Compile Data Set for Download or QSAR

Found 371 hits of ic50 data for polymerid = 50000279   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50356075 (CHEMBL1911818) Show SMILES CN1CCN(CC1)C(=O)[C@@H](COCc1ccc2OCCOc2c1)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F |r| Show InChI InChI=1S/C30H30ClF3N4O6/c1-37-9-11-38(12-10-37)29(40)23(18-41-17-19-4-6-25-26(15-19)43-14-13-42-25)36-27(39)21-3-2-8-35-28(21)44-24-7-5-20(16-22(24)31)30(32,33)34/h2-8,15-16,23H,9-14,17-18H2,1H3,(H,36,39)/t23-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS activity in human A549 cells assessed as amount of GM1 on the cell membrane after 72 hrs by FL-CTB-based fluorescent microscopy				Bioorg Med Chem Lett 21: 6773-7 (2011) Article DOI: 10.1016/j.bmcl.2011.09.037 BindingDB Entry DOI: 10.7270/Q2833SG2
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM339792 (US10202340, Example 11) Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1)c1ccc(OCC2CC2)cc1 |r| Show InChI InChI=1S/C28H36N2O3/c31-27(17-21-15-23-5-1-2-6-24(23)16-21)29-26(18-30-13-3-4-14-30)28(32)22-9-11-25(12-10-22)33-19-20-7-8-20/h1-2,5-6,9-12,20-21,26,28,32H,3-4,7-8,13-19H2,(H,29,31)/t26-,28-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.840	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description )Inhibition of GlcCer production in MDCKII cells stably expressing human MDR1 (obtained from The Netherlands Cancer Institute).				US Patent US10202340 (2019) BindingDB Entry DOI: 10.7270/Q21V5H30
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM339793 (US10202340, Example 12) Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1)c1ccc(OCC(F)(F)F)cc1 |r| Show InChI InChI=1S/C26H31F3N2O3/c27-26(28,29)17-34-22-9-7-19(8-10-22)25(33)23(16-31-11-3-4-12-31)30-24(32)15-18-13-20-5-1-2-6-21(20)14-18/h1-2,5-10,18,23,25,33H,3-4,11-17H2,(H,30,32)/t23-,25-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.870	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Inhibition of GlcCer production in whole wild-type MDCKII cells.				US Patent US10202340 (2019) BindingDB Entry DOI: 10.7270/Q21V5H30
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	CHEMBL5290844 Show SMILES Cc1cc(C)c(CCCP(O)(O)CC(=O)CC(O)=O)c(c1)-c1ccc(F)c(C)c1 Show InChI InChI=1S/C22H28FO5P/c1-14-9-15(2)19(20(10-14)17-6-7-21(23)16(3)11-17)5-4-8-29(27,28)13-18(24)12-22(25)26/h6-7,9-11,27-29H,4-5,8,12-13H2,1-3H3,(H,25,26)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL CHEMBL KEGG PC cid PC sid UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro inhibitory potency against human kidney renin.				Citation and Details
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50356075 (CHEMBL1911818) Show SMILES CN1CCN(CC1)C(=O)[C@@H](COCc1ccc2OCCOc2c1)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F |r| Show InChI InChI=1S/C30H30ClF3N4O6/c1-37-9-11-38(12-10-37)29(40)23(18-41-17-19-4-6-25-26(15-19)43-14-13-42-25)36-27(39)21-3-2-8-35-28(21)44-24-7-5-20(16-22(24)31)30(32,33)34/h2-8,15-16,23H,9-14,17-18H2,1H3,(H,36,39)/t23-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS assessed as amount of UDP-glucose consumed during enzyme-catalyzed reaction				Bioorg Med Chem Lett 21: 6773-7 (2011) Article DOI: 10.1016/j.bmcl.2011.09.037 BindingDB Entry DOI: 10.7270/Q2833SG2
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50356076 (CHEMBL1911817) Show SMILES CN1CCN(CC1)C(=O)[C@@H](COCc1ccccc1)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F |r| Show InChI InChI=1S/C28H28ClF3N4O4/c1-35-12-14-36(15-13-35)27(38)23(18-39-17-19-6-3-2-4-7-19)34-25(37)21-8-5-11-33-26(21)40-24-10-9-20(16-22(24)29)28(30,31)32/h2-11,16,23H,12-15,17-18H2,1H3,(H,34,37)/t23-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS assessed as amount of UDP-glucose consumed during enzyme-catalyzed reaction				Bioorg Med Chem Lett 21: 6773-7 (2011) Article DOI: 10.1016/j.bmcl.2011.09.037 BindingDB Entry DOI: 10.7270/Q2833SG2
