-peptide substrate addition and measured after 4...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01539 BindingDB Entry DOI: 10.7270/Q2348Q87
					More data for this Ligand-Target Pair

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