Compile Data Set for Download or QSAR

Found 1278 hits with Last Name = 'pham' and Initial = 'b'   

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
Caspase-3 (Homo sapiens (Human))	BDBM50072047 (4-(2-Acetylamino-3-carboxy-propionylamino)-4-[1-((...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C20H30N4O11/c1-8(2)16(19(33)23-12-7-15(30)35-20(12)34)24-17(31)10(4-5-13(26)27)22-18(32)11(6-14(28)29)21-9(3)25/h8,10-12,16,20,34H,4-7H2,1-3H3,(H,21,25)(H,22,32)(H,23,33)(H,24,31)(H,26,27)(H,28,29)/t10-,11-,12-,16-,20?/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	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human Caspase-3 using Ac-AspGluValAsp as substrate				Bioorg Med Chem Lett 8: 2757-62 (1999) BindingDB Entry DOI: 10.7270/Q2KP8198
					More data for this Ligand-Target Pair
Caspase-1 (Mus musculus)	BDBM50072047 (4-(2-Acetylamino-3-carboxy-propionylamino)-4-[1-((...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C20H30N4O11/c1-8(2)16(19(33)23-12-7-15(30)35-20(12)34)24-17(31)10(4-5-13(26)27)22-18(32)11(6-14(28)29)21-9(3)25/h8,10-12,16,20,34H,4-7H2,1-3H3,(H,21,25)(H,22,32)(H,23,33)(H,24,31)(H,26,27)(H,28,29)/t10-,11-,12-,16-,20?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against Caspase-1 using Ac-TyrValAlaAsp-amc as substrate				Bioorg Med Chem Lett 8: 2757-62 (1999) BindingDB Entry DOI: 10.7270/Q2KP8198
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344204 ((2R)-2-[3-{[6-(4-acetylpiperazin-1-yl)-2-ethoxypyr...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CCN([C@H](C)COC(C)=O)C(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C26H33N5O7/c1-5-36-25-20(6-7-22(28-25)30-12-10-29(11-13-30)17(3)32)27-24(34)19-15-38-21-8-9-31(26(35)23(19)21)16(2)14-37-18(4)33/h6-7,15-16H,5,8-14H2,1-4H3,(H,27,34)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344200 ((2R)-1-[3-{[6-(4-acetylpiperazin-1-yl)-2-ethoxypyr...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CCN(C[C@@H](C)OC(C)=O)C(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C26H33N5O7/c1-5-36-25-20(6-7-22(28-25)30-12-10-29(11-13-30)17(3)32)27-24(34)19-15-37-21-8-9-31(26(35)23(19)21)14-16(2)38-18(4)33/h6-7,15-16H,5,8-14H2,1-4H3,(H,27,34)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344248 (N-{6-[(3S)-4-acetyl-3-(methoxymethyl)piperazin-1-y...) Show SMILES COC[C@@H]1CN(CCN1C(C)=O)c1ccc(NC(=O)c2coc3CC(C)(C)NC(=O)c23)c(OCC(C)(C)O)n1 Show InChI InChI=1S/C27H37N5O7/c1-16(33)32-10-9-31(12-17(32)13-37-6)21-8-7-19(25(29-21)39-15-27(4,5)36)28-23(34)18-14-38-20-11-26(2,3)30-24(35)22(18)20/h7-8,14,17,36H,9-13,15H2,1-6H3,(H,28,34)(H,30,35)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344282 (N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CC(C)(C)N(CCOCCO)C(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C27H37N5O7/c1-5-38-25-20(6-7-22(29-25)31-10-8-30(9-11-31)18(2)34)28-24(35)19-17-39-21-16-27(3,4)32(26(36)23(19)21)12-14-37-15-13-33/h6-7,17,33H,5,8-16H2,1-4H3,(H,28,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50119218 (4-Benzyloxycarbonylamino-4-[1-(2-hydroxy-5-oxo-tet...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H31N3O9/c1-13(2)10-16(21(31)25-17-11-19(29)35-22(17)32)24-20(30)15(8-9-18(27)28)26-23(33)34-12-14-6-4-3-5-7-14/h3-7,13,15-17,22,32H,8-12H2,1-2H3,(H,24,30)(H,25,31)(H,26,33)(H,27,28)/t15-,16-,17-,22?