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM339792 (US10202340, Example 11) Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1)c1ccc(OCC2CC2)cc1 |r| Show InChI InChI=1S/C28H36N2O3/c31-27(17-21-15-23-5-1-2-6-24(23)16-21)29-26(18-30-13-3-4-14-30)28(32)22-9-11-25(12-10-22)33-19-20-7-8-20/h1-2,5-6,9-12,20-21,26,28,32H,3-4,7-8,13-19H2,(H,29,31)/t26-,28-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Inhibition of GlcCer production in whole wild-type MDCKII cells.				US Patent US10202340 (2019) BindingDB Entry DOI: 10.7270/Q21V5H30
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	CHEMBL5275403 Show SMILES Cc1cc(C)c(C=CP(O)(=O)CC(=O)CC(O)=O)c(c1)-c1ccc(F)c(C)c1 |w:7.7| Show InChI InChI=1S/C21H22FO5P/c1-13-8-14(2)18(6-7-28(26,27)12-17(23)11-21(24)25)19(9-13)16-4-5-20(22)15(3)10-16/h4-10H,11-12H2,1-3H3,(H,24,25)(H,26,27)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL CHEMBL KEGG PC cid PC sid UniChem Similars		n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic activity against M2 muscarinic receptor in guinea pig left atrium derived by plotting log(DR - 1) vs log[antagonist]				Citation and Details
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50356077 (CHEMBL1911816) Show SMILES CN1CCN(CC1)C(=O)[C@@H](COCc1ccccc1)NC(=O)c1cccnc1Oc1ccc(Cl)cc1C |r| Show InChI InChI=1S/C28H31ClN4O4/c1-20-17-22(29)10-11-25(20)37-27-23(9-6-12-30-27)26(34)31-24(19-36-18-21-7-4-3-5-8-21)28(35)33-15-13-32(2)14-16-33/h3-12,17,24H,13-16,18-19H2,1-2H3,(H,31,34)/t24-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS assessed as amount of UDP-glucose consumed during enzyme-catalyzed reaction				Bioorg Med Chem Lett 21: 6773-7 (2011) Article DOI: 10.1016/j.bmcl.2011.09.037 BindingDB Entry DOI: 10.7270/Q2833SG2
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50356078 (CHEMBL1911815) Show SMILES CN1CCN(CC1)C(=O)[C@@H](COCc1ccccc1)NC(=O)c1cccnc1Oc1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C27H28Cl2N4O4/c1-32-12-14-33(15-13-32)27(35)23(18-36-17-19-6-3-2-4-7-19)31-25(34)21-8-5-11-30-26(21)37-24-10-9-20(28)16-22(24)29/h2-11,16,23H,12-15,17-18H2,1H3,(H,31,34)/t23-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS assessed as amount of UDP-glucose consumed during enzyme-catalyzed reaction				Bioorg Med Chem Lett 21: 6773-7 (2011) Article DOI: 10.1016/j.bmcl.2011.09.037 BindingDB Entry DOI: 10.7270/Q2833SG2
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50356076 (CHEMBL1911817) Show SMILES CN1CCN(CC1)C(=O)[C@@H](COCc1ccccc1)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F |r| Show InChI InChI=1S/C28H28ClF3N4O4/c1-35-12-14-36(15-13-35)27(38)23(18-39-17-19-6-3-2-4-7-19)34-25(37)21-8-5-11-33-26(21)40-24-10-9-20(16-22(24)29)28(30,31)32/h2-11,16,23H,12-15,17-18H2,1H3,(H,34,37)/t23-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS activity in human A549 cells assessed as amount of GM1 on the cell membrane after 72 hrs by FL-CTB-based fluorescent microscopy				Bioorg Med Chem Lett 21: 6773-7 (2011) Article DOI: 10.1016/j.bmcl.2011.09.037 BindingDB Entry DOI: 10.7270/Q2833SG2
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50356091 (CHEMBL1911679) Show SMILES CCCCCCCC(=O)N[C@@H](CN1CCCC1)[C@H](O)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C23H36N2O4/c1-2-3-4-5-6-9-22(26)24-19(17-25-12-7-8-13-25)23(27)18-10-11-20-21(16-18)29-15-14-28-20/h10-11,16,19,23,27H,2-9,12-15,17H2,1H3,(H,24,26)/t19-,23+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS activity in human A549 cells assessed as amount of GM1 on the cell membrane after 72 hrs by FL-CTB-based fluorescent microscopy				Bioorg Med Chem Lett 21: 6773-7 (2011) Article DOI: 10.1016/j.bmcl.2011.09.037 BindingDB Entry DOI: 10.7270/Q2833SG2
