Compile Data Set for Download or QSAR

Found 33 hits with Last Name = 'dang' and Initial = 'y'   

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
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50403297 (CHEMBL5288854) Show SMILES OC(=O)CN1C[C@@H](SC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O)c1ccccc1 Show InChI InChI=1S/C22H24N2O4S2/c25-20(26)13-24-12-19(16-9-5-2-6-10-16)30-14-17(22(24)28)23-21(27)18(29)11-15-7-3-1-4-8-15/h1-10,17-19,29H,11-14H2,(H,23,27)(H,25,26)/t17-,18-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars		3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The calpain inhibitory activity(I 50) was measured as ability to enter the platelet to inhibit calpain after cell lysis(assay 2)				Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50594741 (CHEMBL5205088) Show SMILES C[C@H]1CN(Cc2cc(Cl)cc(NC(=O)c3cnc(C)nc3)c2C)CCN1C(=O)C1CCCC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The ability of compound to inhibit calpain in a preparation of lysed platelets was measured with a caseinolytic assay(assay 1)				Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50403296 (CHEMBL5284935) Show SMILES OC(=O)CN1CSCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O Show InChI InChI=1S/C16H20N2O4S2/c19-14(20)9-18-10-24-7-6-12(16(18)22)17-15(21)13(23)8-11-4-2-1-3-5-11/h1-5,12-13,23H,6-10H2,(H,17,21)(H,19,20)/t12-,13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was evaluated for the inhibition of Escherichia coli Thymidylate Synthase				Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50403300 (CHEMBL5282505) Show SMILES OC(=O)CN1C[C@H](SC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O)c1ccccc1 Show InChI InChI=1S/C22H24N2O4S2/c25-20(26)13-24-12-19(16-9-5-2-6-10-16)30-14-17(22(24)28)23-21(27)18(29)11-15-7-3-1-4-8-15/h1-10,17-19,29H,11-14H2,(H,23,27)(H,25,26)/t17-,18-,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Escherichia coli dihydrofolate reductase				Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50403299 (CHEMBL5276895) Show SMILES OC(=O)CN1[C@H](SC[C@H](NC(=O)[C@@H](CS)Cc2ccccc2)C1=O)c1ccccc1 Show InChI InChI=1S/C22H24N2O4S2/c25-19(26)12-24-21(28)18(14-30-22(24)16-9-5-2-6-10-16)23-20(27)17(13-29)11-15-7-3-1-4-8-15/h1-10,17-18,22,29H,11-14H2,(H,23,27)(H,25,26)/t17-,18+,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The ability of compound to inhibit calpain in a preparation of lysed platelets was measured with a caseinolytic assay(assay 1)				Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50403296 (CHEMBL5284935) Show SMILES OC(=O)CN1CSCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O Show InChI InChI=1S/C16H20N2O4S2/c19-14(20)9-18-10-24-7-6-12(16(18)22)17-15(21)13(23)8-11-4-2-1-3-5-11/h1-5,12-13,23H,6-10H2,(H,17,21)(H,19,20)/t12-,13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars		n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was evaluated for the inhibition of Escherichia coli Thymidylate Synthase				Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50106301 (CHEMBL3598140) Show SMILES OC(=O)c1ccc(cc1)-c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C22H12ClF3N2O3/c23-16-6-3-5-15(22(24,25)26)18(16)20(29)28-17-7-2-1-4-14(17)19(27-28)12-8-10-13(11-9-12)21(30)31/h1-11H,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was evaluated for the inhibition of Escherichia coli Thymidylate Synthase				Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50403298 (CHEMBL5187263) Show SMILES OC(=O)CN1[C@@H](SC[C@H](NC(=O)[C@@H](CS)Cc2ccccc2)C1=O)c1ccccc1 Show InChI InChI=1S/C22H24N2O4S2/c25-19(26)12-24-21(28)18(14-30-22(24)16-9-5-2-6-10-16)23-20(27)17(13-29)11-15-7-3-1-4-8-15/h1-10,17-18,22,29H,11-14H2,(H,23,27)(H,25,26)/t17-,18+,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The ability of compound to inhibit calpain in a preparation of lysed platelets was measured with a caseinolytic assay(assay 1)				Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50594741 (CHEMBL5205088) Show SMILES