/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	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration of compound required against Caspase-3 compared to acylated dipeptides				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344241 (N-{6-[(2S)-2-(hydroxymethyl)-4-(morpholin-4-ylcarb...) Show SMILES CC(C)Oc1nc(ccc1NC(=O)c1coc2CC(C)(C)NC(=O)c12)N1CCN(C[C@H]1CO)C(=O)N1CCOCC1 Show InChI InChI=1S/C28H38N6O7/c1-17(2)41-26-20(29-24(36)19-16-40-21-13-28(3,4)31-25(37)23(19)21)5-6-22(30-26)34-8-7-33(14-18(34)15-35)27(38)32-9-11-39-12-10-32/h5-6,16-18,35H,7-15H2,1-4H3,(H,29,36)(H,31,37)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50119218 (4-Benzyloxycarbonylamino-4-[1-(2-hydroxy-5-oxo-tet...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H31N3O9/c1-13(2)10-16(21(31)25-17-11-19(29)35-22(17)32)24-20(30)15(8-9-18(27)28)26-23(33)34-12-14-6-4-3-5-7-14/h3-7,13,15-17,22,32H,8-12H2,1-2H3,(H,24,30)(H,25,31)(H,26,33)(H,27,28)/t15-,16-,17-,22?/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	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration of compound required against Caspase-3 enzyme compared to acylated dipeptides				Bioorg Med Chem Lett 12: 2973-5 (2002) BindingDB Entry DOI: 10.7270/Q24M93VX
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344245 (N-{6-[(2R)-4-acetyl-2-(hydroxymethyl)piperazin-1-y...) Show SMILES CC(C)Oc1nc(ccc1NC(=O)c1coc2CC(C)(C)NC(=O)c12)N1CCN(C[C@@H]1CO)C(C)=O Show InChI InChI=1S/C25H33N5O6/c1-14(2)36-24-18(6-7-20(27-24)30-9-8-29(15(3)32)11-16(30)12-31)26-22(33)17-13-35-19-10-25(4,5)28-23(34)21(17)19/h6-7,13-14,16,31H,8-12H2,1-5H3,(H,26,33)(H,28,34)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344277 (N-[6-(4-acetylpiperazin-1-yl)-2-methoxypyridin-3-y...) Show SMILES COc1nc(ccc1NC(=O)c1coc2COC(C)(C)C(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C22H26N4O6/c1-13(27)25-7-9-26(10-8-25)17-6-5-15(21(24-17)30-4)23-20(29)14-11-31-16-12-32-22(2,3)19(28)18(14)16/h5-6,11H,7-10,12H2,1-4H3,(H,23,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344224 (N-{6-[4-(N′-cyano-N-methylcarbamimidoyl)pipe...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CC3(CCC3)NC(=O)c12)N1CCN(CC1)C(NC)=NC#N |w:34.39| Show InChI InChI=1S/C25H30N8O4/c1-3-36-23-17(5-6-19(30-23)32-9-11-33(12-10-32)24(27-2)28-15-26)29-21(34)16-14-37-18-13-25(7-4-8-25)31-22(35)20(16)18/h5-6,14H,3-4,7-13H2,1-2H3,(H,27,28)(H,29,34)(H,31,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344222 (N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CC3(CCC3)N(CCO)C(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C26H33N5O6/c1-3-36-24-19(5-6-21(28-24)30-11-9-29(10-12-30)17(2)33)27-23(34)18-16-37-20-15-26(7-4-8-26)31(13-14-32)25(35)22(18)20/h5-6,16,32H,3-4,7-15H2,1-2H3,(H,27,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344239 (N-{6-[(3S)-4-acetyl-3-(hydroxymethyl)piperazin-1-y...) Show SMILES CC(C)Oc1nc(ccc1NC(=O)c1coc2CC(C)(C)NC(=O)c12)N1CCN([C@H](CO)C1)C(C)=O Show InChI InChI=1S/C25H33N5O6/c1-14(2)36-24-18(6-7-20(27-24)29-8-9-30(15(3)32)16(11-29)12-31)26-22(33)17-13-35-19-10-25(4,5)28-23(34)21(17)19/h6-7,13-14,16,31H,8-12H2,1-5H3,(H,26,33)(H,28,34)/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344205 (N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CCN([C@H](C)CO)C(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C24H31N5O6/c1-4-34-23-18(5-6-20(26-23)28-11-9-27(10-12-28)16(3)31)25-22(32)17-14-35-19-7-8-29(15(2)13-30)24(33)21(17)19/h5-6,14-15,30H,4,7-13H2,1-3H3,(H,25,32)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50119245 (4-(2-Acetylamino-2-carboxy-acetylamino)-4-[1-(2-hy...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(C)=O)C(O)=O)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C19H28N4O11/c1-7(2)13(16(29)22-10-6-12(27)34-19(10)33)23-15(28)9(4-5-11(25)26)21-17(30)14(18(31)32)20-8(3)24/h7,9-10,13-14,19,33H,4-6H2,1-3H3,(H,20,24)(H,21,30)(H,22,29)(H,23,28)(H,25,26)(H,31,32)/t9-,10-,13-,14+,19?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration of compound required against Caspase-3 compared to acylated dipeptides				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344290 (N-[6-(1-acetylpiperidin-4-yl)-2-ethoxypyridin-3-yl...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CC(C)(C)NC(=O)c12)C1CCN(CC1)C(C)=O Show InChI InChI=1S/C24H30N4O5/c1-5-32-23-18(7-6-17(26-23)15-8-10-28(11-9-15)14(2)29)25-21(30)16-13-33-19-12-24(3,4)27-22(31)20(16)19/h6-7,13,15H,5,8-12H2,1-4H3,(H,25,30)(H,27,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
