Compile Data Set for Download or QSAR

Found 45 hits with Last Name = 'meinguet' and Initial = 'c'   

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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50358044 (CHEMBL1917940) Show SMILES Cc1cc2C(=O)c3ccc(OCc4cccc(Cl)c4)cc3-c2nn1 Show InChI InChI=1S/C19H13ClN2O2/c1-11-7-17-18(22-21-11)16-9-14(5-6-15(16)19(17)23)24-10-12-3-2-4-13(20)8-12/h2-9H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Facult£s Universitaires Notre-Dame de Paix Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB expressed in baculovirus-infected BTI insect cells by Lineweaver-Burk plot analysis				Eur J Med Chem 46: 6104-11 (2011) Article DOI: 10.1016/j.ejmech.2011.09.042 BindingDB Entry DOI: 10.7270/Q2BC3ZXB
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50358044 (CHEMBL1917940) Show SMILES Cc1cc2C(=O)c3ccc(OCc4cccc(Cl)c4)cc3-c2nn1 Show InChI InChI=1S/C19H13ClN2O2/c1-11-7-17-18(22-21-11)16-9-14(5-6-15(16)19(17)23)24-10-12-3-2-4-13(20)8-12/h2-9H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia 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
Facult£s Universitaires Notre-Dame de Paix Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB expressed in baculovirus-infected BTI insect cells after 1 hr by Cheng-Prusoff equation analysis				Eur J Med Chem 46: 6104-11 (2011) Article DOI: 10.1016/j.ejmech.2011.09.042 BindingDB Entry DOI: 10.7270/Q2BC3ZXB
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM21975 ((4S)-16'-(2-aminoethyl)-9'-hydroxy-1,3,6',6'-tetra...) Show SMILES CN1C(=O)N(C)[C@@]2(Oc3c(O)cc4c(CC[N+]4(C)C)c3C3=C2C(=O)c2c(CCN)c[nH]c2C3=O)C1=O |r,c:22| Show InChI InChI=1S/C25H25N5O6/c1-28-23(34)25(29(2)24(28)35)18-17(21(33)19-15(20(18)32)11(5-7-26)10-27-19)16-12-6-8-30(3,4)13(12)9-14(31)22(16)36-25/h9-10H,5-8,26H2,1-4H3,(H-,27,31,32,33)/p+1/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of IDO1 (unknown origin)				Bioorg Med Chem Lett 23: 47-54 (2012) Article DOI: 10.1016/j.bmcl.2012.11.036 BindingDB Entry DOI: 10.7270/Q2JM2C03
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50121688 (3-Methyl-8-(4,4,4-trifluoro-butoxy)-indeno[1,2-c]p...) Show SMILES Cc1cc2C(=O)c3ccc(OCCCC(F)(F)F)cc3-c2nn1 Show InChI InChI=1S/C16H13F3N2O2/c1-9-7-13-14(21-20-9)12-8-10(3-4-11(12)15(13)22)23-6-2-5-16(17,18)19/h3-4,7-8H,2,5-6H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Facult£s Universitaires Notre-Dame de Paix Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB expressed in baculovirus-infected BTI insect cells after 1 hr by Cheng-Prusoff equation analysis				Eur J Med Chem 46: 6104-11 (2011) Article DOI: 10.1016/j.ejmech.2011.09.042 BindingDB Entry DOI: 10.7270/Q2BC3ZXB
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50358045 (CHEMBL1914652) Show SMILES Cc1cccc(COc2ccc3C(=O)c4cc(C)nnc4-c3c2)c1 Show InChI InChI=1S/C20H16N2O2/c1-12-4-3-5-14(8-12)11-24-15-6-7-16-17(10-15)19-18(20(16)23)9-13(2)21-22-19/h3-10H,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Facult£s Universitaires Notre-Dame de Paix Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB expressed in baculovirus-infected BTI insect cells after 1 hr by Cheng-Prusoff equation analysis				Eur J Med Chem 46: 6104-11 (2011) Article DOI: 10.1016/j.ejmech.2011.09.042 BindingDB Entry DOI: 10.7270/Q2BC3ZXB