C[C@H]1CN(Cc2cc(Cl)cc(NC(=O)c3cnc(C)nc3)c2C)CCN1C(=O)C1CCCC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The ability of compound to inhibit calpain in a preparation of lysed platelets was measured with a caseinolytic assay(assay 1)				Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50594741 (CHEMBL5205088) Show SMILES C[C@H]1CN(Cc2cc(Cl)cc(NC(=O)c3cnc(C)nc3)c2C)CCN1C(=O)C1CCCC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The ability of compound to inhibit calpain in a preparation of lysed platelets was measured with a caseinolytic assay(assay 1)				Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50594741 (CHEMBL5205088) Show SMILES C[C@H]1CN(Cc2cc(Cl)cc(NC(=O)c3cnc(C)nc3)c2C)CCN1C(=O)C1CCCC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was evaluated for the inhibition of Escherichia coli Thymidylate Synthase				Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interleukin-17A (Homo sapiens (Human))	BDBM50403297 (CHEMBL5288854) Show SMILES OC(=O)CN1C[C@@H](SC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O)c1ccccc1 Show InChI InChI=1S/C22H24N2O4S2/c25-20(26)13-24-12-19(16-9-5-2-6-10-16)30-14-17(22(24)28)23-21(27)18(29)11-15-7-3-1-4-8-15/h1-10,17-19,29H,11-14H2,(H,23,27)(H,25,26)/t17-,18-,19+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars		n/a	n/a	221	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The calpain inhibitory activity(I 50) was measured as ability to enter the platelet to inhibit calpain after cell lysis(assay 2)				Citation and Details
					More data for this Ligand-Target Pair
Methionine aminopeptidase 1 (Homo sapiens (Human))	BDBM68281 (Bengamide A) Show SMILES CCCCCCCCCCCCCOC(=O)C1CCC(NC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)NC1 |r| Show InChI InChI=1S/C31H56N2O8/c1-5-6-7-8-9-10-11-12-13-14-15-20-41-31(39)23-17-18-24(29(37)32-21-23)33-30(38)28(40-4)27(36)26(35)25(34)19-16-22(2)3/h16,19,22-28,34-36H,5-15,17-18,20-21H2,1-4H3,(H,32,37)(H,33,38)/b19-16+/t23?,24?,25-,26+,27-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University					Assay Description The determined effects of seven bengamide analogs on the enzymatic activity of both recombinated human MetAP1 and MetAP2 in vitro.				Chem Biol 14: 764-74 (2007) Article DOI: 10.1016/j.chembiol.2007.05.010 BindingDB Entry DOI: 10.7270/Q2NC5ZN9
					More data for this Ligand-Target Pair
Methionine aminopeptidase 1 (Homo sapiens (Human))	BDBM68286 (Bengamide N | Bengamide O) Show SMILES CO[C@H]([C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)NC1CCC(CN(C)C1=O)C(=O)OCCCCCCCCCCC(C)C |r| Show InChI InChI=1S/C32H58N2O8/c1-22(2)15-13-11-9-7-8-10-12-14-20-42-32(40)24-17-18-25(31(39)34(5)21-24)33-30(38)29(41-6)28(37)27(36)26(35)19-16-23(3)4/h16,19,22-29,35-37H,7-15,17-18,20-21H2,1-6H3,(H,33,38)/b19-16+/t24?,25?,26-,27+,28-,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University					Assay Description The determined effects of seven bengamide analogs on the enzymatic activity of both recombinated human MetAP1 and MetAP2 in vitro.				Chem Biol 14: 764-74 (2007) Article DOI: 10.1016/j.chembiol.2007.05.010 BindingDB Entry DOI: 10.7270/Q2NC5ZN9
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50068270 ((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...) Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guizhou Medcial University Curated by ChEMBL					Assay Description Inhibition of IDH1 R132C mutant (unknown origin) by enzymatic assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126825 BindingDB Entry DOI: 10.7270/Q2P55S1D
					More data for this Ligand-Target Pair
Methionine aminopeptidase 1 (Homo sapiens (Human))	BDBM68285 (Bengamide M) Show SMILES CO[C@H]([C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)NC1CCC(CN(C)C1=O)C(=O)OCCCCCCCCCCCC(C)C |r| Show InChI InChI=1S/C33H60N2O8/c1-23(2)16-14-12-10-8-7-9-11-13-15-21-43-33(41)25-18-19-26(32(40)35(5)22-25)34-31(39)30(42-6)29(38)28(37)27(36)20-17-24(3)4/h17,20,23-30,36-38H,7-16,18-19,21-22H2,1-6H3,(H,34,39)/b20-17+/t25?,26?,27-,28+,29-,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University					Assay Description The determined effects of seven bengamide analogs on the enzymatic activity of both recombinated human MetAP1 and MetAP2 in vitro.				Chem Biol 14: 764-74 (2007) Article DOI: 10.1016/j.chembiol.2007.05.010 BindingDB Entry DOI: 10.7270/Q2NC5ZN9