Caspase-6 (Homo sapiens (Human))	BDBM50119267 (4-[1-(2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamo...) Show SMILES CC(C)CC(NC(=O)[C@H](CCC(O)=O)Oc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C25H30N2O8/c1-14(2)12-17(23(31)27-18-13-22(30)35-25(18)33)26-24(32)20(10-11-21(28)29)34-19-9-5-7-15-6-3-4-8-16(15)19/h3-9,14,17-18,20,25,33H,10-13H2,1-2H3,(H,26,32)(H,27,31)(H,28,29)/t17?,18-,20-,25?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Caspase-6				Bioorg Med Chem Lett 12: 2973-5 (2002) BindingDB Entry DOI: 10.7270/Q24M93VX
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344279 (N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CC(C)(C)N(C)C(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C24H31N5O5/c1-6-33-22-17(7-8-19(26-22)29-11-9-28(10-12-29)15(2)30)25-21(31)16-14-34-18-13-24(3,4)27(5)23(32)20(16)18/h7-8,14H,6,9-13H2,1-5H3,(H,25,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50072047 (4-(2-Acetylamino-3-carboxy-propionylamino)-4-[1-((...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C20H30N4O11/c1-8(2)16(19(33)23-12-7-15(30)35-20(12)34)24-17(31)10(4-5-13(26)27)22-18(32)11(6-14(28)29)21-9(3)25/h8,10-12,16,20,34H,4-7H2,1-3H3,(H,21,25)(H,22,32)(H,23,33)(H,24,31)(H,26,27)(H,28,29)/t10-,11-,12-,16-,20?/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	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration of compound required against Caspase-3 enzyme compared to acylated dipeptides				Bioorg Med Chem Lett 12: 2973-5 (2002) BindingDB Entry DOI: 10.7270/Q24M93VX
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50119267 (4-[1-(2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamo...) Show SMILES CC(C)CC(NC(=O)[C@H](CCC(O)=O)Oc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C25H30N2O8/c1-14(2)12-17(23(31)27-18-13-22(30)35-25(18)33)26-24(32)20(10-11-21(28)29)34-19-9-5-7-15-6-3-4-8-16(15)19/h3-9,14,17-18,20,25,33H,10-13H2,1-2H3,(H,26,32)(H,27,31)(H,28,29)/t17?,18-,20-,25?/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	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Caspase-3				Bioorg Med Chem Lett 12: 2973-5 (2002) BindingDB Entry DOI: 10.7270/Q24M93VX
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344217 (N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CC3(CCC3)NC(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C24H29N5O5/c1-3-33-23-17(5-6-19(26-23)29-11-9-28(10-12-29)15(2)30)25-21(31)16-14-34-18-13-24(7-4-8-24)27-22(32)20(16)18/h5-6,14H,3-4,7-13H2,1-2H3,(H,25,31)(H,27,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344240 (N-{6-[(2S)-4-acetyl-2-(hydroxymethyl)piperazin-1-y...) Show SMILES CC(C)Oc1nc(ccc1NC(=O)c1coc2CC(C)(C)NC(=O)c12)N1CCN(C[C@H]1CO)C(C)=O Show InChI InChI=1S/C25H33N5O6/c1-14(2)36-24-18(6-7-20(27-24)30-9-8-29(15(3)32)11-16(30)12-31)26-22(33)17-13-35-19-10-25(4,5)28-23(34)21(17)19/h6-7,13-14,16,31H,8-12H2,1-5H3,(H,26,33)(H,28,34)/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344264 (N-[4-(4-acetylpiperazin-1-yl)-2-methoxyphenyl]-6,6...) Show SMILES