Compile Data Set for Download or QSAR

Found 111 hits with Last Name = 'gambari' and Initial = 'r'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Non-lysosomal glucosylceramidase (Homo sapiens (Human))	BDBM50335390 (CHEMBL1651630 | N-Hexoxypentyl-1-deoxynojirimycin) Show SMILES CCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C17H35NO5/c1-2-3-4-7-10-23-11-8-5-6-9-18-12-15(20)17(22)16(21)14(18)13-19/h14-17,19-22H,2-13H2,1H3/t14-,15+,16-,17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
University of Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...				Eur J Med Chem 175: 63-71 (2019) Article DOI: 10.1016/j.ejmech.2019.04.061 BindingDB Entry DOI: 10.7270/Q2TB1BBH
					More data for this Ligand-Target Pair
Non-lysosomal glucosylceramidase (Homo sapiens (Human))	BDBM50524479 (CHEMBL4459011) Show SMILES CCCCCCOCCCCCN1CC(O)C(O)C(O)C1CO Show InChI InChI=1S/C17H35NO5/c1-2-3-4-7-10-23-11-8-5-6-9-18-12-15(20)17(22)16(21)14(18)13-19/h14-17,19-22H,2-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...				Eur J Med Chem 175: 63-71 (2019) Article DOI: 10.1016/j.ejmech.2019.04.061 BindingDB Entry DOI: 10.7270/Q2TB1BBH
					More data for this Ligand-Target Pair
Non-lysosomal glucosylceramidase (Homo sapiens (Human))	BDBM50299749 ((2R,3R,4R,5S)-1-[5-(Adamantan-1-ylmethoxy)-pentyl]...) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,TLB:21:22:19.20.25:26,THB:21:20:26:27.22.23,23:22:19:25.24.26,23:24:19:27.21.22| Show InChI InChI=1S/C22H39NO5/c24-13-18-20(26)21(27)19(25)12-23(18)4-2-1-3-5-28-14-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-21,24-27H,1-14H2/t15?,16?,17?,18-,19+,20-,21-,22?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...				Eur J Med Chem 175: 63-71 (2019) Article DOI: 10.1016/j.ejmech.2019.04.061 BindingDB Entry DOI: 10.7270/Q2TB1BBH
					More data for this Ligand-Target Pair
Non-lysosomal glucosylceramidase (Homo sapiens (Human))	BDBM18358 ((2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-...) Show SMILES CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...				Eur J Med Chem 175: 63-71 (2019) Article DOI: 10.1016/j.ejmech.2019.04.061 BindingDB Entry DOI: 10.7270/Q2TB1BBH
					More data for this Ligand-Target Pair
Non-lysosomal glucosylceramidase (Homo sapiens (Human))	BDBM50524480 (CHEMBL4559665) Show SMILES OCC1C(O)C(O)C(O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21:25.23.24,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24| Show InChI InChI=1S/C22H39NO5/c24-13-18-20(26)21(27)19(25)12-23(18)4-2-1-3-5-28-14-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-21,24-27H,1-14H2	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...				Eur J Med Chem 175: 63-71 (2019) Article DOI: 10.1016/j.ejmech.2019.04.061 BindingDB Entry DOI: 10.7270/Q2TB1BBH
					More data for this Ligand-Target Pair
Non-lysosomal glucosylceramidase (Homo sapiens (Human))	BDBM18355 ((2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-...) Show SMILES CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...				Eur J Med Chem 175: 63-71 (2019) Article DOI: 10.1016/j.ejmech.2019.04.061 BindingDB Entry DOI: 10.7270/Q2TB1BBH
					More data for this Ligand-Target Pair
GTPase HRas (Homo sapiens (Human))	BDBM50089962 (5-{4-[Bis-(2-chloro-ethyl)-amino]-benzoylamino}-be...) Show SMILES Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5cc(NC(=O)c6ccc(cc6)N(CCCl)CCCl)ccc5o4)cn3C)cn2C)cc1C(=O)NCCC(N)=N Show InChI InChI=1S/C41H43Cl2N11O6/c1-51-21-27(18-31(51)38(56)46-13-10-36(44)45)48-39(57)32-19-28(22-52(32)2)49-40(58)33-20-29(23-53(33)3)50-41(59)35-17-25-16-26(6-9-34(25)60-35)47-37(55)24-4-7-30(8-5-24)54(14-11-42)15-12-43/h4-9,16-23H,10-15H2,1-3H3,(H3,44,45)(H,46,56)(H,47,55)(H,48,57)(H,49,58)(H,50,59)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Tested for 50% inhibition of generation of Human Ha-ras polymerase chain reaction(PCR) products				J Med Chem 43: 2675-84 (2000) BindingDB Entry DOI: 10.7270/Q2959J79
