Compile Data Set for Download or QSAR

Found 626 hits with Last Name = 'ives' and Initial = 'j'   

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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50014156 (4-(2-Methoxy-phenyl)-2-(5-methyl-1H-imidazol-4-ylm...) Show SMILES COc1ccccc1-c1csc(Cc2[nH]cnc2C)n1 Show InChI InChI=1S/C15H15N3OS/c1-10-12(17-9-16-10)7-15-18-13(8-20-15)11-5-3-4-6-14(11)19-2/h3-6,8-9H,7H2,1-2H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50014164 (8-[2-(5-Methyl-1H-imidazol-4-ylmethyl)-thiazol-4-y...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1cccc2cccnc12 Show InChI InChI=1S/C17H14N4S/c1-11-14(20-10-19-11)8-16-21-15(9-22-16)13-6-2-4-12-5-3-7-18-17(12)13/h2-7,9-10H,8H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Mus musculus (house mouse))	BDBM50000492 ((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)| Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description The binding affinity was measured for 5-hydroxytryptamine 3 receptor on NG 108-15 cell line of mouse neuroblastoma-glioma cells in presence of [3H]5 ...				J Med Chem 33: 3020-3 (1990) BindingDB Entry DOI: 10.7270/Q2VM4FGR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50014159 (4-(2-Fluoro-phenyl)-2-(5-methyl-1H-imidazol-4-ylme...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1F Show InChI InChI=1S/C14H12FN3S/c1-9-12(17-8-16-9)6-14-18-13(7-19-14)10-4-2-3-5-11(10)15/h2-5,7-8H,6H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50108392 ((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1| Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Effective concentration required against L100I mutant HIV-1 reverse transcriptase (as per ref 8 in the article)				Bioorg Med Chem Lett 11: 2799-802 (2001) BindingDB Entry DOI: 10.7270/Q2J103P4
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A (Mus musculus (house mouse))	BDBM50108392 ((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1| Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description The binding affinity was measured for 5-hydroxytryptamine 3 receptor on NG 108-15 cell line of mouse neuroblastoma-glioma cells in presence of [3H]5 ...				J Med Chem 33: 3020-3 (1990) BindingDB Entry DOI: 10.7270/Q2VM4FGR
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A (Mus musculus (house mouse))	BDBM50014407 (2-(piperazin-1-yl)quinoline | 2-Piperazin-1-yl-qui...) Show SMILES C1CN(CCN1)c1ccc2ccccc2n1 Show InChI InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description The binding affinity was measured for 5-hydroxytryptamine 3 receptor on NG 108-15 cell line of mouse neuroblastoma-glioma cells in presence of [3H]5 ...				J Med Chem 33: 3020-3 (1990) BindingDB Entry DOI: 10.7270/Q2VM4FGR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50013043 (3-[2-(5-Methyl-1H-imidazol-4-ylmethyl)-thiazol-4-y...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C16H14N4S/c1-10-14(19-9-18-10)6-16-20-15(8-21-16)12-7-17-13-5-3-2-4-11(12)13/h2-5,7-9,17H,6H2,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Mus musculus (house mouse))	BDBM85330 (CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...) Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description The binding affinity was measured for 5-hydroxytryptamine 3 receptor on NG 108-15 cell line of mouse neuroblastoma-glioma cells in presence of [3H]5 ...				J Med Chem 33: 3020-3 (1990) BindingDB Entry DOI: 10.7270/Q2VM4FGR