					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM68281 (Bengamide A) Show SMILES CCCCCCCCCCCCCOC(=O)C1CCC(NC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)NC1 |r| Show InChI InChI=1S/C31H56N2O8/c1-5-6-7-8-9-10-11-12-13-14-15-20-41-31(39)23-17-18-24(29(37)32-21-23)33-30(38)28(40-4)27(36)26(35)25(34)19-16-22(2)3/h16,19,22-28,34-36H,5-15,17-18,20-21H2,1-4H3,(H,32,37)(H,33,38)/b19-16+/t23?,24?,25-,26+,27-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University					Assay Description The determined effects of seven bengamide analogs on the enzymatic activity of both recombinated human MetAP1 and MetAP2 in vitro.				Chem Biol 14: 764-74 (2007) Article DOI: 10.1016/j.chembiol.2007.05.010 BindingDB Entry DOI: 10.7270/Q2NC5ZN9
					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM68282 (Bengamide B) Show SMILES CCCCCCCCCCCCCOC(=O)C1CCC(NC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)N(C)C1 |r| Show InChI InChI=1S/C32H58N2O8/c1-6-7-8-9-10-11-12-13-14-15-16-21-42-32(40)24-18-19-25(31(39)34(4)22-24)33-30(38)29(41-5)28(37)27(36)26(35)20-17-23(2)3/h17,20,23-29,35-37H,6-16,18-19,21-22H2,1-5H3,(H,33,38)/b20-17+/t24?,25?,26-,27+,28-,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.79E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University					Assay Description The determined effects of seven bengamide analogs on the enzymatic activity of both recombinated human MetAP1 and MetAP2 in vitro.				Chem Biol 14: 764-74 (2007) Article DOI: 10.1016/j.chembiol.2007.05.010 BindingDB Entry DOI: 10.7270/Q2NC5ZN9
					More data for this Ligand-Target Pair
Methionine aminopeptidase 1 (Homo sapiens (Human))	BDBM68283 (Bengamide G) Show SMILES CCCCCCCCCCCCOC(=O)C1CCC(NC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)NC1 |r| Show InChI InChI=1S/C30H54N2O8/c1-5-6-7-8-9-10-11-12-13-14-19-40-30(38)22-16-17-23(28(36)31-20-22)32-29(37)27(39-4)26(35)25(34)24(33)18-15-21(2)3/h15,18,21-27,33-35H,5-14,16-17,19-20H2,1-4H3,(H,31,36)(H,32,37)/b18-15+/t22?,23?,24-,25+,26-,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University					Assay Description The determined effects of seven bengamide analogs on the enzymatic activity of both recombinated human MetAP1 and MetAP2 in vitro.				Chem Biol 14: 764-74 (2007) Article DOI: 10.1016/j.chembiol.2007.05.010 BindingDB Entry DOI: 10.7270/Q2NC5ZN9
					More data for this Ligand-Target Pair
Methionine aminopeptidase 1 (Homo sapiens (Human))	BDBM68282 (Bengamide B) Show SMILES CCCCCCCCCCCCCOC(=O)C1CCC(NC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)N(C)C1 |r| Show InChI InChI=1S/C32H58N2O8/c1-6-7-8-9-10-11-12-13-14-15-16-21-42-32(40)24-18-19-25(31(39)34(4)22-24)33-30(38)29(41-5)28(37)27(36)26(35)20-17-23(2)3/h17,20,23-29,35-37H,6-16,18-19,21-22H2,1-5H3,(H,33,38)/b20-17+/t24?,25?,26-,27+,28-,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University					Assay Description The determined effects of seven bengamide analogs on the enzymatic activity of both recombinated human MetAP1 and MetAP2 in vitro.				Chem Biol 14: 764-74 (2007) Article DOI: 10.1016/j.chembiol.2007.05.010 BindingDB Entry DOI: 10.7270/Q2NC5ZN9
					More data for this Ligand-Target Pair
Methionine aminopeptidase 1 (Homo sapiens (Human))	BDBM68284 (Bengamide L) Show SMILES CO[C@H]([C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)NC1CCC(CNC1=O)C(=O)OCCCCCCCCCCCC(C)C |r| Show InChI InChI=1S/C32H58N2O8/c1-22(2)15-13-11-9-7-6-8-10-12-14-20-42-32(40)24-17-18-25(30(38)33-21-24)34-31(39)29(41-5)28(37)27(36)26(35)19-16-23(3)4/h16,19,22-29,35-37H,6-15,17-18,20-21H2,1-5H3,(H,33,38)(H,34,39)/b19-16+/t24?,25?,26-,27+,28-,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University					Assay Description The determined effects of seven bengamide analogs on the enzymatic activity of both recombinated human MetAP1 and MetAP2 in vitro.				Chem Biol 14: 764-74 (2007) Article DOI: 10.1016/j.chembiol.2007.05.010 BindingDB Entry DOI: 10.7270/Q2NC5ZN9