COc1cc(ccc1NC(=O)c1coc2CC(C)(C)CC(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C24H29N3O5/c1-15(28)26-7-9-27(10-8-26)16-5-6-18(20(11-16)31-4)25-23(30)17-14-32-21-13-24(2,3)12-19(29)22(17)21/h5-6,11,14H,7-10,12-13H2,1-4H3,(H,25,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344201 (N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CCN(C[C@@H](C)O)C(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C24H31N5O6/c1-4-34-23-18(5-6-20(26-23)28-11-9-27(10-12-28)16(3)31)25-22(32)17-14-35-19-7-8-29(13-15(2)30)24(33)21(17)19/h5-6,14-15,30H,4,7-13H2,1-3H3,(H,25,32)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344281 (N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CC(C)(C)N(CCOC)C(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C26H35N5O6/c1-6-36-24-19(7-8-21(28-24)30-11-9-29(10-12-30)17(2)32)27-23(33)18-16-37-20-15-26(3,4)31(13-14-35-5)25(34)22(18)20/h7-8,16H,6,9-15H2,1-5H3,(H,27,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344195 (N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CCN(CCCO)C(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C24H31N5O6/c1-3-34-23-18(5-6-20(26-23)28-12-10-27(11-13-28)16(2)31)25-22(32)17-15-35-19-7-9-29(8-4-14-30)24(33)21(17)19/h5-6,15,30H,3-4,7-14H2,1-2H3,(H,25,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344196 (N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CCN(CCCCO)C(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C25H33N5O6/c1-3-35-24-19(6-7-21(27-24)29-13-11-28(12-14-29)17(2)32)26-23(33)18-16-36-20-8-10-30(9-4-5-15-31)25(34)22(18)20/h6-7,16,31H,3-5,8-15H2,1-2H3,(H,26,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344203 (N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CCN(C[C@H](C)O)C(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C24H31N5O6/c1-4-34-23-18(5-6-20(26-23)28-11-9-27(10-12-28)16(3)31)25-22(32)17-14-35-19-7-8-29(13-15(2)30)24(33)21(17)19/h5-6,14-15,30H,4,7-13H2,1-3H3,(H,25,32)/t15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344289 (N-{6-(4-acetylpiperazin-1-yl)-2-[(1-oxidothietan-3...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(NC(=O)c2coc3CC(C)(C)NC(=O)c23)c(OC2CS(=O)C2)n1 Show InChI InChI=1S/C24H29N5O6S/c1-14(30)28-6-8-29(9-7-28)19-5-4-17(23(26-19)35-15-12-36(33)13-15)25-21(31)16-11-34-18-10-24(2,3)27-22(32)20(16)18/h4-5,11,15H,6-10,12-13H2,1-3H3,(H,25,31)(H,27,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344285 (N-[6-(4-acetylpiperazin-1-yl)-2-(oxetan-3-yloxy)py...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(NC(=O)c2coc3CC(C)(C)NC(=O)c23)c(OC2COC2)n1 Show InChI InChI=1S/C24H29N5O6/c1-14(30)28-6-8-29(9-7-28)19-5-4-17(23(26-19)35-15-11-33-12-15)25-21(31)16-13-34-18-10-24(2,3)27-22(32)20(16)18/h4-5,13,15H,6-12H2,1-3H3,(H,25,31)(H,27,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50235828 (CHEMBL4090753) Show SMILES CC1(C)OCC(=O)Nc2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12 Show InChI InChI=1S/C20H21N5O3/c1-20(2)13-6-5-12(9-15(13)23-16(26)10-28-20)22-19-24-14-7-8-27-17(14)18(25-19)21-11-3-4-11/h5-9,11H,3-4,10H2,1-2H3,(H,23,26)(H2,21,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged Syk catalytic domain (356 to 635 residues) (unknown origin) using biotin-TYR1 as substrate after 60 mins by TR-FR...				Bioorg Med Chem Lett 26: 5562-5567 (2016) Article DOI: 10.1016/j.bmcl.2016.09.077 BindingDB Entry DOI: 10.7270/Q2WQ061V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50235829 (CHEMBL4098474) Show SMILES CC1(C)CCC(=O)Nc2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12 Show InChI InChI=1S/C21H23N5O2/c1-21(2)9-7-17(27)24-16-11-13(5-6-14(16)21)23-20-25-15-8-10-28-18(15)19(26-20)22-12-3-4-12/h5-6,8,10-12H,3-4,7,9H2,1-2H3,(H,24,27)(H2,22,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged Syk catalytic domain (356 to 635 residues) (unknown origin) using biotin-TYR1 as substrate after 60 mins by TR-FR...				Bioorg Med Chem Lett 26: 5562-5567 (2016) Article DOI: 10.1016/j.bmcl.2016.09.077 BindingDB Entry DOI: 10.7270/Q2WQ061V
