Compile Data Set for Download or QSAR

Found 162 hits with Last Name = 'reddy' and Initial = 'kr'   

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
OXA23 carbapenemase (Acinetobacter baumannii)	BDBM50541448 (CHEMBL4633785) Show SMILES [H][C@@]12C[C@]1([H])c1ccc(F)c(C(O)=O)c1OB2O |r| Show InChI InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of Acinetobacter baumannii OXA-23 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition measured every 10 ...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50541448 (CHEMBL4633785) Show SMILES [H][C@@]12C[C@]1([H])c1ccc(F)c(C(O)=O)c1OB2O |r| Show InChI InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli KPC-2 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition and measured e...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM50541448 (CHEMBL4633785) Show SMILES [H][C@@]12C[C@]1([H])c1ccc(F)c(C(O)=O)c1OB2O |r| Show InChI InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli VIM-1 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition measured every...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50339145 (CHEMBL1689063 | trans-7-oxo-6-(sulfooxy)-1,6-diaza...) Show SMILES NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r| Show InChI InChI=1S/C7H11N3O6S/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h4-5H,1-3H2,(H2,8,11)(H,13,14,15)/t4-,5+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli KPC-2 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition and measured e...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50541449 (CHEMBL4636953) Show SMILES Nc1nnc(SCC(=O)N[C@H]2Cc3cccc(C(O)=O)c3OB2O)s1 |r| Show InChI InChI=1S/C13H13BN4O5S2/c15-12-17-18-13(25-12)24-5-9(19)16-8-4-6-2-1-3-7(11(20)21)10(6)23-14(8)22/h1-3,8,22H,4-5H2,(H2,15,17)(H,16,19)(H,20,21)/t8-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli KPC-2 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition and measured e...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50089084 (CHEMBL3317857 | Vaborbactam) Show SMILES OB1O[C@H](CC(O)=O)CC[C@@H]1NC(=O)Cc1cccs1 |r| Show InChI InChI=1S/C12H16BNO5S/c15-11(7-9-2-1-5-20-9)14-10-4-3-8(6-12(16)17)19-13(10)18/h1-2,5,8,10,18H,3-4,6-7H2,(H,14,15)(H,16,17)/t8-,10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli KPC-2 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition and measured e...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50541450 (CHEMBL4640702) Show SMILES OB1Oc2c(C[C@@H]1Sc1nncs1)cccc2C(O)=O |r| Show InChI InChI=1S/C11H9BN2O4S2/c15-10(16)7-3-1-2-6-4-8(12(17)18-9(6)7)20-11-14-13-5-19-11/h1-3,5,8,17H,4H2,(H,15,16)/t8-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli KPC-2 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition and measured e...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
OXA23 carbapenemase (Acinetobacter baumannii)	BDBM50339145 (CHEMBL1689063 | trans-7-oxo-6-(sulfooxy)-1,6-diaza...) Show SMILES NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r| Show InChI InChI=1S/C7H11N3O6S/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h4-5H,1-3H2,(H2,8,11)(H,13,14,15)/t4-,5+/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of Acinetobacter baumannii OXA-23 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition measured every 10 ...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM50339145 (CHEMBL1689063 | trans-7-oxo-6-(sulfooxy)-1,6-diaza...) Show SMILES NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r| Show InChI InChI=1S/C7H11N3O6S/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h4-5H,1-3H2,(H2,8,11)(H,13,14,15)/t4-,5+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli VIM-1 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition measured every...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
OXA23 carbapenemase (Acinetobacter baumannii)	BDBM50089084 (CHEMBL3317857 | Vaborbactam) Show SMILES OB1O[C@H](CC(O)=O)CC[C@@H]1NC(=O)Cc1cccs1 |r| Show InChI InChI=1S/C12H16BNO5S/c15-11(7-9-2-1-5-20-9)14-10-4-3-8(6-12(16)17)19-13(10)18/h1-2,5,8,10,18H,3-4,6-7H2,(H,14,15)(H,16,17)/t8-,10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of Acinetobacter baumannii OXA-23 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition measured every 10 ...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM50089084 (CHEMBL3317857 | Vaborbactam) Show SMILES OB1O[C@H](CC(O)=O)CC[C@@H]1NC(=O)Cc1cccs1 |r| Show InChI InChI=1S/C12H16BNO5S/c15-11(7-9-2-1-5-20-9)14-10-4-3-8(6-12(16)17)19-13(10)18/h1-2,5,8,10,18H,3-4,6-7H2,(H,14,15)(H,16,17)/t8-,10-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli VIM-1 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition measured every...