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM85330 (CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...) Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank PDB PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Binding affinity towards L100I mutant HIV-1 reverse transcriptase (as per ref 10 in the article)				Bioorg Med Chem Lett 11: 2799-802 (2001) BindingDB Entry DOI: 10.7270/Q2J103P4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Effective concentration required against wild type HIV-1 reverse transcriptase (as per ref 6 in the article)				Bioorg Med Chem Lett 11: 2799-802 (2001) BindingDB Entry DOI: 10.7270/Q2J103P4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Plasmodium falciparum)	BDBM50399046 (CHEMBL2178862) Show SMILES COc1ccc(cc1)-c1cc(Oc2cc(C)cc(OC)c2)cc(C)n1 Show InChI InChI=1S/C21H21NO3/c1-14-9-18(24-4)12-19(10-14)25-20-11-15(2)22-21(13-20)16-5-7-17(23-3)8-6-16/h5-13H,1-4H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum MIF expressed in Escherichia coli BL21 (DE3) assessed as ketonization of enol form of 4-HPP substrate...				J Med Chem 55: 10148-59 (2012) Article DOI: 10.1021/jm301269s BindingDB Entry DOI: 10.7270/Q2FJ2HX7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50206083 (CHEMBL3927658 | US10968198, Example 43) Show SMILES OC(=O)CCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)c(F)c1 Show InChI InChI=1S/C21H17FN4O4/c22-16-11-14(4-8-20(16)27)26-12-19(24-25-26)18-6-3-13-10-15(5-7-17(13)23-18)30-9-1-2-21(28)29/h3-8,10-12,27H,1-2,9H2,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as decrease in formation of borate complex of enol pr...				ACS Med Chem Lett 8: 1287-1291 (2017) Article DOI: 10.1021/acsmedchemlett.7b00384 BindingDB Entry DOI: 10.7270/Q2GB26JT
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Plasmodium falciparum)	BDBM50399047 (CHEMBL2178856) Show SMILES Cc1cc(Oc2cccc(O)c2)cc(n1)-c1ccccc1 Show InChI InChI=1S/C18H15NO2/c1-13-10-17(21-16-9-5-8-15(20)11-16)12-18(19-13)14-6-3-2-4-7-14/h2-12,20H,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum MIF expressed in Escherichia coli BL21 (DE3) assessed as ketonization of enol form of 4-HPP substrate...				J Med Chem 55: 10148-59 (2012) Article DOI: 10.1021/jm301269s BindingDB Entry DOI: 10.7270/Q2FJ2HX7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Plasmodium falciparum)	BDBM50399054 (CHEMBL2178851) Show SMILES COc1cccc(Oc2cc(C)nc(c2)N2CCOCC2)c1 Show InChI InChI=1S/C17H20N2O3/c1-13-10-16(22-15-5-3-4-14(11-15)20-2)12-17(18-13)19-6-8-21-9-7-19/h3-5,10-12H,6-9H2,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum MIF expressed in Escherichia coli BL21 (DE3) assessed as ketonization of enol form of 4-HPP substrate...				J Med Chem 55: 10148-59 (2012) Article DOI: 10.1021/jm301269s BindingDB Entry DOI: 10.7270/Q2FJ2HX7
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50206084 (CHEMBL3899123) Show SMILES OC(=O)COc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)c(F)c1 Show InChI InChI=1S/C19H13FN4O4/c20-14-8-12(2-6-18(14)25)24-9-17(22-23-24)16-4-1-11-7-13(28-10-19(26)27)3-5-15(11)21-16/h1-9,25H,10H2,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as decrease in formation of borate complex of enol pr...				ACS Med Chem Lett 8: 1287-1291 (2017) Article DOI: 10.1021/acsmedchemlett.7b00384 BindingDB Entry DOI: 10.7270/Q2GB26JT
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50206030 (CHEMBL3957289 | US10336721, Example 22 | US1096819...) Show SMILES Oc1ccc(cc1F)-n1cc(nn1)-c1ccc2cc(OCCOCCN3CCOCC3)ccc2n1 Show InChI InChI=1S/C25H26FN5O4/c26-21-16-19(2-6-25(21)32)31-17-24(28-29-31)23-4-1-18-15-20(3-5-22(18)27-23)35-14-13-34-12-9-30-7-10-33-11-8-30/h1-6,15-17,32H,7-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as decrease in formation of borate complex of enol pr...				ACS Med Chem Lett 8: 1287-1291 (2017) Article DOI: 10.1021/acsmedchemlett.7b00384 BindingDB Entry DOI: 10.7270/Q2GB26JT