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50428658 (MITOMYCIN | Mitomycin C | Mitosol | Mitozytrex | M...) Show SMILES CO[C@]12[C@H]3N[C@H]3CN1C1=C([C@H]2COC(N)=O)C(=O)C(N)=C(C)C1=O |r,c:10,t:22| Show InChI InChI=1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/t6-,7+,13+,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	Article PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Uncompetitive inhibition of hexahistidyl-tagged human IDO1				Bioorg Med Chem Lett 23: 47-54 (2012) Article DOI: 10.1016/j.bmcl.2012.11.036 BindingDB Entry DOI: 10.7270/Q2JM2C03
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM100152 (7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...) Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21 Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur (FUNDP) Curated by ChEMBL					Assay Description Inhibition of human DYRK1A kinase expressed in Escherichia coli cells				J Med Chem 55: 6489-501 (2012) Article DOI: 10.1021/jm300542e BindingDB Entry DOI: 10.7270/Q2GM88FB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50428674 (CHEMBL576950) Show SMILES COc1ccc(cc1)-c1c[nH]c2c1C1=NCCc3c[nH]c(c13)C2=O |t:15| Show InChI InChI=1S/C19H15N3O2/c1-24-12-4-2-10(3-5-12)13-9-22-18-15(13)16-14-11(6-7-20-16)8-21-17(14)19(18)23/h2-5,8-9,21-22H,6-7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 mins				Bioorg Med Chem Lett 23: 47-54 (2012) Article DOI: 10.1016/j.bmcl.2012.11.036 BindingDB Entry DOI: 10.7270/Q2JM2C03
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50428673 (CHEMBL574910) Show SMILES COc1ccc(cc1)C1CN=C2C1C(=O)c1ccn(c1C2=O)S(=O)(=O)c1ccc(C)cc1 |c:11| Show InChI InChI=1S/C24H20N2O5S/c1-14-3-9-17(10-4-14)32(29,30)26-12-11-18-22(26)24(28)21-20(23(18)27)19(13-25-21)15-5-7-16(31-2)8-6-15/h3-12,19-20H,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 mins				Bioorg Med Chem Lett 23: 47-54 (2012) Article DOI: 10.1016/j.bmcl.2012.11.036 BindingDB Entry DOI: 10.7270/Q2JM2C03
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50428672 (CHEMBL572914) Show SMILES COc1ccc(cc1)-c1c[nH]c2c1C1=NCCc3cn(c(c13)C2=O)S(=O)(=O)c1ccc(C)cc1 |t:15| Show InChI InChI=1S/C26H21N3O4S/c1-15-3-9-19(10-4-15)34(31,32)29-14-17-11-12-27-23-21(17)25(29)26(30)24-22(23)20(13-28-24)16-5-7-18(33-2)8-6-16/h3-10,13-14,28H,11-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 mins				Bioorg Med Chem Lett 23: 47-54 (2012) Article DOI: 10.1016/j.bmcl.2012.11.036 BindingDB Entry DOI: 10.7270/Q2JM2C03
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50428671 (CHEMBL574690) Show SMILES COc1ccc(cc1)C(=O)CNc1cc(O)c2ccn(c2c1O)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C24H22N2O6S/c1-15-3-9-18(10-4-15)33(30,31)26-12-11-19-21(27)13-20(24(29)23(19)26)25-14-22(28)16-5-7-17(32-2)8-6-16/h3-13,25,27,29H,14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 mins				Bioorg Med Chem Lett 23: 47-54 (2012) Article DOI: 10.1016/j.bmcl.2012.11.036 BindingDB Entry DOI: 10.7270/Q2JM2C03
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50268684 (CHEMBL1501761) Show SMILES Sc1nc(cs1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C9H6ClNS2/c10-7-3-1-6(2-4-7)8-5-13-9(12)11-8/h1-5H,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
