Compile Data Set for Download or QSAR

Found 103 hits with Last Name = 'chang' and Initial = 'hh'   

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
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50584094 (CHEMBL5077002) Show SMILES O\N=C(/Nc1cccc(Br)c1)c1cc(CNC(=O)Nc2ccc(Cl)cc2)cs1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate by methylene blue reagent base...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of COX2 by fluorescence assay				Bioorg Med Chem Lett 22: 3567-70 (2012) Article DOI: 10.1016/j.bmcl.2012.03.013 BindingDB Entry DOI: 10.7270/Q2RB75MP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50584075 (CHEMBL5076745) Show SMILES O\N=C(/Nc1cccc(Br)c1)c1ccc(Cl)s1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate by methylene blue reagent base...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50584093 (CHEMBL5087302) Show SMILES O\N=C(/Nc1cccc(Br)c1)c1cc(CNC(=O)Nc2ccc(F)cc2)cs1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate by methylene blue reagent base...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50584087 (CHEMBL5093619) Show SMILES O\N=C(/Nc1cccc(Br)c1)c1cc(CNC(=O)Nc2ccc(cc2)C#N)cs1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate by methylene blue reagent base...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50584085 (CHEMBL5074542) Show SMILES O\N=C(/Nc1cccc(Br)c1)c1ccc(CNC(=O)Nc2ccc(cc2)C#N)s1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate by methylene blue reagent base...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50584073 (CHEMBL5081219) Show SMILES O\N=C(/Nc1ccc(F)c(Cl)c1)c1cnc(Cl)s1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate by methylene blue reagent base...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50584074 (CHEMBL5075428) Show SMILES O\N=C(/Nc1ccc(F)c(Cl)c1)c1ccc(Cl)s1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate by methylene blue reagent base...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50584076 (CHEMBL5083059) Show SMILES Cc1ccc(s1)C(\Nc1cccc(Br)c1)=N\O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate by methylene blue reagent base...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50584086 (CHEMBL5094947) Show SMILES O\N=C(/Nc1cccc(Br)c1)c1ccc(CNC(=O)Nc2ccc(cc2)C(F)(F)F)s1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate by methylene blue reagent base...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50584084 (CHEMBL5080101) Show SMILES O\N=C(/Nc1cccc(Br)c1)c1ccc(CNC(=O)Nc2ccc(F)cc2)s1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate by methylene blue reagent base...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50584077 (CHEMBL5091205) Show SMILES O\N=C(/Nc1cccc(Br)c1)c1ccc(CNC(=O)Nc2ccc(Cl)cc2)s1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate by methylene blue reagent base...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50584090 (CHEMBL5094353) Show SMILES O\N=C(/Nc1cccc(Br)c1)c1cc(CNC(=O)Nc2cccc(F)c2)cs1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate by methylene blue reagent base...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50584080 (CHEMBL5078610) Show SMILES O\N=C(/Nc1cccc(Br)c1)c1ccc(CNC(=O)Nc2cccc(F)c2)s1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate by methylene blue reagent base...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50584078 (CHEMBL5093621) Show SMILES O\N=C(/Nc1cccc(Br)c1)c1ccc(CNC(=O)Nc2cccc(Cl)c2)s1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate by methylene blue reagent base...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50584081 (CHEMBL5070676) Show SMILES Cc1cccc(NC(=O)NCc2ccc(s2)C(\Nc2cccc(Br)c2)=N\O)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate by methylene blue reagent base...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50584089 (CHEMBL5078852) Show SMILES O\N=C(/Nc1cccc(Br)c1)c1cc(CNC(=O)Nc2cccc(c2)C#N)cs1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate by methylene blue reagent base...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50584079 (CHEMBL5080294) Show SMILES O\N=C(/Nc1cccc(Br)c1)c1ccc(CNC(=O)Nc2cccc(c2)C#N)s1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	138	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate by methylene blue reagent base...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50584082 (CHEMBL5094486) Show SMILES O\N=C(/Nc1cccc(Br)c1)c1ccc(CNC(=O)Nc2ccccc2F)s1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate by methylene blue reagent base...