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM451396 (US10709718, Compound 21) Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CP(O)(=O)c2ccccc2)CC1 |r,wU:19.21,wD:22.25,c:12,(-2,-4.24,;-3.33,-3.47,;-2,-2.7,;-4.67,-4.24,;-6,-3.47,;-7.34,-4.24,;-8.67,-3.47,;-8.67,-1.93,;-7.34,-1.16,;-7.34,.38,;-6,-1.93,;-4.67,-1.16,;-3.33,-1.93,;-2,-1.16,;-.67,-1.93,;.67,-1.16,;.67,.38,;-.67,1.16,;-2,.38,;2,1.15,;2,2.69,;3.33,3.46,;4.67,2.69,;6,3.46,;7.34,2.7,;8.67,3.47,;7.34,4.24,;7.34,1.16,;6,.39,;6,-1.15,;7.34,-1.92,;8.67,-1.15,;8.67,.39,;4.67,1.15,;3.33,.38,)| Show InChI InChI=1S/C27H31N4O3P/c1-27(2)24(31-23-25(28)29-17-30-26(23)34-27)21-14-12-20(13-15-21)19-10-8-18(9-11-19)16-35(32,33)22-6-4-3-5-7-22/h3-7,12-15,17-19H,8-11,16H2,1-2H3,(H,32,33)(H2,28,29,30)/t18-,19-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. US Patent					Assay Description The inhibition of DGAT-1 activity can be assessed in intestinal microsome preparations by monitoring the incorporation of radiolabeled fatty acyl-CoA...				US Patent US10709718 (2020) BindingDB Entry DOI: 10.7270/Q2XG9V68
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM451398 (US10709718, Compound 23) Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CP(O)(=O)C2CC2)CC1 |r,wU:19.21,wD:22.25,c:12,(-2,-4.24,;-3.33,-3.47,;-2,-2.7,;-4.67,-4.24,;-6,-3.47,;-7.34,-4.24,;-8.67,-3.47,;-8.67,-1.93,;-7.34,-1.16,;-7.34,.38,;-6,-1.93,;-4.67,-1.16,;-3.33,-1.93,;-2,-1.16,;-.67,-1.93,;.67,-1.16,;.67,.38,;-.67,1.16,;-2,.38,;2,1.15,;2,2.69,;3.33,3.46,;4.67,2.69,;6,3.46,;7.34,2.7,;8.67,3.47,;7.34,4.24,;7.34,1.16,;6.57,-.18,;8.11,-.18,;4.67,1.15,;3.33,.38,)| Show InChI InChI=1S/C24H31N4O3P/c1-24(2)21(28-20-22(25)26-14-27-23(20)31-24)18-9-7-17(8-10-18)16-5-3-15(4-6-16)13-32(29,30)19-11-12-19/h7-10,14-16,19H,3-6,11-13H2,1-2H3,(H,29,30)(H2,25,26,27)/t15-,16-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. US Patent					Assay Description The inhibition of DGAT-1 activity can be assessed in intestinal microsome preparations by monitoring the incorporation of radiolabeled fatty acyl-CoA...				US Patent US10709718 (2020) BindingDB Entry DOI: 10.7270/Q2XG9V68
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM451394 (US10709718, Compound 19) Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@@H](CC1)OP(O)(=O)c1cccs1 |r,wU:19.21,wD:22.28,c:12,(-2.62,-5.39,;-3.96,-4.62,;-2.62,-3.85,;-5.29,-5.39,;-6.62,-4.62,;-7.96,-5.39,;-9.29,-4.62,;-9.29,-3.08,;-7.96,-2.31,;-7.96,-.77,;-6.62,-3.08,;-5.29,-2.31,;-3.96,-3.08,;-2.62,-2.31,;-1.29,-3.08,;.05,-2.31,;.05,-.77,;-1.29,,;-2.62,-.77,;1.38,,;1.38,1.54,;2.71,2.31,;4.05,1.54,;4.05,,;2.71,-.77,;5.38,2.31,;5.38,3.85,;5.38,5.39,;3.84,3.85,;6.92,3.85,;7.83,2.6,;9.29,3.08,;9.29,4.62,;7.83,5.1,)| Show InChI InChI=1S/C24H27N4O4PS/c1-24(2)21(28-20-22(25)26-14-27-23(20)31-24)17-7-5-15(6-8-17)16-9-11-18(12-10-16)32-33(29,30)19-4-3-13-34-19/h3-8,13-14,16,18H,9-12H2,1-2H3,(H,29,30)(H2,25,26,27)/t16-,18-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. US Patent					Assay Description The inhibition of DGAT-1 activity can be assessed in intestinal microsome preparations by monitoring the incorporation of radiolabeled fatty acyl-CoA...				US Patent US10709718 (2020) BindingDB Entry DOI: 10.7270/Q2XG9V68
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM451392 (US10709718, Compound 17) Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@@H](CC1)OP(O)(=O)Cc1ccc(cc1)C(O)=O |r,wU:19.21,wD:22.28,c:12,(-3.75,-7.95,;-5.08,-7.18,;-3.75,-6.41,;-6.41,-7.95,;-7.75,-7.18,;-9.08,-7.95,;-10.42,-7.18,;-10.42,-5.64,;-9.08,-4.87,;-9.08,-3.33,;-7.75,-5.64,;-6.41,-4.87,;-5.08,-5.64,;-3.75,-4.87,;-2.41,-5.64,;-1.08,-4.87,;-1.08,-3.33,;-2.41,-2.56,;-3.75,-3.33,;.25,-2.56,;.25,-1.02,;1.59,-.25,;2.92,-1.02,;2.92,-2.56,;1.59,-3.33,;4.26,-.25,;4.26,1.29,;4.26,2.83,;2.72,1.29,;5.8,1.29,;6.57,2.62,;8.11,2.62,;8.88,3.95,;8.11,5.29,;6.57,5.29,;5.8,3.95,;8.88,6.62,;10.42,6.62,;8.11,7.95,)| Show InChI InChI=1S/C28H31N4O6P/c1-28(2)24(32-23-25(29)30-16-31-26(23)37-28)20-9-7-18(8-10-20)19-11-13-22(14-12-19)38-39(35,36)15-17-3-5-21(6-4-17)27(33)34/h3-10,16,19,22H,11-15H2,1-2H3,(H,33,34)(H,35,36)(H2,29,30,31)/t19-,22-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. US Patent					Assay Description The inhibition of DGAT-1 activity can be assessed in intestinal microsome preparations by monitoring the incorporation of radiolabeled fatty acyl-CoA...				US Patent US10709718 (2020) BindingDB Entry DOI: 10.7270/Q2XG9V68
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM451391 (US10709718, Compound 14) Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@@H](CC1)OP(O)(=O)c1ccccc1 |r,wU:19.21,wD:22.28,c:12,(-2.98,-5.39,;-4.31,-4.62,;-2.98,-3.85,;-5.64,-5.39,;-6.98,-4.62,;-8.31,-5.39,;-9.65,-4.62,;-9.65,-3.08,;-8.31,-2.31,;-8.31,-.77,;-6.98,-3.08,;-5.64,-2.31,;-4.31,-3.08,;-2.98,-2.31,;-1.64,-3.08,;-.31,-2.31,;-.31,-.77,;-1.64,,;-2.98,-.77,;1.02,,;1.02,1.54,;2.36,2.31,;3.69,1.54,;3.69,,;2.36,-.77,;5.03,2.31,;5.03,3.85,;5.03,5.39,;3.49,3.85,;6.57,3.85,;7.34,2.52,;8.88,2.52,;9.65,3.85,;8.88,5.18,;7.34,5.18,)| Show InChI InChI=1S/C26H29N4O4P/c1-26(2)23(30-22-24(27)28-16-29-25(22)33-26)19-10-8-17(9-11-19)18-12-14-20(15-13-18)34-35(31,32)21-6-4-3-5-7-21/h3-11,16,18,20H,12-15H2,1-2H3,(H,31,32)(H2,27,28,29)/t18-,20-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. US Patent					Assay Description The inhibition of DGAT-1 activity can be assessed in intestinal microsome preparations by monitoring the incorporation of radiolabeled fatty acyl-CoA...				US Patent US10709718 (2020) BindingDB Entry DOI: 10.7270/Q2XG9V68