					More data for this Ligand-Target Pair
GTPase HRas (Homo sapiens (Human))	BDBM50089960 (5-{4-[Bis-(2-chloro-ethyl)-amino]-benzoylamino}-1H...) Show SMILES Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nc5ccc(NC(=O)c6ccc(cc6)N(CCCl)CCCl)cc5[nH]4)cn3C)cn2C)cc1C(=O)NCCC(N)=N Show InChI InChI=1S/C40H43Cl2N13O5/c1-52-20-25(17-31(52)37(57)45-13-10-34(43)44)47-38(58)32-18-26(21-53(32)2)48-39(59)33-19-27(22-54(33)3)49-40(60)35-50-29-9-6-24(16-30(29)51-35)46-36(56)23-4-7-28(8-5-23)55(14-11-41)15-12-42/h4-9,16-22H,10-15H2,1-3H3,(H3,43,44)(H,45,57)(H,46,56)(H,47,58)(H,48,59)(H,49,60)(H,50,51)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Tested for 50% inhibition of generation of Human Ha-ras polymerase chain reaction(PCR) products				J Med Chem 43: 2675-84 (2000) BindingDB Entry DOI: 10.7270/Q2959J79
					More data for this Ligand-Target Pair
GTPase HRas (Homo sapiens (Human))	BDBM50089961 (5-{4-[Bis-(2-chloro-ethyl)-amino]-benzoylamino}-1-...) Show SMILES Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5cc(NC(=O)c6ccc(cc6)N(CCCl)CCCl)ccc5n4C)cn3C)cn2C)cc1C(=O)NCCC(N)=N Show InChI InChI=1S/C42H46Cl2N12O5/c1-52-22-28(19-33(52)39(58)47-14-11-37(45)46)49-40(59)34-20-29(23-53(34)2)50-41(60)35-21-30(24-54(35)3)51-42(61)36-18-26-17-27(7-10-32(26)55(36)4)48-38(57)25-5-8-31(9-6-25)56(15-12-43)16-13-44/h5-10,17-24H,11-16H2,1-4H3,(H3,45,46)(H,47,58)(H,48,57)(H,49,59)(H,50,60)(H,51,61)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Tested for 50% inhibition of generation of Human Ha-ras polymerase chain reaction(PCR) products				J Med Chem 43: 2675-84 (2000) BindingDB Entry DOI: 10.7270/Q2959J79
					More data for this Ligand-Target Pair
GTPase HRas (Homo sapiens (Human))	BDBM50089967 (5-{4-[Bis-(2-chloro-ethyl)-amino]-benzoylamino}-1H...) Show SMILES Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5cc(NC(=O)c6ccc(cc6)N(CCCl)CCCl)ccc5[nH]4)cn3C)cn2C)cc1C(=O)NCCC(N)=N Show InChI InChI=1S/C41H44Cl2N12O5/c1-52-22-28(18-33(52)39(58)46-13-10-36(44)45)49-41(60)35-20-29(23-54(35)3)50-40(59)34-19-27(21-53(34)2)48-38(57)32-17-25-16-26(6-9-31(25)51-32)47-37(56)24-4-7-30(8-5-24)55(14-11-42)15-12-43/h4-9,16-23,51H,10-15H2,1-3H3,(H3,44,45)(H,46,58)(H,47,56)(H,48,57)(H,49,60)(H,50,59)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Tested for 50% inhibition of generation of Human Ha-ras polymerase chain reaction(PCR) products				J Med Chem 43: 2675-84 (2000) BindingDB Entry DOI: 10.7270/Q2959J79
					More data for this Ligand-Target Pair
GTPase HRas (Homo sapiens (Human))	BDBM50089969 (5-[Bis-(2-chloro-ethyl)-amino]-benzofuran-2-carbox...) Show SMILES Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5cc(ccc5o4)N(CCCl)CCCl)cn3C)cn2C)cc1C(=O)NCCC(N)=N Show InChI InChI=1S/C34H38Cl2N10O5/c1-43-17-21(14-25(43)31(47)39-9-6-30(37)38)40-32(48)26-15-22(18-44(26)2)41-33(49)27-16-23(19-45(27)3)42-34(50)29-13-20-12-24(4-5-28(20)51-29)46(10-7-35)11-8-36/h4-5,12-19H,6-11H2,1-3H3,(H3,37,38)(H,39,47)(H,40,48)(H,41,49)(H,42,50)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Tested for 50% inhibition of generation of Human Ha-ras polymerase chain reaction(PCR) products				J Med Chem 43: 2675-84 (2000) BindingDB Entry DOI: 10.7270/Q2959J79
					More data for this Ligand-Target Pair