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50280114 (CHEMBL4160035) Show SMILES Cn1ccc2ccc(nc2c1=O)-c1cn(nn1)-c1ccc(O)c(F)c1 Show InChI InChI=1S/C17H12FN5O2/c1-22-7-6-10-2-4-13(19-16(10)17(22)25)14-9-23(21-20-14)11-3-5-15(24)12(18)8-11/h2-9,24H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as decrease in formation of borate complex of enol pr...				ACS Med Chem Lett 8: 1287-1291 (2017) Article DOI: 10.1021/acsmedchemlett.7b00384 BindingDB Entry DOI: 10.7270/Q2GB26JT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50280113 (CHEMBL4170679) Show SMILES OC(=O)Cn1ccc2ccc(nc2c1=O)-c1cn(nn1)-c1ccc(O)c(F)c1 Show InChI InChI=1S/C18H12FN5O4/c19-12-7-11(2-4-15(12)25)24-8-14(21-22-24)13-3-1-10-5-6-23(9-16(26)27)18(28)17(10)20-13/h1-8,25H,9H2,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as decrease in formation of borate complex of enol pr...				ACS Med Chem Lett 8: 1287-1291 (2017) Article DOI: 10.1021/acsmedchemlett.7b00384 BindingDB Entry DOI: 10.7270/Q2GB26JT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50206094 (CHEMBL3960793) Show SMILES OC(=O)C(F)(F)F.NCCOCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)c(F)c1 Show InChI InChI=1S/C21H20FN5O3/c22-17-12-15(2-6-21(17)28)27-13-20(25-26-27)19-4-1-14-11-16(3-5-18(14)24-19)30-10-9-29-8-7-23/h1-6,11-13,28H,7-10,23H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	144	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as decrease in formation of borate complex of enol pr...				ACS Med Chem Lett 8: 1287-1291 (2017) Article DOI: 10.1021/acsmedchemlett.7b00384 BindingDB Entry DOI: 10.7270/Q2GB26JT
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50167985 (CHEMBL3798384 | US10336721, Example 21 | US1096819...) Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1ccc2cc(OCCOCCN3CCOCC3)ccc2n1 Show InChI InChI=1S/C25H27N5O4/c31-21-4-2-20(3-5-21)30-18-25(27-28-30)24-7-1-19-17-22(6-8-23(19)26-24)34-16-15-33-14-11-29-9-12-32-13-10-29/h1-8,17-18,31H,9-16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as decrease in formation of borate complex of enol pr...				ACS Med Chem Lett 8: 1287-1291 (2017) Article DOI: 10.1021/acsmedchemlett.7b00384 BindingDB Entry DOI: 10.7270/Q2GB26JT
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50206085 (CHEMBL3924400) Show SMILES OC(=O)COc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)cc1 Show InChI InChI=1S/C19H14N4O4/c24-14-4-2-13(3-5-14)23-10-18(21-22-23)17-7-1-12-9-15(27-11-19(25)26)6-8-16(12)20-17/h1-10,24H,11H2,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as decrease in formation of borate complex of enol pr...				ACS Med Chem Lett 8: 1287-1291 (2017) Article DOI: 10.1021/acsmedchemlett.7b00384 BindingDB Entry DOI: 10.7270/Q2GB26JT
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50206061 (CHEMBL3953102 | US10336721, Example 1 | US10968198...) Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C17H12N4O/c22-14-8-6-13(7-9-14)21-11-17(19-20-21)16-10-5-12-3-1-2-4-15(12)18-16/h1-11,22H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as decrease in formation of borate complex of enol pr...				ACS Med Chem Lett 8: 1287-1291 (2017) Article DOI: 10.1021/acsmedchemlett.7b00384 BindingDB Entry DOI: 10.7270/Q2GB26JT
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A (Mus musculus (house mouse))	BDBM50222218 (CHEBI:51137 | Mianserin) Show SMILES CN1CCN2C(C1)c1ccccc1Cc1ccccc21 Show InChI InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	252	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description The binding affinity was measured for 5-hydroxytryptamine 3 receptor on NG 108-15 cell line of mouse neuroblastoma-glioma cells in presence of [3H]5 ...				J Med Chem 33: 3020-3 (1990) BindingDB Entry DOI: 10.7270/Q2VM4FGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50206087 (CHEMBL3897449) Show SMILES OC(=O)C(F)(F)F.NCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)cc1 Show InChI InChI=1S/C19H17N5O2/c20-9-10-26-16-6-8-17-13(11-16)1-7-18(21-17)19-12-24(23-22-19)14-2-4-15(25)5-3-14/h1-8,11-12,25H,9-10,20H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as decrease in formation of borate complex of enol pr...				ACS Med Chem Lett 8: 1287-1291 (2017) Article DOI: 10.1021/acsmedchemlett.7b00384 BindingDB Entry DOI: 10.7270/Q2GB26JT