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM451390 (US10709718, Compound 13) Show SMILES CCP(O)(=O)O[C@H]1CC[C@@H](CC1)c1ccc(cc1)C1=Nc2c(N)ncnc2OC1(C)C |r,wU:9.12,wD:6.5,t:20,(8.49,5.18,;7.72,3.85,;6.18,3.85,;6.18,5.39,;4.64,3.85,;6.18,2.31,;4.85,1.54,;3.51,2.31,;2.18,1.54,;2.18,,;3.51,-.77,;4.85,,;.85,-.77,;.85,-2.31,;-.49,-3.08,;-1.82,-2.31,;-1.82,-.77,;-.49,,;-3.16,-3.08,;-4.49,-2.31,;-5.82,-3.08,;-7.16,-2.31,;-7.16,-.77,;-8.49,-3.08,;-8.49,-4.62,;-7.16,-5.39,;-5.82,-4.62,;-4.49,-5.39,;-3.16,-4.62,;-1.82,-5.39,;-1.82,-3.85,)| Show InChI InChI=1S/C22H29N4O4P/c1-4-31(27,28)30-17-11-9-15(10-12-17)14-5-7-16(8-6-14)19-22(2,3)29-21-18(26-19)20(23)24-13-25-21/h5-8,13,15,17H,4,9-12H2,1-3H3,(H,27,28)(H2,23,24,25)/t15-,17-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. US Patent					Assay Description The inhibition of DGAT-1 activity can be assessed in intestinal microsome preparations by monitoring the incorporation of radiolabeled fatty acyl-CoA...				US Patent US10709718 (2020) BindingDB Entry DOI: 10.7270/Q2XG9V68
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM451388 (US10709718, Compound 11) Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)C1CC[C@@H](CC1)OP(O)(=O)Cc1ccccc1 |r,wD:22.28,c:12,(-2.98,-6.62,;-4.31,-5.85,;-2.98,-5.08,;-5.64,-6.62,;-6.98,-5.85,;-8.31,-6.62,;-9.65,-5.85,;-9.65,-4.31,;-8.31,-3.54,;-8.31,-2,;-6.98,-4.31,;-5.64,-3.54,;-4.31,-4.31,;-2.98,-3.54,;-1.64,-4.31,;-.31,-3.54,;-.31,-2,;-1.64,-1.23,;-2.98,-2,;1.02,-1.23,;1.02,.31,;2.36,1.08,;3.69,.31,;3.69,-1.23,;2.36,-2,;5.03,1.08,;5.03,2.62,;5.03,4.16,;3.49,2.62,;6.57,2.62,;7.34,3.95,;8.88,3.95,;9.65,5.29,;8.88,6.62,;7.34,6.62,;6.57,5.29,)| Show InChI InChI=1S/C27H31N4O4P/c1-27(2)24(31-23-25(28)29-17-30-26(23)34-27)21-10-8-19(9-11-21)20-12-14-22(15-13-20)35-36(32,33)16-18-6-4-3-5-7-18/h3-11,17,20,22H,12-16H2,1-2H3,(H,32,33)(H2,28,29,30)/t20?,22-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. US Patent					Assay Description The inhibition of DGAT-1 activity can be assessed in intestinal microsome preparations by monitoring the incorporation of radiolabeled fatty acyl-CoA...				US Patent US10709718 (2020) BindingDB Entry DOI: 10.7270/Q2XG9V68
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM451387 (US10709718, Compound 10) Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)C1CC[C@@H](CC1)OP(O)(=O)OC1CCCC1 |r,wD:22.28,c:12,(-1.44,-6.51,;-2.77,-5.74,;-1.44,-4.97,;-4.1,-6.51,;-5.44,-5.74,;-6.77,-6.51,;-8.11,-5.74,;-8.11,-4.2,;-6.77,-3.43,;-6.77,-1.89,;-5.44,-4.2,;-4.1,-3.43,;-2.77,-4.2,;-1.44,-3.43,;-.1,-4.2,;1.23,-3.43,;1.23,-1.89,;-.1,-1.12,;-1.44,-1.89,;2.56,-1.12,;2.56,.42,;3.9,1.19,;5.23,.42,;5.23,-1.12,;3.9,-1.89,;6.57,1.19,;6.57,2.73,;8.11,2.73,;5.03,2.73,;6.57,4.27,;5.23,5.04,;4.76,6.51,;3.22,6.51,;2.74,5.04,;3.99,4.14,)| Show InChI InChI=1S/C25H33N4O5P/c1-25(2)22(29-21-23(26)27-15-28-24(21)32-25)18-9-7-16(8-10-18)17-11-13-20(14-12-17)34-35(30,31)33-19-5-3-4-6-19/h7-10,15,17,19-20H,3-6,11-14H2,1-2H3,(H,30,31)(H2,26,27,28)/t17?,20-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. US Patent					Assay Description The inhibition of DGAT-1 activity can be assessed in intestinal microsome preparations by monitoring the incorporation of radiolabeled fatty acyl-CoA...				US Patent US10709718 (2020) BindingDB Entry DOI: 10.7270/Q2XG9V68
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM451382 (US10709718, Compound 9) Show SMILES CCOP(O)(=O)O[C@H]1CCC(CC1)c1ccc(cc1)C1=Nc2c(N)ncnc2OC1(C)C |r,wD:7.6,t:21,(5.23,6.54,;5.23,5,;6.57,4.23,;6.57,2.69,;8.11,2.69,;5.03,2.69,;6.57,1.15,;5.23,.38,;3.9,1.15,;2.56,.38,;2.56,-1.15,;3.9,-1.93,;5.23,-1.15,;1.23,-1.93,;1.23,-3.47,;-.1,-4.23,;-1.44,-3.47,;-1.44,-1.93,;-.1,-1.15,;-2.77,-4.23,;-4.1,-3.47,;-5.44,-4.23,;-6.77,-3.47,;-6.77,-1.93,;-8.11,-4.23,;-8.11,-5.78,;-6.77,-6.54,;-5.44,-5.78,;-4.1,-6.54,;-2.77,-5.78,;-1.44,-6.54,;-1.44,-5,)| Show InChI InChI=1S/C22H29N4O5P/c1-4-29-32(27,28)31-17-11-9-15(10-12-17)14-5-7-16(8-6-14)19-22(2,3)30-21-18(26-19)20(23)24-13-25-21/h5-8,13,15,17H,4,9-12H2,1-3H3,(H,27,28)(H2,23,24,25)/t15?,17-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. US Patent					Assay Description The inhibition of DGAT-1 activity can be assessed in intestinal microsome preparations by monitoring the incorporation of radiolabeled fatty acyl-CoA...				US Patent US10709718 (2020) BindingDB Entry DOI: 10.7270/Q2XG9V68