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50356090 (CHEMBL1911678) Show SMILES CCCCCCCCC(=O)N[C@@H](CN1CCCC1)[C@H](O)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C24H38N2O4/c1-2-3-4-5-6-7-10-23(27)25-20(18-26-13-8-9-14-26)24(28)19-11-12-21-22(17-19)30-16-15-29-21/h11-12,17,20,24,28H,2-10,13-16,18H2,1H3,(H,25,27)/t20-,24+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS activity in human A549 cells assessed as amount of GM1 on the cell membrane after 72 hrs by FL-CTB-based fluorescent microscopy				Bioorg Med Chem Lett 21: 6773-7 (2011) Article DOI: 10.1016/j.bmcl.2011.09.037 BindingDB Entry DOI: 10.7270/Q2833SG2
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50394804 (CHEMBL2163828) Show SMILES NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)C1(CC1)c1ccc(OC(F)(F)F)cc1 |r,TLB:9:8:1.2.7:5.4| Show InChI InChI=1S/C27H29BrF3N3O3/c28-18-5-1-16(2-6-18)13-23(24(35)34-20-7-8-21(34)15-19(32)14-20)33-25(36)26(11-12-26)17-3-9-22(10-4-17)37-27(29,30)31/h1-6,9-10,19-21,23H,7-8,11-15,32H2,(H,33,36)/t19?,20-,21+,23-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis				J Med Chem 55: 4322-35 (2012) Article DOI: 10.1021/jm300122u BindingDB Entry DOI: 10.7270/Q2MG7QMF
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50356090 (CHEMBL1911678) Show SMILES CCCCCCCCC(=O)N[C@@H](CN1CCCC1)[C@H](O)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C24H38N2O4/c1-2-3-4-5-6-7-10-23(27)25-20(18-26-13-8-9-14-26)24(28)19-11-12-21-22(17-19)30-16-15-29-21/h11-12,17,20,24,28H,2-10,13-16,18H2,1H3,(H,25,27)/t20-,24+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS in human A549 cells assessed as decrease in GM1 synthesis after 72 hrs by Fluorescence assay				J Med Chem 55: 4322-35 (2012) Article DOI: 10.1021/jm300122u BindingDB Entry DOI: 10.7270/Q2MG7QMF
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50394807 (CHEMBL2163825) Show SMILES NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r,TLB:9:8:1.2.7:5.4| Show InChI InChI=1S/C26H27Cl4N3O2/c27-15-2-1-14(21(29)10-15)9-23(24(34)33-18-4-5-19(33)13-17(31)12-18)32-25(35)26(7-8-26)20-6-3-16(28)11-22(20)30/h1-3,6,10-11,17-19,23H,4-5,7-9,12-13,31H2,(H,32,35)/t17?,18-,19+,23-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS in human A549 cells assessed as decrease in GM1 synthesis after 72 hrs by Fluorescence assay				J Med Chem 55: 4322-35 (2012) Article DOI: 10.1021/jm300122u BindingDB Entry DOI: 10.7270/Q2MG7QMF
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50356091 (CHEMBL1911679) Show SMILES CCCCCCCC(=O)N[C@@H](CN1CCCC1)[C@H](O)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C23H36N2O4/c1-2-3-4-5-6-9-22(26)24-19(17-25-12-7-8-13-25)23(27)18-10-11-20-21(16-18)29-15-14-28-20/h10-11,16,19,23,27H,2-9,12-15,17H2,1H3,(H,24,26)/t19-,23+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS in human A549 cells assessed as decrease in GM1 synthesis after 72 hrs by Fluorescence assay				J Med Chem 55: 4322-35 (2012) Article DOI: 10.1021/jm300122u BindingDB Entry DOI: 10.7270/Q2MG7QMF
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50394820 (CHEMBL2163829) Show SMILES CN1CCN(CC1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O2/c1-31-10-12-32(13-11-31)24(33)23(14-17-16-29-22-5-3-2-4-19(17)22)30-25(34)26(8-9-26)20-7-6-18(27)15-21(20)28/h2-7,15-16,23,29H,8-14H2,1H3,(H,30,34)/t23-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis				J Med Chem 55: 4322-35 (2012) Article DOI: 10.1021/jm300122u BindingDB Entry DOI: 10.7270/Q2MG7QMF
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50394812 (CHEMBL2163838) Show SMILES CN(C)CCN(C)C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C24H27Cl4N3O2/c1-30(2)10-11-31(3)22(32)21(12-15-4-5-16(25)13-19(15)27)29-23(33)24(8-9-24)18-7-6-17(26)14-20(18)28/h4-7,13-14,21H,8-12H2,1-3H3,(H,29,33)/t21-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis				J Med Chem 55: 4322-35 (2012) Article DOI: 10.1021/jm300122u BindingDB Entry DOI: 10.7270/Q2MG7QMF