GTPase HRas (Homo sapiens (Human))	BDBM50089978 (5-[Bis-(2-chloro-ethyl)-amino]-1H-indole-2-carboxy...) Show SMILES Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5cc(ccc5[nH]4)N(CCCl)CCCl)cn3C)cn2C)cc1C(=O)NCCC(N)=N Show InChI InChI=1S/C34H39Cl2N11O4/c1-44-18-22(14-27(44)32(49)39-9-6-30(37)38)41-34(51)29-16-23(19-46(29)3)42-33(50)28-15-21(17-45(28)2)40-31(48)26-13-20-12-24(4-5-25(20)43-26)47(10-7-35)11-8-36/h4-5,12-19,43H,6-11H2,1-3H3,(H3,37,38)(H,39,49)(H,40,48)(H,41,51)(H,42,50)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Tested for 50% inhibition of generation of Human Ha-ras polymerase chain reaction(PCR) products				J Med Chem 43: 2675-84 (2000) BindingDB Entry DOI: 10.7270/Q2959J79
					More data for this Ligand-Target Pair
GTPase HRas (Homo sapiens (Human))	BDBM50089971 (5-[Bis-(2-chloro-ethyl)-amino]-1-methyl-1H-indole-...) Show SMILES Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5cc(ccc5n4C)N(CCCl)CCCl)cn3C)cn2C)cc1C(=O)NCCC(N)=N Show InChI InChI=1S/C35H41Cl2N11O4/c1-44-18-22(15-27(44)32(49)40-10-7-31(38)39)41-33(50)28-16-23(19-45(28)2)42-34(51)29-17-24(20-46(29)3)43-35(52)30-14-21-13-25(5-6-26(21)47(30)4)48(11-8-36)12-9-37/h5-6,13-20H,7-12H2,1-4H3,(H3,38,39)(H,40,49)(H,41,50)(H,42,51)(H,43,52)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Tested for 50% inhibition of generation of Human Ha-ras polymerase chain reaction(PCR) products				J Med Chem 43: 2675-84 (2000) BindingDB Entry DOI: 10.7270/Q2959J79
					More data for this Ligand-Target Pair
Non-lysosomal glucosylceramidase (Homo sapiens (Human))	BDBM50335387 (CHEMBL1651633 | N-Nonoxypentyl-1-deoxynojirimycin) Show SMILES CCCCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C20H41NO5/c1-2-3-4-5-6-7-10-13-26-14-11-8-9-12-21-15-18(23)20(25)19(24)17(21)16-22/h17-20,22-25H,2-16H2,1H3/t17-,18+,19-,20-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
University of Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...				Eur J Med Chem 175: 63-71 (2019) Article DOI: 10.1016/j.ejmech.2019.04.061 BindingDB Entry DOI: 10.7270/Q2TB1BBH
					More data for this Ligand-Target Pair
Non-lysosomal glucosylceramidase (Homo sapiens (Human))	BDBM50156357 (2-Hydroxymethyl-1-nonyl-piperidine-3,4,5-triol | C...) Show SMILES CCCCCCCCCN1CC(O)C(O)C(O)C1CO Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
University of Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...				Eur J Med Chem 175: 63-71 (2019) Article DOI: 10.1016/j.ejmech.2019.04.061 BindingDB Entry DOI: 10.7270/Q2TB1BBH
					More data for this Ligand-Target Pair
Non-lysosomal glucosylceramidase (Homo sapiens (Human))	BDBM50524486 (CHEMBL4577406) Show SMILES CCCCCCCCCOCCCCCN1CC(O)C(O)C(O)C1CO Show InChI InChI=1S/C20H41NO5/c1-2-3-4-5-6-7-10-13-26-14-11-8-9-12-21-15-18(23)20(25)19(24)17(21)16-22/h17-20,22-25H,2-16H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
University of Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...				Eur J Med Chem 175: 63-71 (2019) Article DOI: 10.1016/j.ejmech.2019.04.061 BindingDB Entry DOI: 10.7270/Q2TB1BBH
					More data for this Ligand-Target Pair
Non-lysosomal glucosylceramidase (Homo sapiens (Human))	BDBM50524485 (CHEMBL4435506) Show SMILES OC[C@H]1[C@H](O)[C@@H](O)[C@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,TLB:17:18:21:25.23.24,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24| Show InChI InChI=1S/C22H39NO5/c24-13-18-20(26)21(27)19(25)12-23(18)4-2-1-3-5-28-14-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-21,24-27H,1-14H2/t15?,16?,17?,18-,19+,20-,21-,22?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
University of Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...				Eur J Med Chem 175: 63-71 (2019) Article DOI: 10.1016/j.ejmech.2019.04.061 BindingDB Entry DOI: 10.7270/Q2TB1BBH