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM451381 (US10709718, Compound 8) Show SMILES CC(C)COP(O)(=O)O[C@H]1CC[C@@H](CC1)c1ccc(cc1)C1=Nc2c(N)ncnc2OC1(C)C |r,wU:12.15,wD:9.8,t:23,(9.65,5.95,;8.88,4.62,;9.65,3.29,;7.34,4.62,;6.57,3.29,;5.03,3.29,;5.03,4.83,;3.49,3.29,;5.03,1.75,;3.69,.98,;2.36,1.75,;1.02,.98,;1.02,-.56,;2.36,-1.33,;3.69,-.56,;-.31,-1.33,;-.31,-2.87,;-1.64,-3.64,;-2.98,-2.87,;-2.98,-1.33,;-1.64,-.56,;-4.31,-3.64,;-5.64,-2.87,;-6.98,-3.64,;-8.31,-2.87,;-8.31,-1.33,;-9.65,-3.64,;-9.65,-5.18,;-8.31,-5.95,;-6.98,-5.18,;-5.64,-5.95,;-4.31,-5.18,;-2.98,-5.95,;-2.98,-4.41,)| Show InChI InChI=1S/C24H33N4O5P/c1-15(2)13-31-34(29,30)33-19-11-9-17(10-12-19)16-5-7-18(8-6-16)21-24(3,4)32-23-20(28-21)22(25)26-14-27-23/h5-8,14-15,17,19H,9-13H2,1-4H3,(H,29,30)(H2,25,26,27)/t17-,19-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. US Patent					Assay Description The inhibition of DGAT-1 activity can be assessed in intestinal microsome preparations by monitoring the incorporation of radiolabeled fatty acyl-CoA...				US Patent US10709718 (2020) BindingDB Entry DOI: 10.7270/Q2XG9V68
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM451327 (US10709718, Compound 5) Show SMILES CP(O)(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cc1 |r,wU:8.11,wD:5.4,(10.71,2,;10.71,3.54,;12.04,2.77,;12.04,4.31,;9.37,4.31,;8.04,3.54,;6.7,4.31,;5.37,3.54,;5.37,2,;6.7,1.23,;8.04,2,;4.04,1.23,;4.04,-.31,;2.7,-1.08,;1.37,-.31,;.04,-1.08,;-1.3,-.31,;-1.3,1.23,;-2.63,-1.08,;-3.54,.17,;-5,-.31,;-5,-1.85,;-6.09,-2.93,;-7.58,-2.54,;-7.98,-1.05,;-9.46,-.65,;-10.55,-1.74,;-12.04,-1.34,;-10.15,-3.23,;-11.24,-4.31,;-8.67,-3.62,;-3.54,-2.32,;1.37,1.23,;2.7,2,)| Show InChI InChI=1S/C23H25F2N4O4P/c1-34(31,32)13-14-2-4-15(5-3-14)16-6-8-17(9-7-16)26-21(30)22-28-29-23(33-22)27-18-10-11-19(24)20(25)12-18/h6-12,14-15H,2-5,13H2,1H3,(H,26,30)(H,27,29)(H,31,32)/t14-,15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. US Patent					Assay Description The inhibition of DGAT-1 activity can be assessed in intestinal microsome preparations by monitoring the incorporation of radiolabeled fatty acyl-CoA...				US Patent US10709718 (2020) BindingDB Entry DOI: 10.7270/Q2XG9V68
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM451264 (US10709718, Compound 3) Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@@H](CC1)OP(O)(O)=O |r,wU:19.21,wD:22.28,c:12,(-2,-4.13,;-3.33,-3.36,;-2,-2.59,;-4.67,-4.13,;-6,-3.36,;-7.34,-4.13,;-8.67,-3.36,;-8.67,-1.82,;-7.34,-1.05,;-7.34,.49,;-6,-1.82,;-4.67,-1.05,;-3.33,-1.82,;-2,-1.05,;-.67,-1.82,;.67,-1.05,;.67,.49,;-.67,1.26,;-2,.49,;2,1.26,;2,2.8,;3.33,3.57,;4.67,2.8,;4.67,1.26,;3.33,.49,;6,3.57,;7.34,2.8,;8.67,3.57,;7.34,1.26,;6.57,4.13,)| Show InChI InChI=1S/C20H25N4O5P/c1-20(2)17(24-16-18(21)22-11-23-19(16)28-20)14-5-3-12(4-6-14)13-7-9-15(10-8-13)29-30(25,26)27/h3-6,11,13,15H,7-10H2,1-2H3,(H2,21,22,23)(H2,25,26,27)/t13-,15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. US Patent					Assay Description The inhibition of DGAT-1 activity can be assessed in intestinal microsome preparations by monitoring the incorporation of radiolabeled fatty acyl-CoA...				US Patent US10709718 (2020) BindingDB Entry DOI: 10.7270/Q2XG9V68
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM451262 (US10709718, Compound 1) Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CP(C)(O)=O)CC1 |r,wU:19.21,wD:22.25,c:12,(-1.44,-5.39,;-2.77,-4.62,;-1.44,-3.85,;-4.1,-5.39,;-5.44,-4.62,;-6.77,-5.39,;-8.11,-4.62,;-8.11,-3.08,;-6.77,-2.31,;-6.77,-.77,;-5.44,-3.08,;-4.1,-2.31,;-2.77,-3.08,;-1.44,-2.31,;-.1,-3.08,;1.23,-2.31,;1.23,-.77,;-.1,,;-1.44,-.77,;2.56,,;2.56,1.54,;3.9,2.31,;5.23,1.54,;6.57,2.31,;6.57,3.85,;8.11,3.85,;6.57,5.39,;5.03,3.85,;5.23,,;3.9,-.77,)| Show InChI InChI=1S/C22H29N4O3P/c1-22(2)19(26-18-20(23)24-13-25-21(18)29-22)17-10-8-16(9-11-17)15-6-4-14(5-7-15)12-30(3,27)28/h8-11,13-15H,4-7,12H2,1-3H3,(H,27,28)(H2,23,24,25)/t14-,15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. US Patent					Assay Description The inhibition of DGAT-1 activity can be assessed in intestinal microsome preparations by monitoring the incorporation of radiolabeled fatty acyl-CoA...				US Patent US10709718 (2020) BindingDB Entry DOI: 10.7270/Q2XG9V68
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM451395 (US10709718, Compound 20) Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@@H](CC1)OP(O)(=O)c1ccsc1 |r,wU:19.21,wD:22.28,c:12,(-2.62,-5.39,;-3.96,-4.62,;-2.62,-3.85,;-5.29,-5.39,;-6.62,-4.62,;-7.96,-5.39,;-9.29,-4.62,;-9.29,-3.08,;-7.96,-2.31,;-7.96,-.77,;-6.62,-3.08,;-5.29,-2.31,;-3.96,-3.08,;-2.62,-2.31,;-1.29,-3.08,;.05,-2.31,;.05,-.77,;-1.29,,;-2.62,-.77,;1.38,,;1.38,1.54,;2.71,2.31,;4.05,1.54,;4.05,,;2.71,-.77,;5.38,2.31,;5.38,3.85,;5.38,5.39,;3.84,3.85,;6.92,3.85,;7.83,2.6,;9.29,3.08,;9.29,4.62,;7.83,5.1,)| Show InChI InChI=1S/C24H27N4O4PS/c1-24(2)21(28-20-22(25)26-14-27-23(20)31-24)17-5-3-15(4-6-17)16-7-9-18(10-8-16)32-33(29,30)19-11-12-34-13-19/h3-6,11-14,16,18H,7-10H2,1-2H3,(H,29,30)(H2,25,26,27)/t16-,18-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. US Patent					Assay Description The inhibition of DGAT-1 activity can be assessed in intestinal microsome preparations by monitoring the incorporation of radiolabeled fatty acyl-CoA...				US Patent US10709718 (2020) BindingDB Entry DOI: 10.7270/Q2XG9V68