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50028257 (CHEMBL3354637) Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(c(F)c1)-c1ccccc1 |r| Show InChI InChI=1S/C24H32FNO5/c25-20-13-17(9-10-19(20)18-7-3-1-4-8-18)16-31-12-6-2-5-11-26-14-22(28)24(30)23(29)21(26)15-27/h1,3-4,7-10,13,21-24,27-30H,2,5-6,11-12,14-16H2/t21-,22-,23+,24+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of glucosylceramide synthase (unknown origin) assessed as catabolism of NBD-glucosylceramide				J Med Chem 57: 9096-104 (2014) Article DOI: 10.1021/jm501181z BindingDB Entry DOI: 10.7270/Q20003PT
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM339793 (US10202340, Example 12) Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1)c1ccc(OCC(F)(F)F)cc1 |r| Show InChI InChI=1S/C26H31F3N2O3/c27-26(28,29)17-34-22-9-7-19(8-10-22)25(33)23(16-31-11-3-4-12-31)30-24(32)15-18-13-20-5-1-2-6-21(20)14-18/h1-2,5-10,18,23,25,33H,3-4,11-17H2,(H,30,32)/t23-,25-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description )Inhibition of GlcCer production in MDCKII cells stably expressing human MDR1 (obtained from The Netherlands Cancer Institute).				US Patent US10202340 (2019) BindingDB Entry DOI: 10.7270/Q21V5H30
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50356079 (CHEMBL1911814) Show SMILES CN1CCN(CC1)C(=O)[C@@H](COCc1ccccc1)NC(=O)c1cc(F)cnc1Oc1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C27H27Cl2FN4O4/c1-33-9-11-34(12-10-33)27(36)23(17-37-16-18-5-3-2-4-6-18)32-25(35)21-14-20(30)15-31-26(21)38-24-8-7-19(28)13-22(24)29/h2-8,13-15,23H,9-12,16-17H2,1H3,(H,32,35)/t23-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS assessed as amount of UDP-glucose consumed during enzyme-catalyzed reaction				Bioorg Med Chem Lett 21: 6773-7 (2011) Article DOI: 10.1016/j.bmcl.2011.09.037 BindingDB Entry DOI: 10.7270/Q2833SG2
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50028217 (CHEMBL3354037) Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc2ccc3cccc4ccc1c2c34 |r| Show InChI InChI=1S/C28H33NO5/c30-16-23-27(32)28(33)24(31)15-29(23)13-2-1-3-14-34-17-21-10-9-20-8-7-18-5-4-6-19-11-12-22(21)26(20)25(18)19/h4-12,23-24,27-28,30-33H,1-3,13-17H2/t23-,24-,27+,28+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of glucosylceramide synthase (unknown origin) assessed as catabolism of NBD-glucosylceramide				J Med Chem 57: 9096-104 (2014) Article DOI: 10.1021/jm501181z BindingDB Entry DOI: 10.7270/Q20003PT
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50028215 (CHEMBL3354035) Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc2ccccc2c1 |r| Show InChI InChI=1S/C22H31NO5/c24-14-19-21(26)22(27)20(25)13-23(19)10-4-1-5-11-28-15-16-8-9-17-6-2-3-7-18(17)12-16/h2-3,6-9,12,19-22,24-27H,1,4-5,10-11,13-15H2/t19-,20-,21+,22+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of glucosylceramide synthase (unknown origin) assessed as catabolism of NBD-glucosylceramide				J Med Chem 57: 9096-104 (2014) Article DOI: 10.1021/jm501181z BindingDB Entry DOI: 10.7270/Q20003PT
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50028206 (CHEMBL3354024) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc2ccc3cccc4ccc1c2c34 |r| Show InChI InChI=1S/C28H33NO5/c30-16-23-27(32)28(33)24(31)15-29(23)13-2-1-3-14-34-17-21-10-9-20-8-7-18-5-4-6-19-11-12-22(21)26(20)25(18)19/h4-12,23-24,27-28,30-33H,1-3,13-17H2/t23-,24+,27-,28-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Leiden University Curated by ChEMBL					Assay Description Inhibition of glucosylceramide synthase (unknown origin) assessed as catabolism of NBD-glucosylceramide				J Med Chem 57: 9096-104 (2014) Article DOI: 10.1021/jm501181z BindingDB Entry DOI: 10.7270/Q20003PT