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50206090 (CHEMBL3915405) Show SMILES OC(=O)C(F)(F)F.NCCOCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)cc1 Show InChI InChI=1S/C21H21N5O3/c22-9-10-28-11-12-29-18-6-8-19-15(13-18)1-7-20(23-19)21-14-26(25-24-21)16-2-4-17(27)5-3-16/h1-8,13-14,27H,9-12,22H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as decrease in formation of borate complex of enol pr...				ACS Med Chem Lett 8: 1287-1291 (2017) Article DOI: 10.1021/acsmedchemlett.7b00384 BindingDB Entry DOI: 10.7270/Q2GB26JT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Mus musculus (house mouse))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	361	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description The binding affinity was measured for 5-hydroxytryptamine 3 receptor on NG 108-15 cell line of mouse neuroblastoma-glioma cells in presence of [3H]5 ...				J Med Chem 33: 3020-3 (1990) BindingDB Entry DOI: 10.7270/Q2VM4FGR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50280115 (CHEMBL4169208) Show SMILES Cn1ccc2ccc(nc2c1=O)-c1cn(nn1)-c1ccc(O)cc1 Show InChI InChI=1S/C17H13N5O2/c1-21-9-8-11-2-7-14(18-16(11)17(21)24)15-10-22(20-19-15)12-3-5-13(23)6-4-12/h2-10,23H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	363	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as decrease in formation of borate complex of enol pr...				ACS Med Chem Lett 8: 1287-1291 (2017) Article DOI: 10.1021/acsmedchemlett.7b00384 BindingDB Entry DOI: 10.7270/Q2GB26JT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Plasmodium falciparum)	BDBM50399062 (CHEMBL2178843) Show SMILES Oc1cccc(c1)-c1ccc(Oc2cccc(c2)C#N)cn1 Show InChI InChI=1S/C18H12N2O2/c19-11-13-3-1-6-16(9-13)22-17-7-8-18(20-12-17)14-4-2-5-15(21)10-14/h1-10,12,21H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum MIF expressed in Escherichia coli BL21 (DE3) assessed as ketonization of enol form of 4-HPP substrate...				J Med Chem 55: 10148-59 (2012) Article DOI: 10.1021/jm301269s BindingDB Entry DOI: 10.7270/Q2FJ2HX7
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Plasmodium falciparum)	BDBM50399048 (CHEMBL2178861) Show SMILES COc1ccc(cc1)-c1cc(Oc2cc(C)cc(OC)c2)ccn1 Show InChI InChI=1S/C20H19NO3/c1-14-10-18(23-3)12-19(11-14)24-17-8-9-21-20(13-17)15-4-6-16(22-2)7-5-15/h4-13H,1-3H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum MIF expressed in Escherichia coli BL21 (DE3) assessed as ketonization of enol form of 4-HPP substrate...				J Med Chem 55: 10148-59 (2012) Article DOI: 10.1021/jm301269s BindingDB Entry DOI: 10.7270/Q2FJ2HX7
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50206093 (CHEMBL3925522) Show SMILES OCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)cc1 Show InChI InChI=1S/C19H16N4O3/c24-9-10-26-16-6-8-17-13(11-16)1-7-18(20-17)19-12-23(22-21-19)14-2-4-15(25)5-3-14/h1-8,11-12,24-25H,9-10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as decrease in formation of borate complex of enol pr...				