					More data for this Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (Homo sapiens (Human))	BDBM50293594 (5-(2-amino-5-isobutylthiazol-4-yl)furan-2-ylphosph...) Show SMILES CC(C)Cc1sc(N)nc1-c1ccc(o1)P(O)(O)=O Show InChI InChI=1S/C11H15N2O4PS/c1-6(2)5-8-10(13-11(12)19-8)7-3-4-9(17-7)18(14,15)16/h3-4,6H,5H2,1-2H3,(H2,12,13)(H2,14,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human liver FBPase 1				J Med Chem 53: 441-51 (2010) Article DOI: 10.1021/jm901420x BindingDB Entry DOI: 10.7270/Q2N58MFJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM451400 (US10709718, Compound 25) Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CP(O)(=O)c2cccs2)CC1 |r,wU:19.21,wD:22.25,c:12,(-2,-4.23,;-3.33,-3.47,;-2,-2.69,;-4.67,-4.23,;-6,-3.47,;-7.34,-4.23,;-8.67,-3.47,;-8.67,-1.93,;-7.34,-1.15,;-7.34,.38,;-6,-1.93,;-4.67,-1.15,;-3.33,-1.93,;-2,-1.15,;-.67,-1.93,;.67,-1.15,;.67,.38,;-.67,1.15,;-2,.38,;2,1.15,;2,2.69,;3.33,3.47,;4.67,2.69,;6,3.47,;7.34,2.69,;8.67,3.47,;7.34,4.23,;7.34,1.15,;6.09,.25,;6.57,-1.21,;8.11,-1.21,;8.58,.25,;4.67,1.15,;3.33,.38,)| Show InChI InChI=1S/C25H29N4O3PS/c1-25(2)22(29-21-23(26)27-15-28-24(21)32-25)19-11-9-18(10-12-19)17-7-5-16(6-8-17)14-33(30,31)20-4-3-13-34-20/h3-4,9-13,15-17H,5-8,14H2,1-2H3,(H,30,31)(H2,26,27,28)/t16-,17-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. US Patent					Assay Description The inhibition of DGAT-1 activity can be assessed in intestinal microsome preparations by monitoring the incorporation of radiolabeled fatty acyl-CoA...				US Patent US10709718 (2020) BindingDB Entry DOI: 10.7270/Q2XG9V68
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM451403 (US10709718, Compound 31) Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@@H](CC1)OP(O)(=O)OCc1ccncc1 |r,wU:19.21,wD:22.28,c:12,(-4.13,-5.39,;-5.47,-4.62,;-4.13,-3.85,;-6.8,-5.39,;-8.13,-4.62,;-9.47,-5.39,;-10.8,-4.62,;-10.8,-3.08,;-9.47,-2.31,;-9.47,-.77,;-8.13,-3.08,;-6.8,-2.31,;-5.47,-3.08,;-4.13,-2.31,;-2.8,-3.08,;-1.46,-2.31,;-1.46,-.77,;-2.8,,;-4.13,-.77,;-.13,,;-.13,1.54,;1.2,2.31,;2.54,1.54,;2.54,,;1.2,-.77,;3.87,2.31,;3.87,3.85,;3.87,5.39,;2.33,3.85,;5.41,3.85,;6.18,2.52,;7.72,2.52,;8.49,1.18,;10.03,1.18,;10.8,2.52,;10.03,3.85,;8.49,3.85,)| Show InChI InChI=1S/C26H30N5O5P/c1-26(2)23(31-22-24(27)29-16-30-25(22)35-26)20-5-3-18(4-6-20)19-7-9-21(10-8-19)36-37(32,33)34-15-17-11-13-28-14-12-17/h3-6,11-14,16,19,21H,7-10,15H2,1-2H3,(H,32,33)(H2,27,29,30)/t19-,21-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. US Patent					Assay Description The inhibition of DGAT-1 activity can be assessed in intestinal microsome preparations by monitoring the incorporation of radiolabeled fatty acyl-CoA...				US Patent US10709718 (2020) BindingDB Entry DOI: 10.7270/Q2XG9V68
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM451404 (US10709718, Compound 32) Show SMILES CCCCP(O)(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C1=Nc2c(N)ncnc2OC1(C)C |r,wU:11.14,wD:8.7,t:22,(9.34,-1.92,;8,-1.15,;8,.39,;6.67,1.16,;6.67,2.7,;8,3.47,;6.67,4.24,;5.33,3.46,;4,2.69,;2.67,3.46,;1.33,2.69,;1.33,1.15,;2.67,.38,;4,1.15,;,.38,;,-1.16,;-1.33,-1.93,;-2.67,-1.16,;-2.67,.38,;-1.33,1.15,;-4,-1.93,;-5.33,-1.16,;-6.67,-1.93,;-8,-1.16,;-8,.38,;-9.34,-1.93,;-9.34,-3.47,;-8,-4.24,;-6.67,-3.47,;-5.33,-4.24,;-4,-3.47,;-2.67,-4.24,;-2.67,-2.7,)| Show InChI InChI=1S/C25H35N4O3P/c1-4-5-14-33(30,31)15-17-6-8-18(9-7-17)19-10-12-20(13-11-19)22-25(2,3)32-24-21(29-22)23(26)27-16-28-24/h10-13,16-18H,4-9,14-15H2,1-3H3,(H,30,31)(H2,26,27,28)/t17-,18-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. US Patent					Assay Description The inhibition of DGAT-1 activity can be assessed in intestinal microsome preparations by monitoring the incorporation of radiolabeled fatty acyl-CoA...				US Patent US10709718 (2020) BindingDB Entry DOI: 10.7270/Q2XG9V68
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM451405 (US10709718, Compound 33) Show SMILES CC(C)P(O)(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C1=Nc2c(N)ncnc2OC1(C)C |r,wU:10.13,wD:7.6,t:21,(8.67,.39,;7.34,1.16,;6,.39,;7.34,2.7,;8.67,3.47,;7.34,4.24,;6,3.46,;4.67,2.69,;3.33,3.46,;2,2.69,;2,1.15,;3.33,.38,;4.67,1.15,;.67,.38,;.67,-1.16,;-.67,-1.93,;-2,-1.16,;-2,.38,;-.67,1.15,;-3.33,-1.93,;-4.67,-1.16,;-6,-1.93,;-7.34,-1.16,;-7.34,.38,;-8.67,-1.93,;-8.67,-3.47,;-7.34,-4.24,;-6,-3.47,;-4.67,-4.24,;-3.33,-3.47,;-2,-4.24,;-2,-2.7,)| Show InChI InChI=1S/C24H33N4O3P/c1-15(2)32(29,30)13-16-5-7-17(8-6-16)18-9-11-19(12-10-18)21-24(3,4)31-23-20(28-21)22(25)26-14-27-23/h9-12,14-17H,5-8,13H2,1-4H3,(H,29,30)(H2,25,26,27)/t16-,17-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. US Patent					Assay Description The inhibition of DGAT-1 activity can be assessed in intestinal microsome preparations by monitoring the incorporation of radiolabeled fatty acyl-CoA...				US Patent US10709718 (2020) BindingDB Entry DOI: 10.7270/Q2XG9V68