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50028204 (CHEMBL3354022) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc2ccccc2c1 |r| Show InChI InChI=1S/C22H31NO5/c24-14-19-21(26)22(27)20(25)13-23(19)10-4-1-5-11-28-15-16-8-9-17-6-2-3-7-18(17)12-16/h2-3,6-9,12,19-22,24-27H,1,4-5,10-11,13-15H2/t19-,20+,21-,22-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Leiden University Curated by ChEMBL					Assay Description Inhibition of glucosylceramide synthase (unknown origin) assessed as catabolism of NBD-glucosylceramide				J Med Chem 57: 9096-104 (2014) Article DOI: 10.1021/jm501181z BindingDB Entry DOI: 10.7270/Q20003PT
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50028255 (CHEMBL3354635) Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C25H32F3NO5/c26-25(27,28)20-13-17(9-10-19(20)18-7-3-1-4-8-18)16-34-12-6-2-5-11-29-14-22(31)24(33)23(32)21(29)15-30/h1,3-4,7-10,13,21-24,30-33H,2,5-6,11-12,14-16H2/t21-,22-,23+,24+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of glucosylceramide synthase (unknown origin) assessed as catabolism of NBD-glucosylceramide				J Med Chem 57: 9096-104 (2014) Article DOI: 10.1021/jm501181z BindingDB Entry DOI: 10.7270/Q20003PT
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50028254 (CHEMBL3354634) Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1C(F)(F)F)-c1ccccc1 |r| Show InChI InChI=1S/C25H32F3NO5/c26-25(27,28)20-13-18(17-7-3-1-4-8-17)9-10-19(20)16-34-12-6-2-5-11-29-14-22(31)24(33)23(32)21(29)15-30/h1,3-4,7-10,13,21-24,30-33H,2,5-6,11-12,14-16H2/t21-,22-,23+,24+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of glucosylceramide synthase (unknown origin) assessed as catabolism of NBD-glucosylceramide				J Med Chem 57: 9096-104 (2014) Article DOI: 10.1021/jm501181z BindingDB Entry DOI: 10.7270/Q20003PT
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM339782 (US10202340, Example 1) Show SMILES COc1ccc(cc1F)[C@@H](O)[C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1 |r| Show InChI InChI=1S/C25H31FN2O3/c1-31-23-9-8-20(15-21(23)26)25(30)22(16-28-10-4-5-11-28)27-24(29)14-17-12-18-6-2-3-7-19(18)13-17/h2-3,6-9,15,17,22,25,30H,4-5,10-14,16H2,1H3,(H,27,29)/t22-,25-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Inhibition of GlcCer production in whole wild-type MDCKII cells.				US Patent US10202340 (2019) BindingDB Entry DOI: 10.7270/Q21V5H30
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM339783 (US10202340, Example 2) Show SMILES COc1ccc(cc1)[C@@H](O)[C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1 |r| Show InChI InChI=1S/C25H32N2O3/c1-30-22-10-8-19(9-11-22)25(29)23(17-27-12-4-5-13-27)26-24(28)16-18-14-20-6-2-3-7-21(20)15-18/h2-3,6-11,18,23,25,29H,4-5,12-17H2,1H3,(H,26,28)/t23-,25-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Inhibition of GlcCer production in whole wild-type MDCKII cells.				US Patent US10202340 (2019) BindingDB Entry DOI: 10.7270/Q21V5H30
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50394809 (CHEMBL2163823) Show SMILES NC1CCN(CC1)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C24H26BrCl2N3O2/c25-16-3-1-15(2-4-16)13-21(22(31)30-11-7-18(28)8-12-30)29-23(32)24(9-10-24)19-6-5-17(26)14-20(19)27/h1-6,14,18,21H,7-13,28H2,(H,29,32)/t21-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis				J Med Chem 55: 4322-35 (2012) Article DOI: 10.1021/jm300122u BindingDB Entry DOI: 10.7270/Q2MG7QMF
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50394806 (CHEMBL2163826) Show SMILES NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r,TLB:9:8:1.2.7:5.4| Show InChI InChI=1S/C26H28BrCl2N3O2/c27-16-3-1-15(2-4-16)11-23(24(33)32-19-6-7-20(32)14-18(30)13-19)31-25(34)26(9-10-26)21-8-5-17(28)12-22(21)29/h1-5,8,12,18-20,23H,6-7,9-11,13-14,30H2,(H,31,34)/t18?,19-,20+,23-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis				J Med Chem 55: 4322-35 (2012) Article DOI: 10.1021/jm300122u BindingDB Entry DOI: 10.7270/Q2MG7QMF