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344115 (N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CCN(CCO)C(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C23H29N5O6/c1-3-33-22-17(4-5-19(25-22)27-10-8-26(9-11-27)15(2)30)24-21(31)16-14-34-18-6-7-28(12-13-29)23(32)20(16)18/h4-5,14,29H,3,6-13H2,1-2H3,(H,24,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344280 (N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CC(C)(C)N(CCO)C(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C25H33N5O6/c1-5-35-23-18(6-7-20(27-23)29-10-8-28(9-11-29)16(2)32)26-22(33)17-15-36-19-14-25(3,4)30(12-13-31)24(34)21(17)19/h6-7,15,31H,5,8-14H2,1-4H3,(H,26,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344284 (N-[6-(4-acetylpiperazin-1-yl)-2-(2,2,2-trifluoroet...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(NC(=O)c2coc3CC(C)(C)NC(=O)c23)c(OCC(F)(F)F)n1 Show InChI InChI=1S/C23H26F3N5O5/c1-13(32)30-6-8-31(9-7-30)17-5-4-15(21(28-17)36-12-23(24,25)26)27-19(33)14-11-35-16-10-22(2,3)29-20(34)18(14)16/h4-5,11H,6-10,12H2,1-3H3,(H,27,33)(H,29,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344223 (N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CC3(CC3)NC(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C23H27N5O5/c1-3-32-22-16(4-5-18(25-22)28-10-8-27(9-11-28)14(2)29)24-20(30)15-13-33-17-12-23(6-7-23)26-21(31)19(15)17/h4-5,13H,3,6-12H2,1-2H3,(H,24,30)(H,26,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344190 (N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CCN(CCOC)C(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C24H31N5O6/c1-4-34-23-18(5-6-20(26-23)28-11-9-27(10-12-28)16(2)30)25-22(31)17-15-35-19-7-8-29(13-14-33-3)24(32)21(17)19/h5-6,15H,4,7-14H2,1-3H3,(H,25,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344234 (N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CC(C)(C)NC(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C23H29N5O5/c1-5-32-22-16(6-7-18(25-22)28-10-8-27(9-11-28)14(2)29)24-20(30)15-13-33-17-12-23(3,4)26-21(31)19(15)17/h6-7,13H,5,8-12H2,1-4H3,(H,24,30)(H,26,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344274 (5,5-dimethyl-N-(2-methyl-2H-indazol-5-yl)-4-oxo-4,...) Show SMILES Cn1cc2cc(NC(=O)c3coc4CCC(C)(C)C(=O)c34)ccc2n1 Show InChI InChI=1S/C19H19N3O3/c1-19(2)7-6-15-16(17(19)23)13(10-25-15)18(24)20-12-4-5-14-11(8-12)9-22(3)21-14/h4-5,8-10H,6-7H2,1-3H3,(H,20,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50235831 (CHEMBL4093260) Show SMILES CCNc1nc(Nc2ccc3c(NC(=O)COC3(C)C)c2)nc2ccoc12 Show InChI InChI=1S/C19H21N5O3/c1-4-20-17-16-13(7-8-26-16)23-18(24-17)21-11-5-6-12-14(9-11)22-15(25)10-27-19(12,2)3/h5-9H,4,10H2,1-3H3,(H,22,25)(H2,20,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged Syk catalytic domain (356 to 635 residues) (unknown origin) using biotin-TYR1 as substrate after 60 mins by TR-FR...				Bioorg Med Chem Lett 26: 5562-5567 (2016) Article DOI: 10.1016/j.bmcl.2016.09.077 BindingDB Entry DOI: 10.7270/Q2WQ061V