					More data for this Ligand-Target Pair
Non-lysosomal glucosylceramidase (Homo sapiens (Human))	BDBM50524481 (CHEMBL4459494) Show SMILES CCCCCCCCCOCCCCCN1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1CO |r| Show InChI InChI=1S/C20H41NO5/c1-2-3-4-5-6-7-10-13-26-14-11-8-9-12-21-15-18(23)20(25)19(24)17(21)16-22/h17-20,22-25H,2-16H2,1H3/t17-,18+,19-,20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	137	n/a	n/a	n/a	n/a	n/a	n/a
University of Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...				Eur J Med Chem 175: 63-71 (2019) Article DOI: 10.1016/j.ejmech.2019.04.061 BindingDB Entry DOI: 10.7270/Q2TB1BBH
					More data for this Ligand-Target Pair
GTPase HRas (Homo sapiens (Human))	BDBM50055659 (2N-(3,3-aminoiminopropyl)-4-[4-(4-formamido-1-meth...) Show SMILES Cn1cc(NC=O)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCC(N)=N)n(C)c2)n(C)c1 Show InChI InChI=1S/C22H27N9O4/c1-29-9-13(26-12-32)6-17(29)21(34)28-15-8-18(31(3)11-15)22(35)27-14-7-16(30(2)10-14)20(33)25-5-4-19(23)24/h6-12H,4-5H2,1-3H3,(H3,23,24)(H,25,33)(H,26,32)(H,27,35)(H,28,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Tested for 50% inhibition of generation of Human Ha-ras polymerase chain reaction(PCR) products				J Med Chem 43: 2675-84 (2000) BindingDB Entry DOI: 10.7270/Q2959J79
					More data for this Ligand-Target Pair
Non-lysosomal glucosylceramidase (Homo sapiens (Human))	BDBM50524484 (CHEMBL187262) Show SMILES CCCCN1CC(O)C(O)C(O)C1CO Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
University of Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...				Eur J Med Chem 175: 63-71 (2019) Article DOI: 10.1016/j.ejmech.2019.04.061 BindingDB Entry DOI: 10.7270/Q2TB1BBH
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50475850 (CHEMBL378632) Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1cc(sc1N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H18ClNO4S/c1-24-15-8-12(9-16(25-2)19(15)26-3)18(23)14-10-17(27-20(14)22)11-4-6-13(21)7-5-11/h4-10H,22H2,1-3H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization in bovine brain by tubulin assembly assay				J Med Chem 49: 3906-15 (2006) Article DOI: 10.1021/jm060355e BindingDB Entry DOI: 10.7270/Q20004VG
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50475848 (CHEMBL380060) Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1cc(sc1N)-c1ccc(C)cc1 Show InChI InChI=1S/C21H21NO4S/c1-12-5-7-13(8-6-12)18-11-15(21(22)27-18)19(23)14-9-16(24-2)20(26-4)17(10-14)25-3/h5-11H,22H2,1-4H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization in bovine brain by tubulin assembly assay				J Med Chem 49: 3906-15 (2006) Article DOI: 10.1021/jm060355e BindingDB Entry DOI: 10.7270/Q20004VG
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50475851 (CHEMBL212515) Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1cc(sc1N)-c1ccc(F)cc1 Show InChI InChI=1S/C20H18FNO4S/c1-24-15-8-12(9-16(25-2)19(15)26-3)18(23)14-10-17(27-20(14)22)11-4-6-13(21)7-5-11/h4-10H,22H2,1-3H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization in bovine brain by tubulin assembly assay				J Med Chem 49: 3906-15 (2006) Article DOI: 10.1021/jm060355e BindingDB Entry DOI: 10.7270/Q20004VG
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50475847 (CHEMBL210239) Show SMILES COc1ccc(cc1)-c1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)c(N)s1 Show InChI InChI=1S/C21H21NO5S/c1-24-14-7-5-12(6-8-14)18-11-15(21(22)28-18)19(23)13-9-16(25-2)20(27-4)17(10-13)26-3/h5-11H,22H2,1-4H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization in bovine brain by tubulin assembly assay				J Med Chem 49: 3906-15 (2006) Article DOI: 10.1021/jm060355e BindingDB Entry DOI: 10.7270/Q20004VG
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50005480 ((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...) Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization in bovine brain by tubulin assembly assay				J Med Chem 49: 3906-15 (2006) Article DOI: 10.1021/jm060355e BindingDB Entry DOI: 10.7270/Q20004VG
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50035218 (CHEMBL61 | PODOFILOX | Podophyllinic acid lactone ...) Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization in bovine brain by tubulin assembly assay				J Med Chem 49: 3906-15 (2006) Article DOI: 10.1021/jm060355e BindingDB Entry DOI: 10.7270/Q20004VG
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50475852 (CHEMBL209011) Show SMILES COc1cccc(c1)-c1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)c(N)s1 Show InChI InChI=1S/C21H21NO5S/c1-24-14-7-5-6-12(8-14)18-11-15(21(22)28-18)19(23)13-9-16(25-2)20(27-4)17(10-13)26-3/h5-11H,22H2,1-4H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization in bovine brain by tubulin assembly assay				J Med Chem 49: 3906-15 (2006) Article DOI: 10.1021/jm060355e BindingDB Entry DOI: 10.7270/Q20004VG
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50475853 (CHEMBL379867) Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1cc(sc1N)-c1ccccc1 Show InChI InChI=1S/C20H19NO4S/c1-23-15-9-13(10-16(24-2)19(15)25-3)18(22)14-11-17(26-20(14)21)12-7-5-4-6-8-12/h4-11H,21H2,1-3H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization in bovine brain by tubulin assembly assay				J Med Chem 49: 3906-15 (2006) Article DOI: 10.1021/jm060355e BindingDB Entry DOI: 10.7270/Q20004VG
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50475849 (CHEMBL212734) Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1c(N)sc(c1C)-c1ccccc1 Show InChI InChI=1S/C21H21NO4S/c1-12-17(21(22)27-20(12)13-8-6-5-7-9-13)18(23)14-10-15(24-2)19(26-4)16(11-14)25-3/h5-11H,22H2,1-4H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization in bovine brain by tubulin assembly assay				J Med Chem 49: 3906-15 (2006) Article DOI: 10.1021/jm060355e BindingDB Entry DOI: 10.7270/Q20004VG
					More data for this Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit (Homo sapiens (Human))	BDBM50331545 (2H-furo[2,3-h]chromen-2-one | CHEMBL53569 | Furo[2...) Show SMILES O=c1ccc2ccc3occc3c2o1 Show InChI InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioPharmaNet Curated by ChEMBL					Assay Description Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA				Bioorg Med Chem 18: 8341-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.063 BindingDB Entry DOI: 10.7270/Q27W6CFD
					More data for this Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit (Homo sapiens (Human))	BDBM50331544 (7H-furo[3,2-g]chromen-7-one | CHEMBL164660 | Furo[...) Show SMILES O=c1ccc2cc3ccoc3cc2o1 Show InChI InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioPharmaNet Curated by ChEMBL					Assay Description Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA				Bioorg Med Chem 18: 8341-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.063 BindingDB Entry DOI: 10.7270/Q27W6CFD
					More data for this Ligand-Target Pair
Non-lysosomal glucosylceramidase (Homo sapiens (Human))	BDBM50524482 (CHEMBL4460711) Show SMILES CCCCCCCCCN1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1CO |r| Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...				Eur J Med Chem 175: 63-71 (2019) Article DOI: 10.1016/j.ejmech.2019.04.061 BindingDB Entry DOI: 10.7270/Q2TB1BBH
					More data for this Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit (Homo sapiens (Human))	BDBM50331548 (4-((7-hydroxy-4-oxo-1,2,3,4-tetrahydrocyclopenta[c...) Show SMILES OC(=O)c1ccc(COc2cc(O)cc3oc(=O)c4CCCc4c23)cc1 Show InChI InChI=1S/C20H16O6/c21-13-8-16(25-10-11-4-6-12(7-5-11)19(22)23)18-14-2-1-3-15(14)20(24)26-17(18)9-13/h4-9,21H,1-3,10H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioPharmaNet Curated by ChEMBL					Assay Description Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA				Bioorg Med Chem 18: 8341-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.063 BindingDB Entry DOI: 10.7270/Q27W6CFD
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50335390 (CHEMBL1651630 | N-Hexoxypentyl-1-deoxynojirimycin) Show SMILES CCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r| Show InChI InChI=1S/C17H35NO5/c1-2-3-4-7-10-23-11-8-5-6-9-18-12-15(20)17(22)16(21)14(18)13-19/h14-17,19-22H,2-13H2,1H3/t14-,15+,16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of GCase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measur...				Eur J Med Chem 175: 63-71 (2019) Article DOI: 10.1016/j.ejmech.2019.04.061 BindingDB Entry DOI: 10.7270/Q2TB1BBH
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM18358 ((2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-...) Show SMILES CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of GCase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measur...				Eur J Med Chem 175: 63-71 (2019) Article DOI: 10.1016/j.ejmech.2019.04.061 BindingDB Entry DOI: 10.7270/Q2TB1BBH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Non-lysosomal glucosylceramidase (Homo sapiens (Human))	BDBM50243651 (CHEMBL4061367) Show SMILES CCCCN1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1CO |r| Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...				Eur J Med Chem 175: 63-71 (2019) Article DOI: 10.1016/j.ejmech.2019.04.061 BindingDB Entry DOI: 10.7270/Q2TB1BBH
					More data for this Ligand-Target Pair
GTPase HRas (Homo sapiens (Human))	BDBM50072339 (Benzodiazepine-Distamycin Hybrid | CHEMBL102341) Show SMILES COc1cc2c(cc1OCCC(=O)Nc1cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(N)=N)n(C)c4)n(C)c3)n(C)c1)N=C[C@@H]1CCCN1C2=O |c:50| Show InChI InChI=1S/C37H43N11O7/c1-45-19-22(13-27(45)34(50)40-9-7-32(38)39)43-36(52)29-14-23(20-47(29)3)44-35(51)28-12-21(18-46(28)2)42-33(49)8-11-55-31-16-26-25(15-30(31)54-4)37(53)48-10-5-6-24(48)17-41-26/h12-20,24H,5-11H2,1-4H3,(H3,38,39)(H,40,50)(H,42,49)(H,43,52)(H,44,51)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inhibition of Ha-ras polymerase-chain reaction product				Bioorg Med Chem Lett 8: 3019-24 (1999) Article DOI: 10.1016/S0960-894X(98)00544-7 BindingDB Entry DOI: 10.7270/Q2057GFM
					More data for this Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit (Homo sapiens (Human))	BDBM50331546 (2-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)benzenes...) Show SMILES Oc1ccc2c(-c3ccccc3S(O)(=O)=O)c3ccc(=O)c(O)c3oc2c1O |(5.36,3.71,;6.7,2.94,;6.69,1.4,;8.03,.63,;9.35,1.4,;10.69,.62,;10.68,-.91,;9.35,-1.67,;9.34,-3.21,;10.67,-3.98,;12.01,-3.21,;12.01,-1.67,;13.34,-.9,;14.66,-.12,;14.12,-2.23,;12.56,.43,;12.03,1.39,;13.37,.61,;14.72,1.38,;14.73,2.94,;16.06,3.7,;13.38,3.72,;13.38,5.26,;12.04,2.95,;10.69,3.73,;9.36,2.95,;8.02,3.71,;8.02,5.25,)| Show InChI InChI=1S/C19H12O8S/c20-12-7-5-10-15(9-3-1-2-4-14(9)28(24,25)26)11-6-8-13(21)17(23)19(11)27-18(10)16(12)22/h1-8,20,22-23H,(H,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
BioPharmaNet Curated by ChEMBL					Assay Description Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA				Bioorg Med Chem 18: 8341-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.063 BindingDB Entry DOI: 10.7270/Q27W6CFD
					More data for this Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit (Homo sapiens (Human))	BDBM50331542 (3-(benzo[d][1,3]dioxol-5-yl)-5-phenyl-7H-furo[3,2-...) Show SMILES O=c1cc(-c2ccccc2)c2cc3c(coc3cc2o1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C24H14O5/c25-24-10-16(14-4-2-1-3-5-14)17-9-18-19(12-26-21(18)11-22(17)29-24)15-6-7-20-23(8-15)28-13-27-20/h1-12H,13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
BioPharmaNet Curated by ChEMBL					Assay Description Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA				Bioorg Med Chem 18: 8341-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.063 BindingDB Entry DOI: 10.7270/Q27W6CFD
					More data for this Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit (Homo sapiens (Human))	BDBM50331543 (3-(3-fluoro-4-methoxyphenyl)-5-phenyl-7H-furo[3,2-...) Show SMILES COc1ccc(cc1F)-c1coc2cc3oc(=O)cc(-c4ccccc4)c3cc12 Show InChI InChI=1S/C24H15FO4/c1-27-21-8-7-15(9-20(21)25)19-13-28-22-12-23-17(10-18(19)22)16(11-24(26)29-23)14-5-3-2-4-6-14/h2-13H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
BioPharmaNet Curated by ChEMBL					Assay Description Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA				Bioorg Med Chem 18: 8341-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.063 BindingDB Entry DOI: 10.7270/Q27W6CFD
					More data for this Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit (Homo sapiens (Human))	BDBM50331547 (CHEMBL210287 | bromopyrogallol red) Show SMILES Oc1c(Br)cc2c(-c3ccccc3S(O)(=O)=O)c3cc(Br)c(=O)c(O)c3oc2c1O |(-8.37,3.47,;-7.03,2.7,;-7.04,1.16,;-8.37,.39,;-5.7,.39,;-4.37,1.16,;-3.04,.38,;-3.04,-1.16,;-4.38,-1.91,;-4.38,-3.45,;-3.05,-4.22,;-1.71,-3.45,;-1.72,-1.92,;-.38,-1.15,;.94,-.37,;.39,-2.47,;-1.17,.19,;-1.69,1.15,;-.36,.37,;1,1.14,;2.33,.36,;1,2.7,;2.34,3.46,;-.34,3.48,;-.34,5.02,;-1.69,2.71,;-3.03,3.49,;-4.37,2.71,;-5.71,3.47,;-5.71,5.01,)| Show InChI InChI=1S/C19H10Br2O8S/c20-10-5-8-13(7-3-1-2-4-12(7)30(26,27)28)9-6-11(21)15(23)17(25)19(9)29-18(8)16(24)14(10)22/h1-6,22,24-25H,(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
BioPharmaNet Curated by ChEMBL					Assay Description Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA				Bioorg Med Chem 18: 8341-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.063 BindingDB Entry DOI: 10.7270/Q27W6CFD
					More data for this Ligand-Target Pair
Non-lysosomal glucosylceramidase (Homo sapiens (Human))	BDBM50524483 (CHEMBL4435540) Show SMILES CCCCCCOCCCCCN1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1CO |r| Show InChI InChI=1S/C17H35NO5/c1-2-3-4-7-10-23-11-8-5-6-9-18-12-15(20)17(22)16(21)14(18)13-19/h14-17,19-22H,2-13H2,1H3/t14-,15+,16-,17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...				Eur J Med Chem 175: 63-71 (2019) Article DOI: 10.1016/j.ejmech.2019.04.061 BindingDB Entry DOI: 10.7270/Q2TB1BBH
					More data for this Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit (Homo sapiens (Human))	BDBM50331541 (2-(2-methoxyethylamino)-6-methyl-3-(3,4,5-trimetho...) Show SMILES COCCNc1oc2c(c1-c1cc(OC)c(OC)c(OC)c1)c(=O)oc1c(C)cccc21 Show InChI InChI=1S/C24H25NO7/c1-13-7-6-8-15-20(13)32-24(26)19-18(23(31-21(15)19)25-9-10-27-2)14-11-16(28-3)22(30-5)17(12-14)29-4/h6-8,11-12,25H,9-10H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
BioPharmaNet Curated by ChEMBL					Assay Description Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA				Bioorg Med Chem 18: 8341-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.063 BindingDB Entry DOI: 10.7270/Q27W6CFD