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50394805 (CHEMBL2163827) Show SMILES NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(CC1)c1ccc(OC(F)(F)F)cc1 |r,TLB:9:8:1.2.7:5.4| Show InChI InChI=1S/C27H28Cl2F3N3O3/c28-17-4-1-15(22(29)12-17)11-23(24(36)35-19-5-6-20(35)14-18(33)13-19)34-25(37)26(9-10-26)16-2-7-21(8-3-16)38-27(30,31)32/h1-4,7-8,12,18-20,23H,5-6,9-11,13-14,33H2,(H,34,37)/t18?,19-,20+,23-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis				J Med Chem 55: 4322-35 (2012) Article DOI: 10.1021/jm300122u BindingDB Entry DOI: 10.7270/Q2MG7QMF
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50394816 (CHEMBL2163833) Show SMILES CN1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C24H26Cl3N3O2/c1-29-10-12-30(13-11-29)22(31)21(14-16-2-4-17(25)5-3-16)28-23(32)24(8-9-24)19-7-6-18(26)15-20(19)27/h2-7,15,21H,8-14H2,1H3,(H,28,32)/t21-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS in human A549 cells assessed as decrease in GM1 synthesis after 72 hrs by Fluorescence assay				J Med Chem 55: 4322-35 (2012) Article DOI: 10.1021/jm300122u BindingDB Entry DOI: 10.7270/Q2MG7QMF
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50602025 (CHEMBL5181454) Show SMILES CC(C)(O)c1ccc(cc1)N1Cc2c(cc(nc2-c2ccccc2OCC(F)(F)F)C2(C)COC2)C1=O Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.129039 BindingDB Entry DOI: 10.7270/Q2ZW1R16
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM339788 (US10202340, Example 7) Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1)c1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C25H29F3N2O3/c26-25(27,28)33-21-9-7-18(8-10-21)24(32)22(16-30-11-3-4-12-30)29-23(31)15-17-13-19-5-1-2-6-20(19)14-17/h1-2,5-10,17,22,24,32H,3-4,11-16H2,(H,29,31)/t22-,24-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Inhibition of GlcCer production in whole wild-type MDCKII cells.				US Patent US10202340 (2019) BindingDB Entry DOI: 10.7270/Q21V5H30
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50394811 (CHEMBL2163839) Show SMILES CN(C)CCN(C)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C24H28BrCl2N3O2/c1-29(2)12-13-30(3)22(31)21(14-16-4-6-17(25)7-5-16)28-23(32)24(10-11-24)19-9-8-18(26)15-20(19)27/h4-9,15,21H,10-14H2,1-3H3,(H,28,32)/t21-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis				J Med Chem 55: 4322-35 (2012) Article DOI: 10.1021/jm300122u BindingDB Entry DOI: 10.7270/Q2MG7QMF
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50356094 (CHEMBL1911829) Show SMILES FC(F)(F)c1ccc(Oc2ncccc2C(=O)N[C@H](COCc2ccccc2)C(=O)N[C@@H]2CN3CCC2CC3)c(Cl)c1 |r,wD:18.18,31.32,(8.76,-41.16,;8.77,-39.62,;10.11,-38.85,;10.1,-40.39,;7.44,-38.85,;6.1,-39.61,;4.77,-38.83,;4.79,-37.3,;3.46,-36.52,;3.47,-34.98,;4.8,-34.21,;4.8,-32.67,;3.46,-31.9,;2.13,-32.67,;2.14,-34.2,;.8,-34.97,;.8,-36.51,;-.53,-34.2,;-1.86,-34.96,;-1.87,-36.5,;-3.2,-37.27,;-3.2,-38.81,;-1.87,-39.59,;-1.87,-41.13,;-.54,-41.91,;.8,-41.14,;.79,-39.59,;-.54,-38.83,;-3.2,-34.19,;-3.19,-32.65,;-4.53,-34.96,;-5.86,-34.19,;-7.2,-34.96,;-8.53,-34.18,;-8.53,-32.64,;-7.19,-31.88,;-5.86,-32.65,;-7.4,-32.68,;-7,-34.18,;6.11,-36.53,;6.11,-34.99,;7.44,-37.3,)| Show InChI InChI=1S/C30H30ClF3N4O4/c31-23-15-21(30(32,33)34)8-9-26(23)42-29-22(7-4-12-35-29)27(39)37-25(18-41-17-19-5-2-1-3-6-19)28(40)36-24-16-38-13-10-20(24)11-14-38/h1-9,12,15,20,24-25H,10-11,13-14,16-18H2,(H,36,40)(H,37,39)/t24-,25-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS activity in human A549 cells assessed as amount of GM1 on the cell membrane after 72 hrs by FL-CTB-based fluorescent microscopy				Bioorg Med Chem Lett 21: 6773-7 (2011) Article DOI: 10.1016/j.bmcl.2011.09.037 BindingDB Entry DOI: 10.7270/Q2833SG2
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50394817 (CHEMBL2163832) Show SMILES CN1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C24H25Cl4N3O2/c1-30-8-10-31(11-9-30)22(32)21(12-15-2-3-16(25)13-19(15)27)29-23(33)24(6-7-24)18-5-4-17(26)14-20(18)28/h2-5,13-14,21H,6-12H2,1H3,(H,29,33)/t21-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS in human A549 cells assessed as decrease in GM1 synthesis after 72 hrs by Fluorescence assay				J Med Chem 55: 4322-35 (2012) Article DOI: 10.1021/jm300122u BindingDB Entry DOI: 10.7270/Q2MG7QMF