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344210 (N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CCN(CC(C)(C)O)C(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C25H33N5O6/c1-5-35-23-18(6-7-20(27-23)29-12-10-28(11-13-29)16(2)31)26-22(32)17-14-36-19-8-9-30(15-25(3,4)34)24(33)21(17)19/h6-7,14,34H,5,8-13,15H2,1-4H3,(H,26,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344244 (N-{6-[(3R)-4-acetyl-3-(hydroxymethyl)piperazin-1-y...) Show SMILES CC(C)Oc1nc(ccc1NC(=O)c1coc2CC(C)(C)NC(=O)c12)N1CCN([C@@H](CO)C1)C(C)=O Show InChI InChI=1S/C25H33N5O6/c1-14(2)36-24-18(6-7-20(27-24)29-8-9-30(15(3)32)16(11-29)12-31)26-22(33)17-13-35-19-10-25(4,5)28-23(34)21(17)19/h6-7,13-14,16,31H,8-12H2,1-5H3,(H,26,33)(H,28,34)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344263 (N-[2-methoxy-4-(piperazin-1-yl)phenyl]-6,6-dimethy...) Show SMILES COc1cc(ccc1NC(=O)c1coc2CC(C)(C)CC(=O)c12)N1CCNCC1 Show InChI InChI=1S/C22H27N3O4/c1-22(2)11-17(26)20-15(13-29-19(20)12-22)21(27)24-16-5-4-14(10-18(16)28-3)25-8-6-23-7-9-25/h4-5,10,13,23H,6-9,11-12H2,1-3H3,(H,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50119218 (4-Benzyloxycarbonylamino-4-[1-(2-hydroxy-5-oxo-tet...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H31N3O9/c1-13(2)10-16(21(31)25-17-11-19(29)35-22(17)32)24-20(30)15(8-9-18(27)28)26-23(33)34-12-14-6-4-3-5-7-14/h3-7,13,15-17,22,32H,8-12H2,1-2H3,(H,24,30)(H,25,31)(H,26,33)(H,27,28)/t15-,16-,17-,22?/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	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration of compound required against Caspase-1 compared to acylated dipeptides				Bioorg Med Chem Lett 12: 2969-71 (2002) BindingDB Entry DOI: 10.7270/Q289157S
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50119218 (4-Benzyloxycarbonylamino-4-[1-(2-hydroxy-5-oxo-tet...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@H]1CC(=O)OC1O Show InChI InChI=1S/C23H31N3O9/c1-13(2)10-16(21(31)25-17-11-19(29)35-22(17)32)24-20(30)15(8-9-18(27)28)26-23(33)34-12-14-6-4-3-5-7-14/h3-7,13,15-17,22,32H,8-12H2,1-2H3,(H,24,30)(H,25,31)(H,26,33)(H,27,28)/t15-,16-,17-,22?/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	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory concentration of compound required against Caspase-1 enzyme compared to acylated dipeptides				Bioorg Med Chem Lett 12: 2973-5 (2002) BindingDB Entry DOI: 10.7270/Q24M93VX
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344291 (N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CCC(C(=O)c12)c1cc(F)ccc1F)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C28H28F2N4O5/c1-3-38-28-22(7-9-24(32-28)34-12-10-33(11-13-34)16(2)35)31-27(37)20-15-39-23-8-5-18(26(36)25(20)23)19-14-17(29)4-6-21(19)30/h4,6-7,9,14-15,18H,3,5,8,10-13H2,1-2H3,(H,31,37)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344202 ((2S)-1-[3-{[6-(4-acetylpiperazin-1-yl)-2-ethoxypyr...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CCN(C[C@H](C)OC(C)=O)C(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C26H33N5O7/c1-5-36-25-20(6-7-22(28-25)30-12-10-29(11-13-30)17(3)32)27-24(34)19-15-37-21-8-9-31(26(35)23(19)21)14-16(2)38-18(4)33/h6-7,15-16H,5,8-14H2,1-4H3,(H,27,34)/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344225 (N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CC(C)(C)N(CC(O)CO)C(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C26H35N5O7/c1-5-37-24-19(6-7-21(28-24)30-10-8-29(9-11-30)16(2)33)27-23(35)18-15-38-20-12-26(3,4)31(13-17(34)14-32)25(36)22(18)20/h6-7,15,17,32,34H,5,8-14H2,1-4H3,(H,27,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344213 (N-[2-(2-hydroxy-2-methylpropoxy)-6-(morpholin-4-yl...) Show SMILES CC(C)(O)COc1nc(ccc1NC(=O)c1coc2CCNC(=O)c12)N1CCOCC1 Show InChI InChI=1S/C21H26N4O6/c1-21(2,28)12-31-20-14(3-4-16(24-20)25-7-9-29-10-8-25)23-18(26)13-11-30-15-5-6-22-19(27)17(13)15/h3-4,11,28H,5-10,12H2,1-2H3,(H,22,27)(H,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair

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