NAMEDIC-NARILIS, University of Namur, 61 Rue de Bruxelles, 5000 Namur, Belgium; Laboratory of Organic Synthesis and Heterocyclic Chemistry, Department of Chemistry, College of Sciences at Tunis, El M Curated by ChEMBL					Assay Description Inhibition of human IDO1 pre-incubated for 10 mins before L-Trp as substrate addition and measured after 30 mins by colorimetry				Bioorg Med Chem Lett 27: 3607-3610 (2017) Article DOI: 10.1016/j.bmcl.2016.06.052 BindingDB Entry DOI: 10.7270/Q2F1925G
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50428670 (CHEMBL576757) Show SMILES COc1ccc(cc1)C1CN=C2C1C(=O)c1c(CCN)cn(c1C2=O)S(=O)(=O)c1ccc(C)cc1 |c:11| Show InChI InChI=1S/C26H25N3O5S/c1-15-3-9-19(10-4-15)35(32,33)29-14-17(11-12-27)21-24(29)26(31)23-22(25(21)30)20(13-28-23)16-5-7-18(34-2)8-6-16/h3-10,14,20,22H,11-13,27H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 mins				Bioorg Med Chem Lett 23: 47-54 (2012) Article DOI: 10.1016/j.bmcl.2012.11.036 BindingDB Entry DOI: 10.7270/Q2JM2C03
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50268684 (CHEMBL1501761) Show SMILES Sc1nc(cs1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C9H6ClNS2/c10-7-3-1-6(2-4-7)8-5-13-9(12)11-8/h1-5H,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
NAMEDIC-NARILIS, University of Namur, 61 Rue de Bruxelles, 5000 Namur, Belgium; Laboratory of Organic Synthesis and Heterocyclic Chemistry, Department of Chemistry, College of Sciences at Tunis, El M Curated by ChEMBL					Assay Description Inhibition of human IDO1 pre-incubated for 10 mins before L-Trp as substrate addition and measured after 30 mins by colorimetry				Bioorg Med Chem Lett 27: 3607-3610 (2017) Article DOI: 10.1016/j.bmcl.2016.06.052 BindingDB Entry DOI: 10.7270/Q2F1925G
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50268688 (CHEMBL4070094) Show SMILES Brc1ccc(cc1)-c1csc(=S)[nH]1 Show InChI InChI=1S/C9H6BrNS2/c10-7-3-1-6(2-4-7)8-5-13-9(12)11-8/h1-5H,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
NAMEDIC-NARILIS, University of Namur, 61 Rue de Bruxelles, 5000 Namur, Belgium; Laboratory of Organic Synthesis and Heterocyclic Chemistry, Department of Chemistry, College of Sciences at Tunis, El M Curated by ChEMBL					Assay Description Inhibition of human IDO1 pre-incubated for 10 mins before L-Trp as substrate addition and measured after 30 mins by colorimetry				Bioorg Med Chem Lett 27: 3607-3610 (2017) Article DOI: 10.1016/j.bmcl.2016.06.052 BindingDB Entry DOI: 10.7270/Q2F1925G
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50268688 (CHEMBL4070094) Show SMILES Brc1ccc(cc1)-c1csc(=S)[nH]1 Show InChI InChI=1S/C9H6BrNS2/c10-7-3-1-6(2-4-7)8-5-13-9(12)11-8/h1-5H,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
NAMEDIC-NARILIS, University of Namur, 61 Rue de Bruxelles, 5000 Namur, Belgium; Laboratory of Organic Synthesis and Heterocyclic Chemistry, Department of Chemistry, College of Sciences at Tunis, El M Curated by ChEMBL					Assay Description Inhibition of human IDO1 pre-incubated for 10 mins before L-Trp as substrate addition and measured after 30 mins by colorimetry				Bioorg Med Chem Lett 27: 3607-3610 (2017) Article DOI: 10.1016/j.bmcl.2016.06.052 BindingDB Entry DOI: 10.7270/Q2F1925G
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50428669 (CHEMBL575549) Show SMILES COc1ccc(cc1)-c1c[nH]c2c1C(=O)c1c3c(CCN=C23)cn1S(=O)(=O)c1ccc(C)cc1 |t:22| Show InChI InChI=1S/C26H21N3O4S/c1-15-3-9-19(10-4-15)34(31,32)29-14-17-11-12-27-23-21(17)25(29)26(30)22-20(13-28-24(22)23)16-5-7-18(33-2)8-6-16/h3-10,13-14,28H,11-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 mins				Bioorg Med Chem Lett 23: 47-54 (2012) Article DOI: 10.1016/j.bmcl.2012.11.036 BindingDB Entry DOI: 10.7270/Q2JM2C03