ACS Med Chem Lett 8: 1287-1291 (2017) Article DOI: 10.1021/acsmedchemlett.7b00384 BindingDB Entry DOI: 10.7270/Q2GB26JT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1B receptor was determined by using [3H]5-HT as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1C receptor was determined by using [3H]- mesulergine as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Mus musculus (Mouse))	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for Dopamine receptor D1 was determined by using [3H]SCH-23390 as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for Dopamine receptor D2 was determined by using [3H]spiperone as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for Opioid receptor mu 1 was determined by using [3H]naloxone as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (BOVINE)	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 2 receptor was determined by using [3H]ketanserin as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for Muscarinic acetylcholine receptor was determined by using [3H]QNB as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Rattus norvegicus)	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for Alpha-2 adrenergic receptor was determined by using [3H]p-aminoclonidine as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Canis familiaris)	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for Beta adrenergic receptor was determined by using [3H]dihydroalprenolol as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for Sigma opioid receptor was determined by using [3H](+)-3-(3-hydroxyphenyl)N-1-propyl-piperdine((+)-3-PPP) as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465] (Rattus norvegicus (rat))	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for Alpha-1 adrenergic receptor was determined by using [3H]prazosin as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Mus musculus (Mouse))	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1A receptor was determined by using [3H]8-OH-DPAT as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50014154 (2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...) Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer central Research Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1D receptor was determined by using [3H]5-HT as radioligand				J Med Chem 33: 2715-20 (1990) BindingDB Entry DOI: 10.7270/Q2H995S5
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Plasmodium falciparum)	BDBM50399056 (CHEMBL2178849) Show SMILES COc1cc(C)cc(Oc2cc(C)nc(c2)N2CCOCC2)c1 Show InChI InChI=1S/C18H22N2O3/c1-13-8-15(21-3)11-16(9-13)23-17-10-14(2)19-18(12-17)20-4-6-22-7-5-20/h8-12H,4-7H2,1-3H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum MIF expressed in Escherichia coli BL21 (DE3) assessed as ketonization of enol form of 4-HPP substrate...				J Med Chem 55: 10148-59 (2012) Article DOI: 10.1021/jm301269s BindingDB Entry DOI: 10.7270/Q2FJ2HX7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Mus musculus (house mouse))	BDBM50014406 (2-Me 5-HT | 2-Methyl-5-hydroxytryptamine | 2-methy...) Show SMILES Cc1[nH]c2ccc(O)cc2c1CCN Show InChI InChI=1S/C11H14N2O/c1-7-9(4-5-12)10-6-8(14)2-3-11(10)13-7/h2-3,6,13-14H,4-5,12H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description The binding affinity was measured for 5-hydroxytryptamine 3 receptor on NG 108-15 cell line of mouse neuroblastoma-glioma cells in presence of [3H]5 ...				J Med Chem 33: 3020-3 (1990) BindingDB Entry DOI: 10.7270/Q2VM4FGR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Plasmodium falciparum)	BDBM50399051 (CHEMBL2178855) Show SMILES Cc1cc(Oc2cccc(c2)C#N)nc(n1)-c1ccccc1 Show InChI InChI=1S/C18H13N3O/c1-13-10-17(22-16-9-5-6-14(11-16)12-19)21-18(20-13)15-7-3-2-4-8-15/h2-11H,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum MIF expressed in Escherichia coli BL21 (DE3) assessed as ketonization of enol form of 4-HPP substrate...				J Med Chem 55: 10148-59 (2012) Article DOI: 10.1021/jm301269s BindingDB Entry DOI: 10.7270/Q2FJ2HX7
					More data for this Ligand-Target Pair

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