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM451406 (US10709718, Compound 34) Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CP(O)(=O)c2cccc(Cl)c2)CC1 |r,wU:19.21,wD:22.25,c:12,(-2.67,-4.24,;-4,-3.47,;-2.67,-2.7,;-5.33,-4.24,;-6.67,-3.47,;-8,-4.24,;-9.34,-3.47,;-9.34,-1.93,;-8,-1.16,;-8,.38,;-6.67,-1.93,;-5.33,-1.16,;-4,-1.93,;-2.67,-1.16,;-1.33,-1.93,;,-1.16,;,.38,;-1.33,1.15,;-2.67,.38,;1.33,1.15,;1.33,2.69,;2.67,3.46,;4,2.69,;5.33,3.46,;6.67,2.7,;8,3.47,;6.67,4.24,;6.67,1.16,;5.33,.39,;5.33,-1.15,;6.67,-1.92,;8,-1.15,;9.34,-1.92,;8,.39,;4,1.15,;2.67,.38,)| Show InChI InChI=1S/C27H30ClN4O3P/c1-27(2)24(32-23-25(29)30-16-31-26(23)35-27)20-12-10-19(11-13-20)18-8-6-17(7-9-18)15-36(33,34)22-5-3-4-21(28)14-22/h3-5,10-14,16-18H,6-9,15H2,1-2H3,(H,33,34)(H2,29,30,31)/t17-,18-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. US Patent					Assay Description The inhibition of DGAT-1 activity can be assessed in intestinal microsome preparations by monitoring the incorporation of radiolabeled fatty acyl-CoA...				US Patent US10709718 (2020) BindingDB Entry DOI: 10.7270/Q2XG9V68
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM451397 (US10709718, Compound 22) Show SMILES CCP(O)(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C1=Nc2c(N)ncnc2OC1(C)C |r,wU:9.12,wD:6.5,t:20,(8.67,.39,;7.34,1.16,;7.34,2.7,;8.67,3.47,;7.34,4.24,;6,3.46,;4.67,2.69,;3.33,3.46,;2,2.69,;2,1.15,;3.33,.38,;4.67,1.15,;.67,.38,;.67,-1.16,;-.67,-1.93,;-2,-1.16,;-2,.38,;-.67,1.16,;-3.33,-1.93,;-4.67,-1.16,;-6,-1.93,;-7.34,-1.16,;-7.34,.38,;-8.67,-1.93,;-8.67,-3.47,;-7.34,-4.24,;-6,-3.47,;-4.67,-4.24,;-3.33,-3.47,;-2,-4.24,;-2,-2.7,)| Show InChI InChI=1S/C23H31N4O3P/c1-4-31(28,29)13-15-5-7-16(8-6-15)17-9-11-18(12-10-17)20-23(2,3)30-22-19(27-20)21(24)25-14-26-22/h9-12,14-16H,4-8,13H2,1-3H3,(H,28,29)(H2,24,25,26)/t15-,16-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. US Patent					Assay Description The inhibition of DGAT-1 activity can be assessed in intestinal microsome preparations by monitoring the incorporation of radiolabeled fatty acyl-CoA...				US Patent US10709718 (2020) BindingDB Entry DOI: 10.7270/Q2XG9V68
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM451393 (US10709718, Compound 18) Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@@H](CC1)OP([O-])(=O)Cc1cccc(c1)C([O-])=O |r,wU:19.21,wD:22.28,c:12,(-2.98,-7.95,;-4.31,-7.18,;-2.98,-6.41,;-5.64,-7.95,;-6.98,-7.18,;-8.31,-7.95,;-9.65,-7.18,;-9.65,-5.64,;-8.31,-4.87,;-8.31,-3.33,;-6.98,-5.64,;-5.64,-4.87,;-4.31,-5.64,;-2.98,-4.87,;-1.64,-5.64,;-.31,-4.87,;-.31,-3.33,;-1.64,-2.56,;-2.98,-3.33,;1.02,-2.56,;1.02,-1.02,;2.36,-.25,;3.69,-1.02,;3.69,-2.56,;2.36,-3.33,;5.03,-.25,;5.03,1.29,;5.03,2.83,;3.49,1.29,;6.57,1.29,;7.34,2.62,;8.88,2.62,;9.65,3.95,;8.88,5.29,;7.34,5.29,;6.57,3.95,;6.57,6.62,;7.34,7.95,;5.03,6.62,)| Show InChI InChI=1S/C28H31N4O6P/c1-28(2)24(32-23-25(29)30-16-31-26(23)37-28)20-8-6-18(7-9-20)19-10-12-22(13-11-19)38-39(35,36)15-17-4-3-5-21(14-17)27(33)34/h3-9,14,16,19,22H,10-13,15H2,1-2H3,(H,33,34)(H,35,36)(H2,29,30,31)/p-2/t19-,22-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. US Patent					Assay Description The inhibition of DGAT-1 activity can be assessed in intestinal microsome preparations by monitoring the incorporation of radiolabeled fatty acyl-CoA...				US Patent US10709718 (2020) BindingDB Entry DOI: 10.7270/Q2XG9V68
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM451389 (US10709718, Compound 12) Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@@H](CC1)OP(O)(=O)OCCc1ccccc1 |r,wU:19.21,wD:22.28,c:12,(-4.13,-7.29,;-5.47,-6.52,;-4.13,-5.75,;-6.8,-7.29,;-8.13,-6.52,;-9.47,-7.29,;-10.8,-6.52,;-10.8,-4.98,;-9.47,-4.21,;-9.47,-2.67,;-8.13,-4.98,;-6.8,-4.21,;-5.47,-4.98,;-4.13,-4.21,;-2.8,-4.98,;-1.46,-4.21,;-1.46,-2.67,;-2.8,-1.9,;-4.13,-2.67,;-.13,-1.9,;-.13,-.36,;1.2,.41,;2.54,-.36,;2.54,-1.9,;1.2,-2.67,;3.87,.41,;3.87,1.95,;3.87,3.49,;2.33,1.95,;5.41,1.95,;6.18,3.29,;7.72,3.29,;8.49,4.62,;10.03,4.62,;10.8,5.95,;10.03,7.29,;8.49,7.29,;7.72,5.95,)| Show InChI InChI=1S/C28H33N4O5P/c1-28(2)25(32-24-26(29)30-18-31-27(24)36-28)22-10-8-20(9-11-22)21-12-14-23(15-13-21)37-38(33,34)35-17-16-19-6-4-3-5-7-19/h3-11,18,21,23H,12-17H2,1-2H3,(H,33,34)(H2,29,30,31)/t21-,23-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. US Patent					Assay Description The inhibition of DGAT-1 activity can be assessed in intestinal microsome preparations by monitoring the incorporation of radiolabeled fatty acyl-CoA...				US Patent US10709718 (2020) BindingDB Entry DOI: 10.7270/Q2XG9V68
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM451263 (US10709718, Compound 2) Show SMILES CP(O)(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)cc1 |r| Show InChI InChI=1S/C26H27N2O4P/c1-33(31,32)24-9-5-8-23(24)25(29)20-12-10-18(11-13-20)19-14-16-22(17-15-19)28-26(30)27-21-6-3-2-4-7-21/h2-4,6-7,10-17,23-24H,5,8-9H2,1H3,(H,31,32)(H2,27,28,30)/t23-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. US Patent					Assay Description The inhibition of DGAT-1 activity can be assessed in intestinal microsome preparations by monitoring the incorporation of radiolabeled fatty acyl-CoA...				US Patent US10709718 (2020) BindingDB Entry DOI: 10.7270/Q2XG9V68
					More data for this Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (Homo sapiens (Human))	BDBM50303854 (5-(4-amino-7-ethyl-5-fluoro-1-isobutyl-1H-benzo[d]...) Show SMILES CCc1cc(F)c(N)c2nc(-c3ccc(o3)P(O)(O)=O)n(CC(C)C)c12 Show InChI InChI=1S/C17H21FN3O4P/c1-4-10-7-11(18)14(19)15-16(10)21(8-9(2)3)17(20-15)12-5-6-13(25-12)26(22,23)24/h5-7,9H,4,8,19H2,1-3H3,(H2,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human liver FBPase 1				J Med Chem 53: 441-51 (2010) Article DOI: 10.1021/jm901420x BindingDB Entry DOI: 10.7270/Q2N58MFJ
					More data for this Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (Homo sapiens (Human))	BDBM50303879 (4-Amino-5-fluoro-7-[3-(N,N-dimethylamino)propyl]-1...) Show SMILES CC(C)Cn1c(nc2c(N)c(F)cc(CCCN(C)C)c12)-c1ccc(o1)P(O)(O)=O Show InChI InChI=1S/C20H28FN4O4P/c1-12(2)11-25-19-13(6-5-9-24(3)4)10-14(21)17(22)18(19)23-20(25)15-7-8-16(29-15)30(26,27)28/h7-8,10,12H,5-6,9,11,22H2,1-4H3,(H2,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human liver FBPase 1				J Med Chem 53: 441-51 (2010) Article DOI: 10.1021/jm901420x BindingDB Entry DOI: 10.7270/Q2N58MFJ
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM451401 (US10709718, Compound 26) Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CP(O)(=O)c2ccsc2)CC1 |r,wU:19.21,wD:22.25,c:12,(-2,-4.23,;-3.33,-3.47,;-2,-2.69,;-4.67,-4.23,;-6,-3.47,;-7.34,-4.23,;-8.67,-3.47,;-8.67,-1.93,;-7.34,-1.15,;-7.34,.38,;-6,-1.93,;-4.67,-1.15,;-3.33,-1.93,;-2,-1.15,;-.67,-1.93,;.67,-1.15,;.67,.38,;-.67,1.15,;-2,.38,;2,1.15,;2,2.69,;3.33,3.47,;4.67,2.69,;6,3.47,;7.34,2.69,;8.67,3.47,;7.34,4.23,;7.34,1.15,;6.09,.25,;6.57,-1.21,;8.11,-1.21,;8.58,.25,;4.67,1.15,;3.33,.38,)| Show InChI InChI=1S/C25H29N4O3PS/c1-25(2)22(29-21-23(26)27-15-28-24(21)32-25)19-9-7-18(8-10-19)17-5-3-16(4-6-17)13-33(30,31)20-11-12-34-14-20/h7-12,14-17H,3-6,13H2,1-2H3,(H,30,31)(H2,26,27,28)/t16-,17-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. US Patent					Assay Description The inhibition of DGAT-1 activity can be assessed in intestinal microsome preparations by monitoring the incorporation of radiolabeled fatty acyl-CoA...				US Patent US10709718 (2020) BindingDB Entry DOI: 10.7270/Q2XG9V68
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM451402 (US10709718, Compound 30) Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@@H](CC1)OP(O)(=O)OCc1cccnc1 |r,wU:19.21,wD:22.28,c:12,(-4.13,-5.39,;-5.47,-4.62,;-4.13,-3.85,;-6.8,-5.39,;-8.13,-4.62,;-9.47,-5.39,;-10.8,-4.62,;-10.8,-3.08,;-9.47,-2.31,;-9.47,-.77,;-8.13,-3.08,;-6.8,-2.31,;-5.47,-3.08,;-4.13,-2.31,;-2.8,-3.08,;-1.46,-2.31,;-1.46,-.77,;-2.8,,;-4.13,-.77,;-.13,,;-.13,1.54,;1.2,2.31,;2.54,1.54,;2.54,,;1.2,-.77,;3.87,2.31,;3.87,3.85,;3.87,5.39,;2.33,3.85,;5.41,3.85,;6.18,2.52,;7.72,2.52,;8.49,1.18,;10.03,1.18,;10.8,2.52,;10.03,3.85,;8.49,3.85,)| Show InChI InChI=1S/C26H30N5O5P/c1-26(2)23(31-22-24(27)29-16-30-25(22)35-26)20-7-5-18(6-8-20)19-9-11-21(12-10-19)36-37(32,33)34-15-17-4-3-13-28-14-17/h3-8,13-14,16,19,21H,9-12,15H2,1-2H3,(H,32,33)(H2,27,29,30)/t19-,21-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. US Patent					Assay Description The inhibition of DGAT-1 activity can be assessed in intestinal microsome preparations by monitoring the incorporation of radiolabeled fatty acyl-CoA...				US Patent US10709718 (2020) BindingDB Entry DOI: 10.7270/Q2XG9V68
					More data for this Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (Homo sapiens (Human))	BDBM50303863 (4-Amino-5-fluoro-1-cyclopropylmethyl-2-[5-(2-phosp...) Show SMILES Nc1c(F)ccc2n(CC3CC3)c(nc12)-c1ccc(o1)P(O)(O)=O Show InChI InChI=1S/C15H15FN3O4P/c16-9-3-4-10-14(13(9)17)18-15(19(10)7-8-1-2-8)11-5-6-12(23-11)24(20,21)22/h3-6,8H,1-2,7,17H2,(H2,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human liver FBPase 1				J Med Chem 53: 441-51 (2010) Article DOI: 10.1021/jm901420x BindingDB Entry DOI: 10.7270/Q2N58MFJ
					More data for this Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (Homo sapiens (Human))	BDBM50303871 (4-Amino-7-cyclopropyl-5-fluoro-1-isobutyl-2-[5-(2-...) Show SMILES CC(C)Cn1c(nc2c(N)c(F)cc(C3CC3)c12)-c1ccc(o1)P(O)(O)=O Show InChI InChI=1S/C18H21FN3O4P/c1-9(2)8-22-17-11(10-3-4-10)7-12(19)15(20)16(17)21-18(22)13-5-6-14(26-13)27(23,24)25/h5-7,9-10H,3-4,8,20H2,1-2H3,(H2,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human liver FBPase 1				J Med Chem 53: 441-51 (2010) Article DOI: 10.1021/jm901420x BindingDB Entry DOI: 10.7270/Q2N58MFJ
					More data for this Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (Homo sapiens (Human))	BDBM50303880 (4-Amino-5-fluoro-7-(4-chlorobutyl)-1-isobutyl-2-[5...) Show SMILES CC(C)Cn1c(nc2c(N)c(F)cc(CCCCCl)c12)-c1ccc(o1)P(O)(O)=O Show InChI InChI=1S/C19H24ClFN3O4P/c1-11(2)10-24-18-12(5-3-4-8-20)9-13(21)16(22)17(18)23-19(24)14-6-7-15(28-14)29(25,26)27/h6-7,9,11H,3-5,8,10,22H2,1-2H3,(H2,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human liver FBPase 1				J Med Chem 53: 441-51 (2010) Article DOI: 10.1021/jm901420x BindingDB Entry DOI: 10.7270/Q2N58MFJ
					More data for this Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (Homo sapiens (Human))	BDBM50303878 (4-Amino-7-(3-hydroxypropyl)-5-fluoro-1-isobutyl-2-...) Show SMILES CC(C)Cn1c(nc2c(N)c(F)cc(CCCO)c12)-c1ccc(o1)P(O)(O)=O Show InChI InChI=1S/C18H23FN3O5P/c1-10(2)9-22-17-11(4-3-7-23)8-12(19)15(20)16(17)21-18(22)13-5-6-14(27-13)28(24,25)26/h5-6,8,10,23H,3-4,7,9,20H2,1-2H3,(H2,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human liver FBPase 1				J Med Chem 53: 441-51 (2010) Article DOI: 10.1021/jm901420x BindingDB Entry DOI: 10.7270/Q2N58MFJ
					More data for this Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (Homo sapiens (Human))	BDBM50303874 (4-Amino-7-(p-chlorophenyl)-5-fluoro-1-isobutyl-2-[...) Show SMILES CC(C)Cn1c(nc2c(N)c(F)cc(-c3ccc(Cl)cc3)c12)-c1ccc(o1)P(O)(O)=O Show InChI InChI=1S/C21H20ClFN3O4P/c1-11(2)10-26-20-14(12-3-5-13(22)6-4-12)9-15(23)18(24)19(20)25-21(26)16-7-8-17(30-16)31(27,28)29/h3-9,11H,10,24H2,1-2H3,(H2,27,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human liver FBPase 1				J Med Chem 53: 441-51 (2010) Article DOI: 10.1021/jm901420x BindingDB Entry DOI: 10.7270/Q2N58MFJ
					More data for this Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (Homo sapiens (Human))	BDBM50303872 (4-Amino-7-phenyl-5-fluoro-1-isobutyl-2-[5-(2-phosp...) Show SMILES CC(C)Cn1c(nc2c(N)c(F)cc(-c3ccccc3)c12)-c1ccc(o1)P(O)(O)=O Show InChI InChI=1S/C21H21FN3O4P/c1-12(2)11-25-20-14(13-6-4-3-5-7-13)10-15(22)18(23)19(20)24-21(25)16-8-9-17(29-16)30(26,27)28/h3-10,12H,11,23H2,1-2H3,(H2,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human liver FBPase 1				J Med Chem 53: 441-51 (2010) Article DOI: 10.1021/jm901420x BindingDB Entry DOI: 10.7270/Q2N58MFJ
					More data for this Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (Homo sapiens (Human))	BDBM50303875 (4-Amino-5-fluoro-7-(n-propyl)-1-isobutyl-2-[5-(2-p...) Show SMILES CCCc1cc(F)c(N)c2nc(-c3ccc(o3)P(O)(O)=O)n(CC(C)C)c12 Show InChI InChI=1S/C18H23FN3O4P/c1-4-5-11-8-12(19)15(20)16-17(11)22(9-10(2)3)18(21-16)13-6-7-14(26-13)27(23,24)25/h6-8,10H,4-5,9,20H2,1-3H3,(H2,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human liver FBPase 1				J Med Chem 53: 441-51 (2010) Article DOI: 10.1021/jm901420x BindingDB Entry DOI: 10.7270/Q2N58MFJ
					More data for this Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (Homo sapiens (Human))	BDBM50303860 (4-Amino-5-fluoro-1-isobutyl-2-[5-(2-phosphono)fura...) Show SMILES CC(C)Cn1c(nc2c(N)c(F)ccc12)-c1ccc(o1)P(O)(O)=O Show InChI InChI=1S/C15H17FN3O4P/c1-8(2)7-19-10-4-3-9(16)13(17)14(10)18-15(19)11-5-6-12(23-11)24(20,21)22/h3-6,8H,7,17H2,1-2H3,(H2,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human liver FBPase 1				J Med Chem 53: 441-51 (2010) Article DOI: 10.1021/jm901420x BindingDB Entry DOI: 10.7270/Q2N58MFJ
					More data for this Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (Homo sapiens (Human))	BDBM50303877 (4-Amino-7-(4-methylpentyl)-5-fluoro-1-isobutyl-2-[...) Show SMILES CC(C)CCCc1cc(F)c(N)c2nc(-c3ccc(o3)P(O)(O)=O)n(CC(C)C)c12 Show InChI InChI=1S/C21H29FN3O4P/c1-12(2)6-5-7-14-10-15(22)18(23)19-20(14)25(11-13(3)4)21(24-19)16-8-9-17(29-16)30(26,27)28/h8-10,12-13H,5-7,11,23H2,1-4H3,(H2,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human liver FBPase 1				J Med Chem 53: 441-51 (2010) Article DOI: 10.1021/jm901420x BindingDB Entry DOI: 10.7270/Q2N58MFJ
					More data for this Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (Homo sapiens (Human))	BDBM50303866 (4-Amino-5-fluoro-7-chloro-1-isobutyl-2-[5-(2-phosp...) Show SMILES CC(C)Cn1c(nc2c(N)c(F)cc(Cl)c12)-c1ccc(o1)P(O)(O)=O Show InChI InChI=1S/C15H16ClFN3O4P/c1-7(2)6-20-14-8(16)5-9(17)12(18)13(14)19-15(20)10-3-4-11(24-10)25(21,22)23/h3-5,7H,6,18H2,1-2H3,(H2,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human liver FBPase 1				J Med Chem 53: 441-51 (2010) Article DOI: 10.1021/jm901420x BindingDB Entry DOI: 10.7270/Q2N58MFJ
					More data for this Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (Homo sapiens (Human))	BDBM50303867 (4-Amino-5-fluoro-7-bromo-1-isobutyl-2-[5-(2-phosph...) Show SMILES CC(C)Cn1c(nc2c(N)c(F)cc(Br)c12)-c1ccc(o1)P(O)(O)=O Show InChI InChI=1S/C15H16BrFN3O4P/c1-7(2)6-20-14-8(16)5-9(17)12(18)13(14)19-15(20)10-3-4-11(24-10)25(21,22)23/h3-5,7H,6,18H2,1-2H3,(H2,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human liver FBPase 1				J Med Chem 53: 441-51 (2010) Article DOI: 10.1021/jm901420x BindingDB Entry DOI: 10.7270/Q2N58MFJ
					More data for this Ligand-Target Pair

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