Compile Data Set for Download or QSAR

Found 147 hits with Last Name = 'van merkerk' and Initial = 'r'   

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
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50206092 (CHEMBL3917143 | US10336721, Example 32 | US1096819...) Show SMILES OC(=O)c1cccc(Oc2cccc3nc(ccc23)-c2cn(nn2)-c2ccc(O)c(F)c2)c1 Show InChI InChI=1S/C24H15FN4O4/c25-18-12-15(7-10-22(18)30)29-13-21(27-28-29)20-9-8-17-19(26-20)5-2-6-23(17)33-16-4-1-3-14(11-16)24(31)32/h1-13,30H,(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli using 4-hydroxyphenyl pyruvic acid as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111849 BindingDB Entry DOI: 10.7270/Q20C50GK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50553887 (CHEMBL4779696) Show SMILES OC(=O)c1ccc(cc1)-c1ccc(cc1)-c1cc2ccc(O)cc2oc1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01160 BindingDB Entry DOI: 10.7270/Q2KW5KPR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50553872 (CHEMBL4794376) Show SMILES COc1ccc(cc1OC)N1Cc2ccc(O)cc2OC1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01160 BindingDB Entry DOI: 10.7270/Q2KW5KPR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50553880 (CHEMBL4761710) Show SMILES Oc1ccc2cc(-c3ccc(Br)cc3)c(=O)oc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01160 BindingDB Entry DOI: 10.7270/Q2KW5KPR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50553871 (CHEMBL1392132) Show SMILES COc1ccc(cc1)-c1cc2ccc(O)cc2oc1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01160 BindingDB Entry DOI: 10.7270/Q2KW5KPR
					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	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF tautomerase activity expressed in Escherichia coli BL21 using 4-hydroxyphenyl pyruvic acid ...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111849 BindingDB Entry DOI: 10.7270/Q20C50GK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50553883 (CHEMBL4791357) Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1cc2ccccc2cn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01160 BindingDB Entry DOI: 10.7270/Q2KW5KPR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50553874 (CHEMBL4797003) Show SMILES Cc1ccc(cc1)-c1cc2ccc(O)cc2oc1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01160 BindingDB Entry DOI: 10.7270/Q2KW5KPR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50553881 (CHEMBL4739944) Show SMILES Oc1ccc2cc(-c3ccc(I)cc3)c(=O)oc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01160 BindingDB Entry DOI: 10.7270/Q2KW5KPR
					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	590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli using 4-hydroxyphenyl pyruvic acid as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111849 BindingDB Entry DOI: 10.7270/Q20C50GK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50553873 (CHEMBL3739747) Show SMILES Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01160 BindingDB Entry DOI: 10.7270/Q2KW5KPR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50553886 (CHEMBL4741927) Show SMILES Oc1ccc(cc1F)-n1cc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)nn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01160 BindingDB Entry DOI: 10.7270/Q2KW5KPR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50553886 (CHEMBL4741927) Show SMILES Oc1ccc(cc1F)-n1cc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)nn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF tautomerase activity expressed in Escherichia coli BL21 using 4-hydroxyphenyl pyruvic acid ...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111849 BindingDB Entry DOI: 10.7270/Q20C50GK
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50096003 (7-Hydroxy-3-phenyl-chromen-2-one | 7-hydroxy-3-phe...) Show SMILES Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1 Show InChI InChI=1S/C15H10O3/c16-12-7-6-11-8-13(10-4-2-1-3-5-10)15(17)18-14(11)9-12/h1-9,16H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01160 BindingDB Entry DOI: 10.7270/Q2KW5KPR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50553876 (CHEMBL4800460) Show SMILES COc1cccc(c1)-c1cc2ccc(O)cc2oc1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01160 BindingDB Entry DOI: 10.7270/Q2KW5KPR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50553878 (CHEMBL4760818) Show SMILES Oc1ccc2cc(-c3cccc(Cl)c3)c(=O)oc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01160 BindingDB Entry DOI: 10.7270/Q2KW5KPR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50553875 (CHEMBL4798868) Show SMILES Oc1ccc2cc(-c3ccc4ccccc4c3)c(=O)oc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01160 BindingDB Entry DOI: 10.7270/Q2KW5KPR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM51568 (3-(4-fluorophenyl)-7-hydroxy-1-benzopyran-2-one | ...) Show SMILES Oc1ccc2cc(-c3ccc(F)cc3)c(=O)oc2c1 Show InChI InChI=1S/C15H9FO3/c16-11-4-1-9(2-5-11)13-7-10-3-6-12(17)8-14(10)19-15(13)18/h1-8,17H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	1.69E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01160 BindingDB Entry DOI: 10.7270/Q2KW5KPR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50553877 (CHEMBL1801021) Show SMILES COc1ccccc1-c1cc2ccc(O)cc2oc1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01160 BindingDB Entry DOI: 10.7270/Q2KW5KPR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50553882 (CHEMBL4751935) Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1ccccn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF tautomerase activity expressed in Escherichia coli BL21 using 4-hydroxyphenyl pyruvic acid ...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111849 BindingDB Entry DOI: 10.7270/Q20C50GK
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50553885 (CHEMBL4745151) Show SMILES Oc1ccc(cc1F)-n1cc(CNC(=O)c2cc3ccccc3[nH]2)nn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF tautomerase activity expressed in Escherichia coli BL21 using 4-hydroxyphenyl pyruvic acid ...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111849 BindingDB Entry DOI: 10.7270/Q20C50GK
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50553885 (CHEMBL4745151) Show SMILES Oc1ccc(cc1F)-n1cc(CNC(=O)c2cc3ccccc3[nH]2)nn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01160 BindingDB Entry DOI: 10.7270/Q2KW5KPR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50240520 ((isothiocyanatomethyl)benzene | BITC, 17 | Benzyls...) Show SMILES S=C=NCc1ccccc1 Show InChI InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01160 BindingDB Entry DOI: 10.7270/Q2KW5KPR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50553882 (CHEMBL4751935) Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1ccccn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF tautomerase activity expressed in Escherichia coli BL21 using 4-hydroxyphenyl pyruvic acid ...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111849 BindingDB Entry DOI: 10.7270/Q20C50GK
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50553882 (CHEMBL4751935) Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1ccccn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01160 BindingDB Entry DOI: 10.7270/Q2KW5KPR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50558978 (CHEMBL4749241) Show SMILES Oc1ccc(cc1)-n1cc(CCCCC#C)nn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF tautomerase activity expressed in Escherichia coli BL21 using 4-hydroxyphenyl pyruvic acid ...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111849 BindingDB Entry DOI: 10.7270/Q20C50GK
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50558969 (CHEMBL4763772) Show SMILES Oc1ccc(cc1)-n1cc(CNC(=O)c2cc3ccccc3[nH]2)nn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF tautomerase activity expressed in Escherichia coli BL21 using 4-hydroxyphenyl pyruvic acid ...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111849 BindingDB Entry DOI: 10.7270/Q20C50GK
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50558980 (CHEMBL4754122) Show SMILES CCCCCc1cn(nn1)-c1ccc(O)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF tautomerase activity expressed in Escherichia coli BL21 using 4-hydroxyphenyl pyruvic acid ...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111849 BindingDB Entry DOI: 10.7270/Q20C50GK
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50553884 (CHEMBL4787577) Show SMILES COc1ccc(cc1)C(=O)N\N=C\c1ccc(O)c(F)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01160 BindingDB Entry DOI: 10.7270/Q2KW5KPR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50553882 (CHEMBL4751935) Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1ccccn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli using 4-hydroxyphenyl pyruvic acid as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111849 BindingDB Entry DOI: 10.7270/Q20C50GK
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50095995 (7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL E...) Show SMILES CCOC(=O)c1cc2ccc(O)cc2oc1=O Show InChI InChI=1S/C12H10O5/c1-2-16-11(14)9-5-7-3-4-8(13)6-10(7)17-12(9)15/h3-6,13H,2H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01160 BindingDB Entry DOI: 10.7270/Q2KW5KPR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50553879 (CHEMBL4776234) Show SMILES Oc1ccc2cc(-c3ccccc3Cl)c(=O)oc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.27E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01160 BindingDB Entry DOI: 10.7270/Q2KW5KPR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50558979 (CHEMBL4755471) Show SMILES Oc1ccc(cc1)-n1cc(nn1)C1CCCCC1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF tautomerase activity expressed in Escherichia coli BL21 using 4-hydroxyphenyl pyruvic acid ...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111849 BindingDB Entry DOI: 10.7270/Q20C50GK
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50558971 (CHEMBL4800056) Show SMILES Cc1ccc(s1)C(=O)NCc1cn(nn1)-c1ccc(O)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF tautomerase activity expressed in Escherichia coli BL21 using 4-hydroxyphenyl pyruvic acid ...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111849 BindingDB Entry DOI: 10.7270/Q20C50GK
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50558975 (CHEMBL4782511) Show SMILES Oc1ccc(cc1)-n1cc(CNC(=O)c2ccccc2)nn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF tautomerase activity expressed in Escherichia coli BL21 using 4-hydroxyphenyl pyruvic acid ...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111849 BindingDB Entry DOI: 10.7270/Q20C50GK
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50558977 (CHEMBL4752116) Show SMILES COC(=O)CCCc1cn(nn1)-c1ccc(O)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF tautomerase activity expressed in Escherichia coli BL21 using 4-hydroxyphenyl pyruvic acid ...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111849 BindingDB Entry DOI: 10.7270/Q20C50GK
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50558972 (CHEMBL4756250) Show SMILES Oc1ccc(cc1)-n1cc(CNC(=O)c2ccc(Br)o2)nn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF tautomerase activity expressed in Escherichia coli BL21 using 4-hydroxyphenyl pyruvic acid ...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111849 BindingDB Entry DOI: 10.7270/Q20C50GK
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50558974 (CHEMBL4756731) Show SMILES Oc1ccc(cc1)-n1cc(CNC(=O)c2cccs2)nn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF tautomerase activity expressed in Escherichia coli BL21 using 4-hydroxyphenyl pyruvic acid ...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111849 BindingDB Entry DOI: 10.7270/Q20C50GK
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50558973 (CHEMBL4742375) Show SMILES Oc1ccc(cc1)-n1cc(CNC(=O)c2ccc[nH]2)nn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF tautomerase activity expressed in Escherichia coli BL21 using 4-hydroxyphenyl pyruvic acid ...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111849 BindingDB Entry DOI: 10.7270/Q20C50GK
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50558976 (CHEMBL4795431) Show SMILES Oc1ccc(cc1)-n1cc(CCC(=O)Nc2ccccc2)nn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF tautomerase activity expressed in Escherichia coli BL21 using 4-hydroxyphenyl pyruvic acid ...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111849 BindingDB Entry DOI: 10.7270/Q20C50GK
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50558970 (CHEMBL4743992) Show SMILES Oc1ccc(cc1)-n1cc(CNC(=O)c2ccc(F)cc2)nn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF tautomerase activity expressed in Escherichia coli BL21 using 4-hydroxyphenyl pyruvic acid ...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111849 BindingDB Entry DOI: 10.7270/Q20C50GK
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50558968 (CHEMBL4745143) Show SMILES Oc1ccc(cc1)-n1cc(CNC(=O)Cc2cc3ccccc3[nH]2)nn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF tautomerase activity expressed in Escherichia coli BL21 using 4-hydroxyphenyl pyruvic acid ...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111849 BindingDB Entry DOI: 10.7270/Q20C50GK
					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	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF tautomerase activity expressed in Escherichia coli BL21 using 4-hydroxyphenyl pyruvic acid ...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111849 BindingDB Entry DOI: 10.7270/Q20C50GK
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged recombinant human MIF expressed in Escherichia coli BL21 (DE3) using 4-HPP as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01160 BindingDB Entry DOI: 10.7270/Q2KW5KPR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM50521602 (CHEMBL4580232) Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1\C=C\C(=O)NCCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H19Cl3N2O3/c1-2-30-22(29)21-17(16-6-5-15(24)12-19(16)27-21)7-8-20(28)26-10-9-13-3-4-14(23)11-18(13)25/h3-8,11-12,27H,2,9-10H2,1H3,(H,26,28)/b8-7+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged 15-LOX1 expressed in Escherichia coli BL21(DE3) using linoleic acid as substrate preincubated ...				J Med Chem 62: 4624-4637 (2019) Article DOI: 10.1021/acs.jmedchem.9b00212 BindingDB Entry DOI: 10.7270/Q2Z3231S
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19410 (CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal His/FLAG-tagged HDAC1 using Boc-Lys-(epsilon-Ac)-AMC as fluorogenic substrate incubated for 90 mins by flu...				Eur J Med Chem 177: 457-466 (2019) Article DOI: 10.1016/j.ejmech.2019.05.038 BindingDB Entry DOI: 10.7270/Q2WS8XJ0
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM50521624 (CHEMBL4560124) Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1\C=C\C(=O)NCc1ccccc1OC Show InChI InChI=1S/C22H21ClN2O4/c1-3-29-22(27)21-17(16-9-8-15(23)12-18(16)25-21)10-11-20(26)24-13-14-6-4-5-7-19(14)28-2/h4-12,25H,3,13H2,1-2H3,(H,24,26)/b11-10+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged 15-LOX1 expressed in Escherichia coli BL21(DE3) using linoleic acid as substrate preincubated ...				J Med Chem 62: 4624-4637 (2019) Article DOI: 10.1021/acs.jmedchem.9b00212 BindingDB Entry DOI: 10.7270/Q2Z3231S
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50254780 (CHEMBL4078477 | US10301323, Compound D2 | US990889...) Show SMILES Nc1cc(F)ccc1NC(=O)\C=C\c1cnn(C\C=C\c2ccccc2)c1 Show InChI InChI=1S/C21H19FN4O/c22-18-9-10-20(19(23)13-18)25-21(27)11-8-17-14-24-26(15-17)12-4-7-16-5-2-1-3-6-16/h1-11,13-15H,12,23H2,(H,25,27)/b7-4+,11-8+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal His-tagged HDAC3/NCOR2 using Boc-Lys-(epsilon-Ac)-AMC as fluorogenic substrate incubated for 90 mins by fl...				Eur J Med Chem 177: 457-466 (2019) Article DOI: 10.1016/j.ejmech.2019.05.038 BindingDB Entry DOI: 10.7270/Q2WS8XJ0
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM50521612 (CHEMBL4574657) Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1\C=C\C(=O)NCCc1ccccc1OC Show InChI InChI=1S/C23H23ClN2O4/c1-3-30-23(28)22-18(17-9-8-16(24)14-19(17)26-22)10-11-21(27)25-13-12-15-6-4-5-7-20(15)29-2/h4-11,14,26H,3,12-13H2,1-2H3,(H,25,27)/b11-10+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged 15-LOX1 expressed in Escherichia coli BL21(DE3) using linoleic acid as substrate preincubated ...				J Med Chem 62: 4624-4637 (2019) Article DOI: 10.1021/acs.jmedchem.9b00212 BindingDB Entry DOI: 10.7270/Q2Z3231S
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM50521614 (CHEMBL4547876) Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1\C=C\C(=O)NCc1cccc(OC)c1 Show InChI InChI=1S/C22H21ClN2O4/c1-3-29-22(27)21-18(17-8-7-15(23)12-19(17)25-21)9-10-20(26)24-13-14-5-4-6-16(11-14)28-2/h4-12,25H,3,13H2,1-2H3,(H,24,26)/b10-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged 15-LOX1 expressed in Escherichia coli BL21(DE3) using linoleic acid as substrate preincubated ...				J Med Chem 62: 4624-4637 (2019) Article DOI: 10.1021/acs.jmedchem.9b00212 BindingDB Entry DOI: 10.7270/Q2Z3231S
					More data for this Ligand-Target Pair

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