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50394807 (CHEMBL2163825) Show SMILES NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r,TLB:9:8:1.2.7:5.4| Show InChI InChI=1S/C26H27Cl4N3O2/c27-15-2-1-14(21(29)10-15)9-23(24(34)33-18-4-5-19(33)13-17(31)12-18)32-25(35)26(7-8-26)20-6-3-16(28)11-22(20)30/h1-3,6,10-11,17-19,23H,4-5,7-9,12-13,31H2,(H,32,35)/t17?,18-,19+,23-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis				J Med Chem 55: 4322-35 (2012) Article DOI: 10.1021/jm300122u BindingDB Entry DOI: 10.7270/Q2MG7QMF
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50602022 (CHEMBL5197585) Show SMILES CC(C)(O)c1ccc(cc1)N1Cc2c(cc(nc2-c2ccccc2OCC(F)F)C2(C)COC2)C1=O Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.129039 BindingDB Entry DOI: 10.7270/Q2ZW1R16
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50356066 (CHEMBL1911827) Show SMILES CN[C@@H]1CCN(C1)C(=O)[C@@H](COCc1ccccc1)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F |r| Show InChI InChI=1S/C28H28ClF3N4O4/c1-33-20-11-13-36(15-20)27(38)23(17-39-16-18-6-3-2-4-7-18)35-25(37)21-8-5-12-34-26(21)40-24-10-9-19(14-22(24)29)28(30,31)32/h2-10,12,14,20,23,33H,11,13,15-17H2,1H3,(H,35,37)/t20-,23-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS activity in human A549 cells assessed as amount of GM1 on the cell membrane after 72 hrs by FL-CTB-based fluorescent microscopy				Bioorg Med Chem Lett 21: 6773-7 (2011) Article DOI: 10.1016/j.bmcl.2011.09.037 BindingDB Entry DOI: 10.7270/Q2833SG2
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM339785 (US10202340, Example 4) Show SMILES COc1ccccc1[C@@H](O)[C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1 |r| Show InChI InChI=1S/C25H32N2O3/c1-30-23-11-5-4-10-21(23)25(29)22(17-27-12-6-7-13-27)26-24(28)16-18-14-19-8-2-3-9-20(19)15-18/h2-5,8-11,18,22,25,29H,6-7,12-17H2,1H3,(H,26,28)/t22-,25-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Inhibition of GlcCer production in whole wild-type MDCKII cells.				US Patent US10202340 (2019) BindingDB Entry DOI: 10.7270/Q21V5H30
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50356094 (CHEMBL1911829) Show SMILES FC(F)(F)c1ccc(Oc2ncccc2C(=O)N[C@H](COCc2ccccc2)C(=O)N[C@@H]2CN3CCC2CC3)c(Cl)c1 |r,wD:18.18,31.32,(8.76,-41.16,;8.77,-39.62,;10.11,-38.85,;10.1,-40.39,;7.44,-38.85,;6.1,-39.61,;4.77,-38.83,;4.79,-37.3,;3.46,-36.52,;3.47,-34.98,;4.8,-34.21,;4.8,-32.67,;3.46,-31.9,;2.13,-32.67,;2.14,-34.2,;.8,-34.97,;.8,-36.51,;-.53,-34.2,;-1.86,-34.96,;-1.87,-36.5,;-3.2,-37.27,;-3.2,-38.81,;-1.87,-39.59,;-1.87,-41.13,;-.54,-41.91,;.8,-41.14,;.79,-39.59,;-.54,-38.83,;-3.2,-34.19,;-3.19,-32.65,;-4.53,-34.96,;-5.86,-34.19,;-7.2,-34.96,;-8.53,-34.18,;-8.53,-32.64,;-7.19,-31.88,;-5.86,-32.65,;-7.4,-32.68,;-7,-34.18,;6.11,-36.53,;6.11,-34.99,;7.44,-37.3,)| Show InChI InChI=1S/C30H30ClF3N4O4/c31-23-15-21(30(32,33)34)8-9-26(23)42-29-22(7-4-12-35-29)27(39)37-25(18-41-17-19-5-2-1-3-6-19)28(40)36-24-16-38-13-10-20(24)11-14-38/h1-9,12,15,20,24-25H,10-11,13-14,16-18H2,(H,36,40)(H,37,39)/t24-,25-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS assessed as amount of UDP-glucose consumed during enzyme-catalyzed reaction				Bioorg Med Chem Lett 21: 6773-7 (2011) Article DOI: 10.1016/j.bmcl.2011.09.037 BindingDB Entry DOI: 10.7270/Q2833SG2
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50028256 (CHEMBL3354636) Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1F)-c1ccccc1 |r| Show InChI InChI=1S/C24H32FNO5/c25-20-13-18(17-7-3-1-4-8-17)9-10-19(20)16-31-12-6-2-5-11-26-14-22(28)24(30)23(29)21(26)15-27/h1,3-4,7-10,13,21-24,27-30H,2,5-6,11-12,14-16H2/t21-,22-,23+,24+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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