					More data for this Ligand-Target Pair
Methionine aminopeptidase 1 (Homo sapiens (Human))	BDBM68286 (Bengamide N | Bengamide O) Show SMILES CO[C@H]([C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)NC1CCC(CN(C)C1=O)C(=O)OCCCCCCCCCCC(C)C |r| Show InChI InChI=1S/C32H58N2O8/c1-22(2)15-13-11-9-7-8-10-12-14-20-42-32(40)24-17-18-25(31(39)34(5)21-24)33-30(38)29(41-6)28(37)27(36)26(35)19-16-23(3)4/h16,19,22-29,35-37H,7-15,17-18,20-21H2,1-6H3,(H,33,38)/b19-16+/t24?,25?,26-,27+,28-,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University					Assay Description The determined effects of seven bengamide analogs on the enzymatic activity of both recombinated human MetAP1 and MetAP2 in vitro.				Chem Biol 14: 764-74 (2007) Article DOI: 10.1016/j.chembiol.2007.05.010 BindingDB Entry DOI: 10.7270/Q2NC5ZN9
					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM68286 (Bengamide N | Bengamide O) Show SMILES CO[C@H]([C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)NC1CCC(CN(C)C1=O)C(=O)OCCCCCCCCCCC(C)C |r| Show InChI InChI=1S/C32H58N2O8/c1-22(2)15-13-11-9-7-8-10-12-14-20-42-32(40)24-17-18-25(31(39)34(5)21-24)33-30(38)29(41-6)28(37)27(36)26(35)19-16-23(3)4/h16,19,22-29,35-37H,7-15,17-18,20-21H2,1-6H3,(H,33,38)/b19-16+/t24?,25?,26-,27+,28-,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
The Johns Hopkins University					Assay Description The determined effects of seven bengamide analogs on the enzymatic activity of both recombinated human MetAP1 and MetAP2 in vitro.				Chem Biol 14: 764-74 (2007) Article DOI: 10.1016/j.chembiol.2007.05.010 BindingDB Entry DOI: 10.7270/Q2NC5ZN9
					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM68283 (Bengamide G) Show SMILES CCCCCCCCCCCCOC(=O)C1CCC(NC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)NC1 |r| Show InChI InChI=1S/C30H54N2O8/c1-5-6-7-8-9-10-11-12-13-14-19-40-30(38)22-16-17-23(28(36)31-20-22)32-29(37)27(39-4)26(35)25(34)24(33)18-15-21(2)3/h15,18,21-27,33-35H,5-14,16-17,19-20H2,1-4H3,(H,31,36)(H,32,37)/b18-15+/t22?,23?,24-,25+,26-,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
The Johns Hopkins University					Assay Description The determined effects of seven bengamide analogs on the enzymatic activity of both recombinated human MetAP1 and MetAP2 in vitro.				Chem Biol 14: 764-74 (2007) Article DOI: 10.1016/j.chembiol.2007.05.010 BindingDB Entry DOI: 10.7270/Q2NC5ZN9
					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM68284 (Bengamide L) Show SMILES CO[C@H]([C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)NC1CCC(CNC1=O)C(=O)OCCCCCCCCCCCC(C)C |r| Show InChI InChI=1S/C32H58N2O8/c1-22(2)15-13-11-9-7-6-8-10-12-14-20-42-32(40)24-17-18-25(30(38)33-21-24)34-31(39)29(41-5)28(37)27(36)26(35)19-16-23(3)4/h16,19,22-29,35-37H,6-15,17-18,20-21H2,1-5H3,(H,33,38)(H,34,39)/b19-16+/t24?,25?,26-,27+,28-,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
The Johns Hopkins University					Assay Description The determined effects of seven bengamide analogs on the enzymatic activity of both recombinated human MetAP1 and MetAP2 in vitro.				Chem Biol 14: 764-74 (2007) Article DOI: 10.1016/j.chembiol.2007.05.010 BindingDB Entry DOI: 10.7270/Q2NC5ZN9
					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM68285 (Bengamide M) Show SMILES CO[C@H]([C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)NC1CCC(CN(C)C1=O)C(=O)OCCCCCCCCCCCC(C)C |r| Show InChI InChI=1S/C33H60N2O8/c1-23(2)16-14-12-10-8-7-9-11-13-15-21-43-33(41)25-18-19-26(32(40)35(5)22-25)34-31(39)30(42-6)29(38)28(37)27(36)20-17-24(3)4/h17,20,23-30,36-38H,7-16,18-19,21-22H2,1-6H3,(H,34,39)/b20-17+/t25?,26?,27-,28+,29-,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
The Johns Hopkins University					Assay Description The determined effects of seven bengamide analogs on the enzymatic activity of both recombinated human MetAP1 and MetAP2 in vitro.				Chem Biol 14: 764-74 (2007) Article DOI: 10.1016/j.chembiol.2007.05.010 BindingDB Entry DOI: 10.7270/Q2NC5ZN9