					More data for this Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit (Homo sapiens (Human))	BDBM50146462 ((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...) Show SMILES OC(=O)\C=C\c1ccccc1O Show InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
BioPharmaNet Curated by ChEMBL					Assay Description Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA				Bioorg Med Chem 18: 8341-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.063 BindingDB Entry DOI: 10.7270/Q27W6CFD
					More data for this Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit (Homo sapiens (Human))	BDBM50331540 (8-(4-Methoxy-benzoyl)-4-methyl-9-phenyl-furo[2,3-h...) Show SMILES COc1ccc(cc1)C(=O)c1oc2ccc3c(C)cc(=O)oc3c2c1-c1ccccc1 Show InChI InChI=1S/C26H18O5/c1-15-14-21(27)31-25-19(15)12-13-20-23(25)22(16-6-4-3-5-7-16)26(30-20)24(28)17-8-10-18(29-2)11-9-17/h3-14H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
BioPharmaNet Curated by ChEMBL					Assay Description Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA				Bioorg Med Chem 18: 8341-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.063 BindingDB Entry DOI: 10.7270/Q27W6CFD
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50243651 (CHEMBL4061367) Show SMILES CCCCN1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1CO |r| Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of GCase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measur...				Eur J Med Chem 175: 63-71 (2019) Article DOI: 10.1016/j.ejmech.2019.04.061 BindingDB Entry DOI: 10.7270/Q2TB1BBH
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM18355 ((2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-...) Show SMILES CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1.18E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of GCase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measur...				Eur J Med Chem 175: 63-71 (2019) Article DOI: 10.1016/j.ejmech.2019.04.061 BindingDB Entry DOI: 10.7270/Q2TB1BBH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50524482 (CHEMBL4460711) Show SMILES CCCCCCCCCN1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1CO |r| Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.36E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of GCase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measur...				Eur J Med Chem 175: 63-71 (2019) Article DOI: 10.1016/j.ejmech.2019.04.061 BindingDB Entry DOI: 10.7270/Q2TB1BBH
					More data for this Ligand-Target Pair
GTPase HRas (Homo sapiens (Human))	BDBM50055659 (2N-(3,3-aminoiminopropyl)-4-[4-(4-formamido-1-meth...) Show SMILES Cn1cc(NC=O)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCC(N)=N)n(C)c2)n(C)c1 Show InChI InChI=1S/C22H27N9O4/c1-29-9-13(26-12-32)6-17(29)21(34)28-15-8-18(31(3)11-15)22(35)27-14-7-16(30(2)10-14)20(33)25-5-4-19(23)24/h6-12H,4-5H2,1-3H3,(H3,23,24)(H,25,33)(H,26,32)(H,27,35)(H,28,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inhibition of Ha-ras polymerase-chain reaction product				Bioorg Med Chem Lett 8: 3019-24 (1999) Article DOI: 10.1016/S0960-894X(98)00544-7 BindingDB Entry DOI: 10.7270/Q2057GFM
					More data for this Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit (Homo sapiens (Human))	BDBM50022178 (4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...) Show SMILES Cc1cc(=O)oc2cc(O)ccc12 Show InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
BioPharmaNet Curated by ChEMBL					Assay Description Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA				Bioorg Med Chem 18: 8341-9 (2010) Article DOI: 10.1016/j.bmc.2010.09.063 BindingDB Entry DOI: 10.7270/Q27W6CFD
					More data for this Ligand-Target Pair

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