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50428668 (CHEMBL575780) Show SMILES COc1ccc(cc1)-c1c[nH]c2c1C(=O)c1c(CCN)cn(c1C2=O)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C26H23N3O5S/c1-15-3-9-19(10-4-15)35(32,33)29-14-17(11-12-27)21-24(29)26(31)23-22(25(21)30)20(13-28-23)16-5-7-18(34-2)8-6-16/h3-10,13-14,28H,11-12,27H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 mins				Bioorg Med Chem Lett 23: 47-54 (2012) Article DOI: 10.1016/j.bmcl.2012.11.036 BindingDB Entry DOI: 10.7270/Q2JM2C03
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50428667 (CHEMBL575331) Show SMILES COc1ccc(cc1)C1CN=C2C1C(=O)c1c(c(CCN)cn1S(=O)(=O)c1ccc(C)cc1)C2=O |c:11| Show InChI InChI=1S/C26H25N3O5S/c1-15-3-9-19(10-4-15)35(32,33)29-14-17(11-12-27)21-24(29)26(31)22-20(13-28-23(22)25(21)30)16-5-7-18(34-2)8-6-16/h3-10,14,20,22H,11-13,27H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 mins				Bioorg Med Chem Lett 23: 47-54 (2012) Article DOI: 10.1016/j.bmcl.2012.11.036 BindingDB Entry DOI: 10.7270/Q2JM2C03
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50428666 (CHEMBL574691) Show SMILES COc1ccc(cc1)C1CN=C2C1C(=O)c1c(ccn1S(=O)(=O)c1ccc(C)cc1)C2=O |c:11| Show InChI InChI=1S/C24H20N2O5S/c1-14-3-9-17(10-4-14)32(29,30)26-12-11-18-22(26)24(28)20-19(13-25-21(20)23(18)27)15-5-7-16(31-2)8-6-15/h3-12,19-20H,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 mins				Bioorg Med Chem Lett 23: 47-54 (2012) Article DOI: 10.1016/j.bmcl.2012.11.036 BindingDB Entry DOI: 10.7270/Q2JM2C03
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50268675 (CHEMBL1558960) Show SMILES Cc1ccc(cc1)-c1csc(S)n1 Show InChI InChI=1S/C10H9NS2/c1-7-2-4-8(5-3-7)9-6-13-10(12)11-9/h2-6H,1H3,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
NAMEDIC-NARILIS, University of Namur, 61 Rue de Bruxelles, 5000 Namur, Belgium; Laboratory of Organic Synthesis and Heterocyclic Chemistry, Department of Chemistry, College of Sciences at Tunis, El M Curated by ChEMBL					Assay Description Inhibition of human IDO1 pre-incubated for 10 mins before L-Trp as substrate addition and measured after 30 mins by colorimetry				Bioorg Med Chem Lett 27: 3607-3610 (2017) Article DOI: 10.1016/j.bmcl.2016.06.052 BindingDB Entry DOI: 10.7270/Q2F1925G
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50268675 (CHEMBL1558960) Show SMILES Cc1ccc(cc1)-c1csc(S)n1 Show InChI InChI=1S/C10H9NS2/c1-7-2-4-8(5-3-7)9-6-13-10(12)11-9/h2-6H,1H3,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
NAMEDIC-NARILIS, University of Namur, 61 Rue de Bruxelles, 5000 Namur, Belgium; Laboratory of Organic Synthesis and Heterocyclic Chemistry, Department of Chemistry, College of Sciences at Tunis, El M Curated by ChEMBL					Assay Description Inhibition of human IDO1 pre-incubated for 10 mins before L-Trp as substrate addition and measured after 30 mins by colorimetry				Bioorg Med Chem Lett 27: 3607-3610 (2017) Article DOI: 10.1016/j.bmcl.2016.06.052 BindingDB Entry DOI: 10.7270/Q2F1925G
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50428665 (CHEMBL573179) Show SMILES Oc1ccc(cc1)-c1c[nH]c2c1C(=O)c1[nH]cc3CCN=C2c13 |t:22| Show InChI InChI=1S/C18H13N3O2/c22-11-3-1-9(2-4-11)12-8-21-16-14(12)18(23)17-13-10(7-20-17)5-6-19-15(13)16/h1-4,7-8,20-22H,5-6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 mins				Bioorg Med Chem Lett 23: 47-54 (2012) Article DOI: 10.1016/j.bmcl.2012.11.036 BindingDB Entry DOI: 10.7270/Q2JM2C03
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50428664 (CHEMBL576344) Show SMILES COc1ccc(cc1)-c1c[nH]c2c1C(=O)c1[nH]cc3CCN=C2c13 |t:23| Show InChI InChI=1S/C19H15N3O2/c1-24-12-4-2-10(3-5-12)13-9-22-17-15(13)19(23)18-14-11(8-21-18)6-7-20-16(14)17/h2-5,8-9,21-22H,6-7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 mins				Bioorg Med Chem Lett 23: 47-54 (2012) Article DOI: 10.1016/j.bmcl.2012.11.036 BindingDB Entry DOI: 10.7270/Q2JM2C03
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50428663 (CHEMBL574896) Show SMILES COc1ccc(cc1)C(=O)CNc1cc(O)c2n(ccc2c1O)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C24H22N2O6S/c1-15-3-9-18(10-4-15)33(30,31)26-12-11-19-23(26)21(27)13-20(24(19)29)25-14-22(28)16-5-7-17(32-2)8-6-16/h3-13,25,27,29H,14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 mins				Bioorg Med Chem Lett 23: 47-54 (2012) Article DOI: 10.1016/j.bmcl.2012.11.036 BindingDB Entry DOI: 10.7270/Q2JM2C03
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50395379 (CHEMBL2164712 | US9168247, CV12) Show SMILES Cc1nccc2c3ccc(OCC4CCCCC4)cc3n(CC3CCCCC3)c12 Show InChI InChI=1S/C26H34N2O/c1-19-26-24(14-15-27-19)23-13-12-22(29-18-21-10-6-3-7-11-21)16-25(23)28(26)17-20-8-4-2-5-9-20/h12-16,20-21H,2-11,17-18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur (FUNDP) Curated by ChEMBL					Assay Description Inhibition of DYRK1A kinase using RBER-CHKtide substrate by radiometric protein kinase assay				J Med Chem 55: 6489-501 (2012) Article DOI: 10.1021/jm300542e BindingDB Entry DOI: 10.7270/Q2GM88FB
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50333423 (7-(Pyridin-3-ylmethoxy)-1-methyl-beta-carboline | ...) Show SMILES Cc1nccc2c3ccc(OCc4cccnc4)cc3[nH]c12 Show InChI InChI=1S/C18H15N3O/c1-12-18-16(6-8-20-12)15-5-4-14(9-17(15)21-18)22-11-13-3-2-7-19-10-13/h2-10,21H,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	7.5	n/a
FACULTES UNIVERSITAIRES NOTRE DAME DE LA PAIX; UNIVERSITE LIBRE BRUXELLES US Patent					Assay Description A radiometric protein kinase assay (33PanQinase Activity Assay) was used for measuring the kinase activity of DYRK1A protein kinase. All kinase assay...				US Patent US9168247 (2015) BindingDB Entry DOI: 10.7270/Q2X63KQN
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50333423 (7-(Pyridin-3-ylmethoxy)-1-methyl-beta-carboline | ...) Show SMILES Cc1nccc2c3ccc(OCc4cccnc4)cc3[nH]c12 Show InChI InChI=1S/C18H15N3O/c1-12-18-16(6-8-20-12)15-5-4-14(9-17(15)21-18)22-11-13-3-2-7-19-10-13/h2-10,21H,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur (FUNDP) Curated by ChEMBL					Assay Description Inhibition of DYRK1A kinase using RBER-CHKtide substrate by radiometric protein kinase assay				J Med Chem 55: 6489-501 (2012) Article DOI: 10.1021/jm300542e BindingDB Entry DOI: 10.7270/Q2GM88FB
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50395379 (CHEMBL2164712 | US9168247, CV12) Show SMILES Cc1nccc2c3ccc(OCC4CCCCC4)cc3n(CC3CCCCC3)c12 Show InChI InChI=1S/C26H34N2O/c1-19-26-24(14-15-27-19)23-13-12-22(29-18-21-10-6-3-7-11-21)16-25(23)28(26)17-20-8-4-2-5-9-20/h12-16,20-21H,2-11,17-18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	n/a
FACULTES UNIVERSITAIRES NOTRE DAME DE LA PAIX; UNIVERSITE LIBRE BRUXELLES US Patent					Assay Description A radiometric protein kinase assay (33PanQinase Activity Assay) was used for measuring the kinase activity of DYRK1A protein kinase. All kinase assay...				US Patent US9168247 (2015) BindingDB Entry DOI: 10.7270/Q2X63KQN
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50428662 (CHEMBL573014) Show SMILES COc1ccc(cc1)C(=O)CNc1cc(O)c2n(cc(CCNC(=O)OC(C)(C)C)c2c1O)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C31H35N3O8S/c1-19-6-12-23(13-7-19)43(39,40)34-18-21(14-15-32-30(38)42-31(2,3)4)27-28(34)25(35)16-24(29(27)37)33-17-26(36)20-8-10-22(41-5)11-9-20/h6-13,16,18,33,35,37H,14-15,17H2,1-5H3,(H,32,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 mins				Bioorg Med Chem Lett 23: 47-54 (2012) Article DOI: 10.1016/j.bmcl.2012.11.036 BindingDB Entry DOI: 10.7270/Q2JM2C03
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50428661 (CHEMBL575568) Show SMILES COc1ccc(cc1)-c1c[nH]c2c1C(=O)c1c(c(CCN)cn1S(=O)(=O)c1ccc(C)cc1)C2=O Show InChI InChI=1S/C26H23N3O5S/c1-15-3-9-19(10-4-15)35(32,33)29-14-17(11-12-27)21-24(29)26(31)22-20(13-28-23(22)25(21)30)16-5-7-18(34-2)8-6-16/h3-10,13-14,28H,11-12,27H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 mins				Bioorg Med Chem Lett 23: 47-54 (2012) Article DOI: 10.1016/j.bmcl.2012.11.036 BindingDB Entry DOI: 10.7270/Q2JM2C03
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50428660 (CHEMBL2332688) Show SMILES COc1ccc(cc1)-c1c[nH]c2c1C(=O)c1cc[nH]c1C2=O Show InChI InChI=1S/C17H12N2O3/c1-22-10-4-2-9(3-5-10)12-8-19-15-13(12)16(20)11-6-7-18-14(11)17(15)21/h2-8,18-19H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 mins				Bioorg Med Chem Lett 23: 47-54 (2012) Article DOI: 10.1016/j.bmcl.2012.11.036 BindingDB Entry DOI: 10.7270/Q2JM2C03
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50333416 (7-(2-Methoxyethoxy)-1-methyl-beta-carboline | CHEM...) Show SMILES COCCOc1ccc2c(c1)[nH]c1c(C)nccc21 Show InChI InChI=1S/C15H16N2O2/c1-10-15-13(5-6-16-10)12-4-3-11(9-14(12)17-15)19-8-7-18-2/h3-6,9,17H,7-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.55E+4	n/a	n/a	n/a	n/a	7.5	n/a
FACULTES UNIVERSITAIRES NOTRE DAME DE LA PAIX; UNIVERSITE LIBRE BRUXELLES US Patent					Assay Description A radiometric protein kinase assay (33PanQinase Activity Assay) was used for measuring the kinase activity of DYRK1A protein kinase. All kinase assay...				US Patent US9168247 (2015) BindingDB Entry DOI: 10.7270/Q2X63KQN
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50333416 (7-(2-Methoxyethoxy)-1-methyl-beta-carboline | CHEM...) Show SMILES COCCOc1ccc2c(c1)[nH]c1c(C)nccc21 Show InChI InChI=1S/C15H16N2O2/c1-10-15-13(5-6-16-10)12-4-3-11(9-14(12)17-15)19-8-7-18-2/h3-6,9,17H,7-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur (FUNDP) Curated by ChEMBL					Assay Description Inhibition of DYRK1A kinase using RBER-CHKtide substrate by radiometric protein kinase assay				J Med Chem 55: 6489-501 (2012) Article DOI: 10.1021/jm300542e BindingDB Entry DOI: 10.7270/Q2GM88FB
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50395380 (CHEMBL2164709 | US9168247, JR84) Show SMILES Cc1nccc2c3ccc(OCc4ccccc4)cc3n(Cc3ccccc3)c12 Show InChI InChI=1S/C26H22N2O/c1-19-26-24(14-15-27-19)23-13-12-22(29-18-21-10-6-3-7-11-21)16-25(23)28(26)17-20-8-4-2-5-9-20/h2-16H,17-18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur (FUNDP) Curated by ChEMBL					Assay Description Inhibition of DYRK1A kinase using RBER-CHKtide substrate by radiometric protein kinase assay				J Med Chem 55: 6489-501 (2012) Article DOI: 10.1021/jm300542e BindingDB Entry DOI: 10.7270/Q2GM88FB
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50395380 (CHEMBL2164709 | US9168247, JR84) Show SMILES Cc1nccc2c3ccc(OCc4ccccc4)cc3n(Cc3ccccc3)c12 Show InChI InChI=1S/C26H22N2O/c1-19-26-24(14-15-27-19)23-13-12-22(29-18-21-10-6-3-7-11-21)16-25(23)28(26)17-20-8-4-2-5-9-20/h2-16H,17-18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.63E+4	n/a	n/a	n/a	n/a	7.5	n/a
FACULTES UNIVERSITAIRES NOTRE DAME DE LA PAIX; UNIVERSITE LIBRE BRUXELLES US Patent					Assay Description A radiometric protein kinase assay (33PanQinase Activity Assay) was used for measuring the kinase activity of DYRK1A protein kinase. All kinase assay...				US Patent US9168247 (2015) BindingDB Entry DOI: 10.7270/Q2X63KQN
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50395381 (CHEMBL2164716 | US9168247, JR95) Show SMILES Cc1[n+](Cc2ccccc2)ccc2c1n(Cc1ccccc1)c1cc(OCc3ccccc3)ccc21 Show InChI InChI=1S/C33H29N2O/c1-25-33-31(19-20-34(25)22-26-11-5-2-6-12-26)30-18-17-29(36-24-28-15-9-4-10-16-28)21-32(30)35(33)23-27-13-7-3-8-14-27/h2-21H,22-24H2,1H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur (FUNDP) Curated by ChEMBL					Assay Description Inhibition of DYRK1A kinase using RBER-CHKtide substrate by radiometric protein kinase assay				J Med Chem 55: 6489-501 (2012) Article DOI: 10.1021/jm300542e BindingDB Entry DOI: 10.7270/Q2GM88FB
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50395381 (CHEMBL2164716 | US9168247, JR95) Show SMILES Cc1[n+](Cc2ccccc2)ccc2c1n(Cc1ccccc1)c1cc(OCc3ccccc3)ccc21 Show InChI InChI=1S/C33H29N2O/c1-25-33-31(19-20-34(25)22-26-11-5-2-6-12-26)30-18-17-29(36-24-28-15-9-4-10-16-28)21-32(30)35(33)23-27-13-7-3-8-14-27/h2-21H,22-24H2,1H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.12E+4	n/a	n/a	n/a	n/a	7.5	n/a
FACULTES UNIVERSITAIRES NOTRE DAME DE LA PAIX; UNIVERSITE LIBRE BRUXELLES US Patent					Assay Description A radiometric protein kinase assay (33PanQinase Activity Assay) was used for measuring the kinase activity of DYRK1A protein kinase. All kinase assay...				US Patent US9168247 (2015) BindingDB Entry DOI: 10.7270/Q2X63KQN
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50428659 (CHEMBL583951) Show SMILES COc1ccc(cc1)-c1c[nH]c2c1C(=O)c1[nH]ccc1C2=O Show InChI InChI=1S/C17H12N2O3/c1-22-10-4-2-9(3-5-10)12-8-19-15-13(12)17(21)14-11(16(15)20)6-7-18-14/h2-8,18-19H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 mins				Bioorg Med Chem Lett 23: 47-54 (2012) Article DOI: 10.1016/j.bmcl.2012.11.036 BindingDB Entry DOI: 10.7270/Q2JM2C03
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50303910 (4-phenylthiazole-2-thiol | CHEMBL571436) Show SMILES Sc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C9H7NS2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
NAMEDIC-NARILIS, University of Namur, 61 Rue de Bruxelles, 5000 Namur, Belgium; Laboratory of Organic Synthesis and Heterocyclic Chemistry, Department of Chemistry, College of Sciences at Tunis, El M Curated by ChEMBL					Assay Description Inhibition of human IDO1 pre-incubated for 10 mins before L-Trp as substrate addition and measured after 30 mins by colorimetry				Bioorg Med Chem Lett 27: 3607-3610 (2017) Article DOI: 10.1016/j.bmcl.2016.06.052 BindingDB Entry DOI: 10.7270/Q2F1925G
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50303910 (4-phenylthiazole-2-thiol | CHEMBL571436) Show SMILES Sc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C9H7NS2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
NAMEDIC-NARILIS, University of Namur, 61 Rue de Bruxelles, 5000 Namur, Belgium; Laboratory of Organic Synthesis and Heterocyclic Chemistry, Department of Chemistry, College of Sciences at Tunis, El M Curated by ChEMBL					Assay Description Inhibition of human IDO1 pre-incubated for 10 mins before L-Trp as substrate addition and measured after 30 mins by colorimetry				Bioorg Med Chem Lett 27: 3607-3610 (2017) Article DOI: 10.1016/j.bmcl.2016.06.052 BindingDB Entry DOI: 10.7270/Q2F1925G
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50428657 (CHEMBL573203) Show SMILES COc1ccc(cc1)C(=O)CNc1cc(O)c2c(CCNC(=O)OC(C)(C)C)cn(c2c1O)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C31H35N3O8S/c1-19-6-12-23(13-7-19)43(39,40)34-18-21(14-15-32-30(38)42-31(2,3)4)27-25(35)16-24(29(37)28(27)34)33-17-26(36)20-8-10-22(41-5)11-9-20/h6-13,16,18,33,35,37H,14-15,17H2,1-5H3,(H,32,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 mins				Bioorg Med Chem Lett 23: 47-54 (2012) Article DOI: 10.1016/j.bmcl.2012.11.036 BindingDB Entry DOI: 10.7270/Q2JM2C03
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Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50395378 (CHEMBL2164696 | US9168247, CV24) Show SMILES Cc1[n+](Cc2ccccc2)ccc2c1n(CC1CCCCC1)c1cc(OCC3CCCCC3)ccc21 Show InChI InChI=1S/C33H41N2O/c1-25-33-31(19-20-34(25)22-26-11-5-2-6-12-26)30-18-17-29(36-24-28-15-9-4-10-16-28)21-32(30)35(33)23-27-13-7-3-8-14-27/h2,5-6,11-12,17-21,27-28H,3-4,7-10,13-16,22-24H2,1H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	7.5	n/a
FACULTES UNIVERSITAIRES NOTRE DAME DE LA PAIX; UNIVERSITE LIBRE BRUXELLES US Patent					Assay Description A radiometric protein kinase assay (33PanQinase Activity Assay) was used for measuring the kinase activity of DYRK1A protein kinase. All kinase assay...				US Patent US9168247 (2015) BindingDB Entry DOI: 10.7270/Q2X63KQN
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50395378 (CHEMBL2164696 | US9168247, CV24) Show SMILES Cc1[n+](Cc2ccccc2)ccc2c1n(CC1CCCCC1)c1cc(OCC3CCCCC3)ccc21 Show InChI InChI=1S/C33H41N2O/c1-25-33-31(19-20-34(25)22-26-11-5-2-6-12-26)30-18-17-29(36-24-28-15-9-4-10-16-28)21-32(30)35(33)23-27-13-7-3-8-14-27/h2,5-6,11-12,17-21,27-28H,3-4,7-10,13-16,22-24H2,1H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur (FUNDP) Curated by ChEMBL					Assay Description Inhibition of DYRK1A kinase using RBER-CHKtide substrate by radiometric protein kinase assay				J Med Chem 55: 6489-501 (2012) Article DOI: 10.1021/jm300542e BindingDB Entry DOI: 10.7270/Q2GM88FB
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Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50241727 ((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...) Show SMILES Cn1cc(C[C@H](N)C(O)=O)c2ccccc12 |r| Show InChI InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.39E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 mins				Bioorg Med Chem Lett 23: 47-54 (2012) Article DOI: 10.1016/j.bmcl.2012.11.036 BindingDB Entry DOI: 10.7270/Q2JM2C03
					More data for this Ligand-Target Pair