					More data for this Ligand-Target Pair
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM68286 (Bengamide N | Bengamide O) Show SMILES CO[C@H]([C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)NC1CCC(CN(C)C1=O)C(=O)OCCCCCCCCCCC(C)C |r| Show InChI InChI=1S/C32H58N2O8/c1-22(2)15-13-11-9-7-8-10-12-14-20-42-32(40)24-17-18-25(31(39)34(5)21-24)33-30(38)29(41-6)28(37)27(36)26(35)19-16-23(3)4/h16,19,22-29,35-37H,7-15,17-18,20-21H2,1-6H3,(H,33,38)/b19-16+/t24?,25?,26-,27+,28-,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
The Johns Hopkins University					Assay Description The determined effects of seven bengamide analogs on the enzymatic activity of both recombinated human MetAP1 and MetAP2 in vitro.				Chem Biol 14: 764-74 (2007) Article DOI: 10.1016/j.chembiol.2007.05.010 BindingDB Entry DOI: 10.7270/Q2NC5ZN9
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50068270 ((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...) Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guizhou Medcial University Curated by ChEMBL					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) by enzymatic assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126825 BindingDB Entry DOI: 10.7270/Q2P55S1D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50068270 ((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...) Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Guizhou Medcial University Curated by ChEMBL					Assay Description Inhibition of IDH1 (unknown origin) by enzymatic assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126825 BindingDB Entry DOI: 10.7270/Q2P55S1D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50068270 ((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...) Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.28E+4	n/a	n/a	n/a	n/a	n/a
Guizhou Medcial University Curated by ChEMBL					Assay Description Binding affinity to IDH1 R132H mutant (unknown origin) by surface plasmon resonance assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126825 BindingDB Entry DOI: 10.7270/Q2P55S1D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50068270 ((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...) Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a
Guizhou Medcial University Curated by ChEMBL					Assay Description Binding affinity to IDH1 (unknown origin) by surface plasmon resonance assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126825 BindingDB Entry DOI: 10.7270/Q2P55S1D
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50068270 ((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...) Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.81E+3	n/a	n/a	n/a	n/a	n/a
Guizhou Medcial University Curated by ChEMBL					Assay Description Binding affinity to IDH1 R132C mutant (unknown origin) by surface plasmon resonance assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126825 BindingDB Entry DOI: 10.7270/Q2P55S1D
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50153594 (CHEMBL3774855) Show SMILES CC(C)C[C@H]1C[C@H](C1)c1nnc([C@H]2CN(C[C@@H]2C(=O)Nc2ccc(C)cc2C)C(C)=O)n1C1CC1 |r,wU:4.3,6.8,12.12,wD:16.18,(2.36,7.33,;2.68,6.14,;1.81,5.27,;4.17,5.74,;4.56,4.26,;5.9,3.48,;5.11,2.21,;3.79,2.92,;5.62,.75,;7.1,.32,;7.14,-1.22,;5.7,-1.71,;5.38,-3.22,;6.42,-4.36,;5.65,-5.7,;4.14,-5.38,;4,-3.86,;2.66,-3.08,;2.67,-1.85,;1.33,-3.85,;-.01,-3.08,;0,-1.54,;-1.33,-.76,;-2.67,-1.53,;-3.73,-.91,;-2.67,-3.07,;-1.34,-3.84,;-1.35,-5.07,;6.27,-7.1,;5.55,-8.1,;7.5,-7.23,;4.75,-.52,;3.21,-.57,;1.93,-1.26,;2.03,.28,)| Show InChI InChI=1S/C28H39N5O2/c1-16(2)10-20-12-21(13-20)26-30-31-27(33(26)22-7-8-22)23-14-32(19(5)34)15-24(23)28(35)29-25-9-6-17(3)11-18(25)4/h6,9,11,16,20-24H,7-8,10,12-15H2,1-5H3,(H,29,35)/t20-,21+,23-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB	n/a	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was evaluated for the inhibition of Escherichia coli Thymidylate Synthase				Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)