Leiden University Curated by ChEMBL					Assay Description Inhibition of glucosylceramide synthase (unknown origin) assessed as catabolism of NBD-glucosylceramide				J Med Chem 57: 9096-104 (2014) Article DOI: 10.1021/jm501181z BindingDB Entry DOI: 10.7270/Q20003PT
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM339784 (US10202340, Example 3) Show SMILES COc1cccc(c1)[C@@H](O)[C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1 |r| Show InChI InChI=1S/C25H32N2O3/c1-30-22-10-6-9-21(16-22)25(29)23(17-27-11-4-5-12-27)26-24(28)15-18-13-19-7-2-3-8-20(19)14-18/h2-3,6-10,16,18,23,25,29H,4-5,11-15,17H2,1H3,(H,26,28)/t23-,25-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description Inhibition of GlcCer production in whole wild-type MDCKII cells.				US Patent US10202340 (2019) BindingDB Entry DOI: 10.7270/Q21V5H30
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM367616 (N-((1R,2R)-1-(3-chloro-4- cyclopropoxyphenyl)-1-hy...) Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2cc(ccc12)-c1ccc(F)cc1)c1ccc(OC2CC2)c(Cl)c1 |r,t:13| Show InChI InChI=1S/C31H31ClFN3O4/c32-26-16-21(6-12-28(26)40-24-9-10-24)30(37)27(17-36-13-1-2-14-36)34-31(38)29-25-11-5-20(15-22(25)18-39-35-29)19-3-7-23(33)8-4-19/h3-8,11-12,15-16,24,27,30,37H,1-2,9-10,13-14,17-18H2,(H,34,38)/t27-,30-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description This assay was modified based on the study by Larsen et al. (J. Lipid Res. 2011, 53, 282). Madin-Darby canine kidney (MDCK) cell lysate was prepared ...				J Med Chem 51: 1319-23 (2008) BindingDB Entry DOI: 10.7270/Q2G44SK0
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM367617 (N-((1R,2R)-1-(4-cyclopropoxy-3- fluorophenyl)-1-hy...) Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2cc(ccc12)-c1ccc(F)cc1)c1ccc(OC2CC2)c(F)c1 |r,t:13| Show InChI InChI=1S/C31H31F2N3O4/c32-23-7-3-19(4-8-23)20-5-11-25-22(15-20)18-39-35-29(25)31(38)34-27(17-36-13-1-2-14-36)30(37)21-6-12-28(26(33)16-21)40-24-9-10-24/h3-8,11-12,15-16,24,27,30,37H,1-2,9-10,13-14,17-18H2,(H,34,38)/t27-,30-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description This assay was modified based on the study by Larsen et al. (J. Lipid Res. 2011, 53, 282). Madin-Darby canine kidney (MDCK) cell lysate was prepared ...				J Med Chem 51: 1319-23 (2008) BindingDB Entry DOI: 10.7270/Q2G44SK0
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM367618 (N-((1R,2R)-1-(8-fluoro-2,3- dihydrobenzo[b][1,4]di...) Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2cc(ccc12)-c1ccc(F)cc1)c1cc(F)c2OCCOc2c1 |r,t:13| Show InChI InChI=1S/C30H29F2N3O5/c31-22-6-3-18(4-7-22)19-5-8-23-21(13-19)17-40-34-27(23)30(37)33-25(16-35-9-1-2-10-35)28(36)20-14-24(32)29-26(15-20)38-11-12-39-29/h3-8,13-15,25,28,36H,1-2,9-12,16-17H2,(H,33,37)/t25-,28-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description This assay was modified based on the study by Larsen et al. (J. Lipid Res. 2011, 53, 282). Madin-Darby canine kidney (MDCK) cell lysate was prepared ...				J Med Chem 51: 1319-23 (2008) BindingDB Entry DOI: 10.7270/Q2G44SK0
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM367622 (N-((1R,2R)-3-(azetidin-1-yl)-1-(4- cyclopropoxy-3-...) Show SMILES O[C@@H]([C@@H](CN1CCC1)NC(=O)C1=NOCc2cc(ccc12)-c1ccc(F)cc1)c1ccc(OC2CC2)c(F)c1 |r,t:12| Show InChI InChI=1S/C30H29F2N3O4/c31-22-6-2-18(3-7-22)19-4-10-24-21(14-19)17-38-34-28(24)30(37)33-26(16-35-12-1-13-35)29(36)20-5-11-27(25(32)15-20)39-23-8-9-23/h2-7,10-11,14-15,23,26,29,36H,1,8-9,12-13,16-17H2,(H,33,37)/t26-,29-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description This assay was modified based on the study by Larsen et al. (J. Lipid Res. 2011, 53, 282). Madin-Darby canine kidney (MDCK) cell lysate was prepared ...				J Med Chem 51: 1319-23 (2008) BindingDB Entry DOI: 10.7270/Q2G44SK0
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 371 total )  |  Next  |  Last  >>

Jump to: