Compile Data Set for Download or QSAR

Found 83 hits with Last Name = 'rodge' and Initial = 'a'   

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
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50354642 (CHEMBL1834204) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(F)cc2F)cn1)C(O)=O |r| Show InChI InChI=1S/C24H22F2N4O4/c1-13(2)21(23(32)33)30-22(31)15-5-3-14(4-6-15)19-10-8-17(12-27-19)28-24(34)29-20-9-7-16(25)11-18(20)26/h3-13,21H,1-2H3,(H,30,31)(H,32,33)(H2,28,29,34)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting				Bioorg Med Chem Lett 21: 5812-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.109 BindingDB Entry DOI: 10.7270/Q28G8M29
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50354637 (CHEMBL1834440) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2F)cn1)C(O)=O |r| Show InChI InChI=1S/C24H23FN4O4/c1-14(2)21(23(31)32)29-22(30)16-9-7-15(8-10-16)19-12-11-17(13-26-19)27-24(33)28-20-6-4-3-5-18(20)25/h3-14,21H,1-2H3,(H,29,30)(H,31,32)(H2,27,28,33)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting				Bioorg Med Chem Lett 21: 5812-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.109 BindingDB Entry DOI: 10.7270/Q28G8M29
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50354639 (CHEMBL1834201) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(F)cc2)cn1)C(O)=O |r| Show InChI InChI=1S/C24H23FN4O4/c1-14(2)21(23(31)32)29-22(30)16-5-3-15(4-6-16)20-12-11-19(13-26-20)28-24(33)27-18-9-7-17(25)8-10-18/h3-14,21H,1-2H3,(H,29,30)(H,31,32)(H2,27,28,33)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting				Bioorg Med Chem Lett 21: 5812-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.109 BindingDB Entry DOI: 10.7270/Q28G8M29
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50354638 (CHEMBL1834200) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2cccc(F)c2)cn1)C(O)=O |r| Show InChI InChI=1S/C24H23FN4O4/c1-14(2)21(23(31)32)29-22(30)16-8-6-15(7-9-16)20-11-10-19(13-26-20)28-24(33)27-18-5-3-4-17(25)12-18/h3-14,21H,1-2H3,(H,29,30)(H,31,32)(H2,27,28,33)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting				Bioorg Med Chem Lett 21: 5812-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.109 BindingDB Entry DOI: 10.7270/Q28G8M29
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM20716 ((1R,2R)-2-[(4-{4-[(phenylcarbamoyl)amino]phenyl}ph...) Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)cc1 |r| Show InChI InChI=1S/C26H24N2O4/c29-24(22-7-4-8-23(22)25(30)31)19-11-9-17(10-12-19)18-13-15-21(16-14-18)28-26(32)27-20-5-2-1-3-6-20/h1-3,5-6,9-16,22-23H,4,7-8H2,(H,30,31)(H2,27,28,32)/t22-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 expressed in Sf9 cells assessed as formation of didecanoylglycerol product after 1 hr using 14C-decanoyl-CoA by beta scinti...				Bioorg Med Chem Lett 21: 5812-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.109 BindingDB Entry DOI: 10.7270/Q28G8M29
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM20716 ((1R,2R)-2-[(4-{4-[(phenylcarbamoyl)amino]phenyl}ph...) Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)cc1 |r| Show InChI InChI=1S/C26H24N2O4/c29-24(22-7-4-8-23(22)25(30)31)19-11-9-17(10-12-19)18-13-15-21(16-14-18)28-26(32)27-20-5-2-1-3-6-20/h1-3,5-6,9-16,22-23H,4,7-8H2,(H,30,31)(H2,27,28,32)/t22-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting				Bioorg Med Chem Lett 21: 5812-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.109 BindingDB Entry DOI: 10.7270/Q28G8M29
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50354641 (CHEMBL1834203) Show SMILES COc1ccc(NC(=O)Nc2ccc(nc2)-c2ccc(cc2)C(=O)N[C@@H](C(C)C)C(O)=O)cc1 |r| Show InChI InChI=1S/C25H26N4O5/c1-15(2)22(24(31)32)29-23(30)17-6-4-16(5-7-17)21-13-10-19(14-26-21)28-25(33)27-18-8-11-20(34-3)12-9-18/h4-15,22H,1-3H3,(H,29,30)(H,31,32)(H2,27,28,33)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting				Bioorg Med Chem Lett 21: 5812-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.109 BindingDB Entry DOI: 10.7270/Q28G8M29
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50354631 (CHEMBL1834433) Show SMILES OC[C@H](NC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)nc1)C(O)=O |r| Show InChI InChI=1S/C22H20N4O5/c27-13-18(21(29)30)25-20(28)15-8-6-14(7-9-15)16-10-11-19(23-12-16)26-22(31)24-17-4-2-1-3-5-17/h1-12,18,27H,13H2,(H,25,28)(H,29,30)(H2,23,24,26,31)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting				Bioorg Med Chem Lett 21: 5812-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.109 BindingDB Entry DOI: 10.7270/Q28G8M29
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50354629 (CHEMBL1834431) Show SMILES OC(=O)CNC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)nc1 Show InChI InChI=1S/C21H18N4O4/c26-19(27)13-23-20(28)15-8-6-14(7-9-15)16-10-11-18(22-12-16)25-21(29)24-17-4-2-1-3-5-17/h1-12H,13H2,(H,23,28)(H,26,27)(H2,22,24,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting				Bioorg Med Chem Lett 21: 5812-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.109 BindingDB Entry DOI: 10.7270/Q28G8M29
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50354634 (CHEMBL1834436) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)nc1)C(O)=O |r| Show InChI InChI=1S/C25H26N4O4/c1-16(2)14-21(24(31)32)28-23(30)18-10-8-17(9-11-18)19-12-13-22(26-15-19)29-25(33)27-20-6-4-3-5-7-20/h3-13,15-16,21H,14H2,1-2H3,(H,28,30)(H,31,32)(H2,26,27,29,33)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting				Bioorg Med Chem Lett 21: 5812-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.109 BindingDB Entry DOI: 10.7270/Q28G8M29
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50354633 (CHEMBL1834435) Show SMILES CC(C)[C@@H](NC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)nc1)C(O)=O |r| Show InChI InChI=1S/C24H24N4O4/c1-15(2)21(23(30)31)28-22(29)17-10-8-16(9-11-17)18-12-13-20(25-14-18)27-24(32)26-19-6-4-3-5-7-19/h3-15,21H,1-2H3,(H,28,29)(H,30,31)(H2,25,26,27,32)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting				Bioorg Med Chem Lett 21: 5812-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.109 BindingDB Entry DOI: 10.7270/Q28G8M29
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50354636 (CHEMBL1834438) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(F)cc2F)nc1)C(O)=O |r| Show InChI InChI=1S/C24H22F2N4O4/c1-13(2)21(23(32)33)30-22(31)15-5-3-14(4-6-15)16-7-10-20(27-12-16)29-24(34)28-19-9-8-17(25)11-18(19)26/h3-13,21H,1-2H3,(H,30,31)(H,32,33)(H2,27,28,29,34)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting				Bioorg Med Chem Lett 21: 5812-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.109 BindingDB Entry DOI: 10.7270/Q28G8M29
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50354640 (CHEMBL1834202) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2OC(F)(F)F)cn1)C(O)=O |r| Show InChI InChI=1S/C25H23F3N4O5/c1-14(2)21(23(34)35)32-22(33)16-9-7-15(8-10-16)18-12-11-17(13-29-18)30-24(36)31-19-5-3-4-6-20(19)37-25(26,27)28/h3-14,21H,1-2H3,(H,32,33)(H,34,35)(H2,30,31,36)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting				Bioorg Med Chem Lett 21: 5812-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.109 BindingDB Entry DOI: 10.7270/Q28G8M29
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50354630 (CHEMBL1834432) Show SMILES C[C@H](NC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)nc1)C(O)=O |r| Show InChI InChI=1S/C22H20N4O4/c1-14(21(28)29)24-20(27)16-9-7-15(8-10-16)17-11-12-19(23-13-17)26-22(30)25-18-5-3-2-4-6-18/h2-14H,1H3,(H,24,27)(H,28,29)(H2,23,25,26,30)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting				Bioorg Med Chem Lett 21: 5812-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.109 BindingDB Entry DOI: 10.7270/Q28G8M29
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50354643 (CHEMBL1834206) Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(Nc2nc3ccc(F)cc3s2)c(F)c1 |r| Show InChI InChI=1S/C26H20F2N2O3S/c27-17-9-11-22-23(13-17)34-26(30-22)29-21-10-8-16(12-20(21)28)14-4-6-15(7-5-14)24(31)18-2-1-3-19(18)25(32)33/h4-13,18-19H,1-3H2,(H,29,30)(H,32,33)/t18-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 expressed in Sf9 cells assessed as formation of didecanoylglycerol product after 1 hr using 14C-decanoyl-CoA by beta scinti...				Bioorg Med Chem Lett 21: 5812-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.109 BindingDB Entry DOI: 10.7270/Q28G8M29
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50354632 (CHEMBL1834434) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)nc1)C(O)=O |r| Show InChI InChI=1S/C24H24N4O4/c1-15(2)21(23(30)31)28-22(29)17-10-8-16(9-11-17)18-12-13-20(25-14-18)27-24(32)26-19-6-4-3-5-7-19/h3-15,21H,1-2H3,(H,28,29)(H,30,31)(H2,25,26,27,32)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting				Bioorg Med Chem Lett 21: 5812-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.109 BindingDB Entry DOI: 10.7270/Q28G8M29
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50354635 (CHEMBL1834437) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(F)cc2)nc1)C(O)=O |r| Show InChI InChI=1S/C24H23FN4O4/c1-14(2)21(23(31)32)29-22(30)16-5-3-15(4-6-16)17-7-12-20(26-13-17)28-24(33)27-19-10-8-18(25)9-11-19/h3-14,21H,1-2H3,(H,29,30)(H,31,32)(H2,26,27,28,33)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting				Bioorg Med Chem Lett 21: 5812-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.109 BindingDB Entry DOI: 10.7270/Q28G8M29
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298023 (2-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisox...) Show SMILES Oc1ccc(cc1F)C1=NOC(CCN2C(=O)c3ccccc3C2=O)C1 |t:9| Show InChI InChI=1S/C19H15FN2O4/c20-15-9-11(5-6-17(15)23)16-10-12(26-21-16)7-8-22-18(24)13-3-1-2-4-14(13)19(22)25/h1-6,9,12,23H,7-8,10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298023 (2-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisox...) Show SMILES Oc1ccc(cc1F)C1=NOC(CCN2C(=O)c3ccccc3C2=O)C1 |t:9| Show InChI InChI=1S/C19H15FN2O4/c20-15-9-11(5-6-17(15)23)16-10-12(26-21-16)7-8-22-18(24)13-3-1-2-4-14(13)19(22)25/h1-6,9,12,23H,7-8,10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of human recombinant MIF				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298023 (2-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisox...) Show SMILES Oc1ccc(cc1F)C1=NOC(CCN2C(=O)c3ccccc3C2=O)C1 |t:9| Show InChI InChI=1S/C19H15FN2O4/c20-15-9-11(5-6-17(15)23)16-10-12(26-21-16)7-8-22-18(24)13-3-1-2-4-14(13)19(22)25/h1-6,9,12,23H,7-8,10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of spontaneous secretion/release/recognition of MIF from freshly isolated human PBMC by ELISA				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298024 (2-(3-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisox...) Show SMILES Oc1ccc(cc1F)C1=NOC(CCCN2C(=O)c3ccccc3C2=O)C1 |t:9| Show InChI InChI=1S/C20H17FN2O4/c21-16-10-12(7-8-18(16)24)17-11-13(27-22-17)4-3-9-23-19(25)14-5-1-2-6-15(14)20(23)26/h1-2,5-8,10,13,24H,3-4,9,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298024 (2-(3-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisox...) Show SMILES Oc1ccc(cc1F)C1=NOC(CCCN2C(=O)c3ccccc3C2=O)C1 |t:9| Show InChI InChI=1S/C20H17FN2O4/c21-16-10-12(7-8-18(16)24)17-11-13(27-22-17)4-3-9-23-19(25)14-5-1-2-6-15(14)20(23)26/h1-2,5-8,10,13,24H,3-4,9,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of human recombinant MIF				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298009 (CHEMBL559125 | N-cyclohexyl-3(3-(3-(3-fluoro-4-met...) Show SMILES COc1ccc(cc1F)C1=NOC(C1)c1noc(CCC(=O)NC2CCCCC2)n1 |t:10| Show InChI InChI=1S/C21H25FN4O4/c1-28-17-8-7-13(11-15(17)22)16-12-18(29-25-16)21-24-20(30-26-21)10-9-19(27)23-14-5-3-2-4-6-14/h7-8,11,14,18H,2-6,9-10,12H2,1H3,(H,23,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of human recombinant MIF				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298021 (4-fluoro-N-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-di...) Show SMILES Oc1ccc(cc1F)C1=NOC(CCNC(=O)c2ccc(F)cc2)C1 |t:9| Show InChI InChI=1S/C18H16F2N2O3/c19-13-4-1-11(2-5-13)18(24)21-8-7-14-10-16(22-25-14)12-3-6-17(23)15(20)9-12/h1-6,9,14,23H,7-8,10H2,(H,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of spontaneous secretion/release/recognition of MIF from freshly isolated human PBMC by ELISA				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298008 (3-(3-(3-(3-fluoro-4-methoxyphenyl)-4,5-dihydroisox...) Show SMILES COc1ccc(cc1F)C1=NOC(C1)c1noc(CCC(O)=O)n1 |t:10| Show InChI InChI=1S/C15H14FN3O5/c1-22-11-3-2-8(6-9(11)16)10-7-12(23-18-10)15-17-13(24-19-15)4-5-14(20)21/h2-3,6,12H,4-5,7H2,1H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298025 (1-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisox...) Show SMILES Oc1ccc(cc1F)C1=NOC(CCN2C(=O)CCC2=O)C1 |t:9| Show InChI InChI=1S/C15H15FN2O4/c16-11-7-9(1-2-13(11)19)12-8-10(22-17-12)5-6-18-14(20)3-4-15(18)21/h1-2,7,10,19H,3-6,8H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298027 (2-fluoro-4-(5((5-(trifluoromethyl)-1,2,4-oxadiazol...) Show SMILES Oc1ccc(cc1F)C1=NOC(Cc2noc(n2)C(F)(F)F)C1 |t:9| Show InChI InChI=1S/C13H9F4N3O3/c14-8-3-6(1-2-10(8)21)9-4-7(22-19-9)5-11-18-12(23-20-11)13(15,16)17/h1-3,7,21H,4-5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of spontaneous secretion/release/recognition of MIF from freshly isolated human PBMC by ELISA				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298021 (4-fluoro-N-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-di...) Show SMILES Oc1ccc(cc1F)C1=NOC(CCNC(=O)c2ccc(F)cc2)C1 |t:9| Show InChI InChI=1S/C18H16F2N2O3/c19-13-4-1-11(2-5-13)18(24)21-8-7-14-10-16(22-25-14)12-3-6-17(23)15(20)9-12/h1-6,9,14,23H,7-8,10H2,(H,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298018 (CHEMBL549864 | N-(2-(3-(3-fluoro-4-hydroxyphenyl)-...) Show SMILES CC(C)(C)C(=O)NCCC1CC(=NO1)c1ccc(O)c(F)c1 |c:11| Show InChI InChI=1S/C16H21FN2O3/c1-16(2,3)15(21)18-7-6-11-9-13(19-22-11)10-4-5-14(20)12(17)8-10/h4-5,8,11,20H,6-7,9H2,1-3H3,(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of spontaneous secretion/release/recognition of MIF from freshly isolated human PBMC by ELISA				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298020 (2,2,2-trifluoro-N-(2-(3-(3-fluoro-4-hydroxyphenyl)...) Show SMILES Oc1ccc(cc1F)C1=NOC(CCNC(=O)C(F)(F)F)C1 |t:9| Show InChI InChI=1S/C13H12F4N2O3/c14-9-5-7(1-2-11(9)20)10-6-8(22-19-10)3-4-18-12(21)13(15,16)17/h1-2,5,8,20H,3-4,6H2,(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of spontaneous secretion/release/recognition of MIF from freshly isolated human PBMC by ELISA				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298014 (3-(3-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisox...) Show SMILES Oc1ccc(cc1F)C1=NOC(C1)c1noc(n1)-c1cccc(O)c1O |t:9| Show InChI InChI=1S/C17H12FN3O5/c18-10-6-8(4-5-12(10)22)11-7-14(25-20-11)16-19-17(26-21-16)9-2-1-3-13(23)15(9)24/h1-6,14,22-24H,7H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298013 (5-(2,3-dimethoxyphenyl)-3-(3-(3-fluoro-4-methoxyph...) Show SMILES COc1ccc(cc1F)C1=NOC(C1)c1noc(n1)-c1cccc(OC)c1OC |t:10| Show InChI InChI=1S/C20H18FN3O5/c1-25-15-8-7-11(9-13(15)21)14-10-17(28-23-14)19-22-20(29-24-19)12-5-4-6-16(26-2)18(12)27-3/h4-9,17H,10H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298025 (1-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisox...) Show SMILES Oc1ccc(cc1F)C1=NOC(CCN2C(=O)CCC2=O)C1 |t:9| Show InChI InChI=1S/C15H15FN2O4/c16-11-7-9(1-2-13(11)19)12-8-10(22-17-12)5-6-18-14(20)3-4-15(18)21/h1-2,7,10,19H,3-6,8H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of spontaneous secretion/release/recognition of MIF from freshly isolated human PBMC by ELISA				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298021 (4-fluoro-N-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-di...) Show SMILES Oc1ccc(cc1F)C1=NOC(CCNC(=O)c2ccc(F)cc2)C1 |t:9| Show InChI InChI=1S/C18H16F2N2O3/c19-13-4-1-11(2-5-13)18(24)21-8-7-14-10-16(22-25-14)12-3-6-17(23)15(20)9-12/h1-6,9,14,23H,7-8,10H2,(H,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of human recombinant MIF				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298019 (CHEMBL556445 | N-(2-(3-(3-fluoro-4-hydroxyphenyl)-...) Show SMILES CC(C)CC(=O)NCCC1CC(=NO1)c1ccc(O)c(F)c1 |c:11| Show InChI InChI=1S/C16H21FN2O3/c1-10(2)7-16(21)18-6-5-12-9-14(19-22-12)11-3-4-15(20)13(17)8-11/h3-4,8,10,12,20H,5-7,9H2,1-2H3,(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of spontaneous secretion/release/recognition of MIF from freshly isolated human PBMC by ELISA				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298019 (CHEMBL556445 | N-(2-(3-(3-fluoro-4-hydroxyphenyl)-...) Show SMILES CC(C)CC(=O)NCCC1CC(=NO1)c1ccc(O)c(F)c1 |c:11| Show InChI InChI=1S/C16H21FN2O3/c1-10(2)7-16(21)18-6-5-12-9-14(19-22-12)11-3-4-15(20)13(17)8-11/h3-4,8,10,12,20H,5-7,9H2,1-2H3,(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of human recombinant MIF				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298018 (CHEMBL549864 | N-(2-(3-(3-fluoro-4-hydroxyphenyl)-...) Show SMILES CC(C)(C)C(=O)NCCC1CC(=NO1)c1ccc(O)c(F)c1 |c:11| Show InChI InChI=1S/C16H21FN2O3/c1-16(2,3)15(21)18-7-6-11-9-13(19-22-11)10-4-5-14(20)12(17)8-10/h4-5,8,11,20H,6-7,9H2,1-3H3,(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of human recombinant MIF				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298010 (CHEMBL559258 | N-cyclohexyl-3-(3-(3-(3-fluoro-4-hy...) Show SMILES Oc1ccc(cc1F)C1=NOC(C1)c1noc(CCC(=O)NC2CCCCC2)n1 |t:9| Show InChI InChI=1S/C20H23FN4O4/c21-14-10-12(6-7-16(14)26)15-11-17(28-24-15)20-23-19(29-25-20)9-8-18(27)22-13-4-2-1-3-5-13/h6-7,10,13,17,26H,1-5,8-9,11H2,(H,22,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50186426 (CHEMBL210858 | US10336721, ISO-1 | US10968198, ISO...) Show SMILES COC(=O)CC1CC(=NO1)c1ccc(O)cc1 |c:7| Show InChI InChI=1S/C12H13NO4/c1-16-12(15)7-10-6-11(13-17-10)8-2-4-9(14)5-3-8/h2-5,10,14H,6-7H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of spontaneous secretion/release/recognition of MIF from freshly isolated human PBMC by ELISA				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298018 (CHEMBL549864 | N-(2-(3-(3-fluoro-4-hydroxyphenyl)-...) Show SMILES CC(C)(C)C(=O)NCCC1CC(=NO1)c1ccc(O)c(F)c1 |c:11| Show InChI InChI=1S/C16H21FN2O3/c1-16(2,3)15(21)18-7-6-11-9-13(19-22-11)10-4-5-14(20)12(17)8-10/h4-5,8,11,20H,6-7,9H2,1-3H3,(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298019 (CHEMBL556445 | N-(2-(3-(3-fluoro-4-hydroxyphenyl)-...) Show SMILES CC(C)CC(=O)NCCC1CC(=NO1)c1ccc(O)c(F)c1 |c:11| Show InChI InChI=1S/C16H21FN2O3/c1-10(2)7-16(21)18-6-5-12-9-14(19-22-12)11-3-4-15(20)13(17)8-11/h3-4,8,10,12,20H,5-7,9H2,1-2H3,(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298022 (2-((3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxaz...) Show SMILES Oc1ccc(cc1F)C1=NOC(CN2C(=O)c3ccccc3C2=O)C1 |t:9| Show InChI InChI=1S/C18H13FN2O4/c19-14-7-10(5-6-16(14)22)15-8-11(25-20-15)9-21-17(23)12-3-1-2-4-13(12)18(21)24/h1-7,11,22H,8-9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298009 (CHEMBL559125 | N-cyclohexyl-3(3-(3-(3-fluoro-4-met...) Show SMILES COc1ccc(cc1F)C1=NOC(C1)c1noc(CCC(=O)NC2CCCCC2)n1 |t:10| Show InChI InChI=1S/C21H25FN4O4/c1-28-17-8-7-13(11-15(17)22)16-12-18(29-25-16)21-24-20(30-26-21)10-9-19(27)23-14-5-3-2-4-6-14/h7-8,11,14,18H,2-6,9-10,12H2,1H3,(H,23,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298013 (5-(2,3-dimethoxyphenyl)-3-(3-(3-fluoro-4-methoxyph...) Show SMILES COc1ccc(cc1F)C1=NOC(C1)c1noc(n1)-c1cccc(OC)c1OC |t:10| Show InChI InChI=1S/C20H18FN3O5/c1-25-15-8-7-11(9-13(15)21)14-10-17(28-23-14)19-22-20(29-24-19)12-5-4-6-16(26-2)18(12)27-3/h4-9,17H,10H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of human recombinant MIF				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298022 (2-((3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxaz...) Show SMILES Oc1ccc(cc1F)C1=NOC(CN2C(=O)c3ccccc3C2=O)C1 |t:9| Show InChI InChI=1S/C18H13FN2O4/c19-14-7-10(5-6-16(14)22)15-8-11(25-20-15)9-21-17(23)12-3-1-2-4-13(12)18(21)24/h1-7,11,22H,8-9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of human recombinant MIF				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298027 (2-fluoro-4-(5((5-(trifluoromethyl)-1,2,4-oxadiazol...) Show SMILES Oc1ccc(cc1F)C1=NOC(Cc2noc(n2)C(F)(F)F)C1 |t:9| Show InChI InChI=1S/C13H9F4N3O3/c14-8-3-6(1-2-10(8)21)9-4-7(22-19-9)5-11-18-12(23-20-11)13(15,16)17/h1-3,7,21H,4-5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298020 (2,2,2-trifluoro-N-(2-(3-(3-fluoro-4-hydroxyphenyl)...) Show SMILES Oc1ccc(cc1F)C1=NOC(CCNC(=O)C(F)(F)F)C1 |t:9| Show InChI InChI=1S/C13H12F4N2O3/c14-9-5-7(1-2-11(9)20)10-6-8(22-19-10)3-4-18-12(21)13(15,16)17/h1-2,5,8,20H,3-4,6H2,(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298011 (CHEMBL563301 | methyl 3-(3-(3(3-fluoro-4hydroxyphe...) Show SMILES COC(=O)CCc1nc(no1)C1CC(=NO1)c1ccc(O)c(F)c1 |c:14| Show InChI InChI=1S/C15H14FN3O5/c1-22-14(21)5-4-13-17-15(19-24-13)12-7-10(18-23-12)8-2-3-11(20)9(16)6-8/h2-3,6,12,20H,4-5,7H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298025 (1-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisox...) Show SMILES Oc1ccc(cc1F)C1=NOC(CCN2C(=O)CCC2=O)C1 |t:9| Show InChI InChI=1S/C15H15FN2O4/c16-11-7-9(1-2-13(11)19)12-8-10(22-17-12)5-6-18-14(20)3-4-15(18)21/h1-2,7,10,19H,3-6,8H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of human recombinant MIF				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298026 (3-((3-(3-fluoro-4-methoxyphenyl)-4,5-dihydroisoxaz...) Show SMILES COc1ccc(cc1F)C1=NOC(Cc2noc(n2)C(F)(F)F)C1 |t:10| Show InChI InChI=1S/C14H11F4N3O3/c1-22-11-3-2-7(4-9(11)15)10-5-8(23-20-10)6-12-19-13(24-21-12)14(16,17)18/h2-4,8H,5-6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of human recombinant MIF				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair

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