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50584091 (CHEMBL5087813) Show SMILES O\N=C(/Nc1cccc(Br)c1)c1cc(CNC(=O)Nc2cccc(Cl)c2)cs1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	159	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate by methylene blue reagent base...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50584088 (CHEMBL5082408) Show SMILES O\N=C(/Nc1cccc(Br)c1)c1cc(CNC(=O)Nc2ccc(cc2)C(F)(F)F)cs1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	162	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate by methylene blue reagent base...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50584072 (CHEMBL5071322) Show SMILES O\N=C(/Nc1cccc(Br)c1)c1ccc(Cl)nc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	172	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate by methylene blue reagent base...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50584092 (CHEMBL5089919) Show SMILES O\N=C(/Nc1cccc(Br)c1)c1cc(CNC(=O)Nc2cccc(c2)C(F)(F)F)cs1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate by methylene blue reagent base...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50580117 (CHEMBL5076176) Show SMILES Cn1c(Nc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)nc2n(C)c(=O)n(Cc3cc4c(Cl)cccc4[nH]3)c(=O)c12 |r| Show InChI	PDB UniProtKB/SwissProt 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
TBA					Assay Description Inhibition of C-terminal His-tagged human MTHFD2 (36 to 350 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00663 BindingDB Entry DOI: 10.7270/Q2B56PKM
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50584083 (CHEMBL5078069) Show SMILES Cc1ccccc1NC(=O)NCc1ccc(s1)C(\Nc1cccc(Br)c1)=N\O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate by methylene blue reagent base...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50382181 (CHEMBL1894768 | cid_684847) Show SMILES C1Oc2ccc(Nc3nc(cs3)-c3ccccc3)cc2O1 Show InChI InChI=1S/C16H12N2O2S/c1-2-4-11(5-3-1)13-9-21-16(18-13)17-12-6-7-14-15(8-12)20-10-19-14/h1-9H,10H2,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of COX2 by fluorescence assay				Bioorg Med Chem Lett 22: 3567-70 (2012) Article DOI: 10.1016/j.bmcl.2012.03.013 BindingDB Entry DOI: 10.7270/Q2RB75MP
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50580113 (CHEMBL5090659) Show SMILES Cc1cc(Nc2nc3n(C)c(=O)n(Cc4cc5c(Cl)cccc5[nH]4)c(=O)c3n2C)nc(CCC(O)=O)n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged human MTHFD2 (36 to 350 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00663 BindingDB Entry DOI: 10.7270/Q2B56PKM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50584071 (CHEMBL5074528) Show SMILES O\N=C(/Nc1ccc(F)c(Br)c1)c1ccc(Cl)nc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	742	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate by methylene blue reagent base...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50580121 (CHEMBL5085594) Show SMILES Cn1c(NC(=O)Nc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged human MTHFD2 (36 to 350 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00663 BindingDB Entry DOI: 10.7270/Q2B56PKM
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50580116 (CHEMBL5093943) Show SMILES Cn1c(Nc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)nc2n(C)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)c12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged human MTHFD2 (36 to 350 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00663 BindingDB Entry DOI: 10.7270/Q2B56PKM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50382182 (CHEMBL2023858) Show SMILES COc1ccc(cc1)-c1csc(Nc2ccc(C)cc2)n1 Show InChI InChI=1S/C17H16N2OS/c1-12-3-7-14(8-4-12)18-17-19-16(11-21-17)13-5-9-15(20-2)10-6-13/h3-11H,1-2H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of COX2 by fluorescence assay				Bioorg Med Chem Lett 22: 3567-70 (2012) Article DOI: 10.1016/j.bmcl.2012.03.013 BindingDB Entry DOI: 10.7270/Q2RB75MP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50382192 (CHEMBL2023847) Show SMILES Clc1ccc(cc1)-c1csc(Nc2ccc3OCOc3c2)n1 Show InChI InChI=1S/C16H11ClN2O2S/c17-11-3-1-10(2-4-11)13-8-22-16(19-13)18-12-5-6-14-15(7-12)21-9-20-14/h1-8H,9H2,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of COX2 by fluorescence assay				Bioorg Med Chem Lett 22: 3567-70 (2012) Article DOI: 10.1016/j.bmcl.2012.03.013 BindingDB Entry DOI: 10.7270/Q2RB75MP
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50584069 (CHEMBL5074663) Show SMILES O\N=C(/Nc1ccc(F)c(Cl)c1)c1ccc(Cl)nc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate by methylene blue reagent base...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50382177 (CHEMBL2023862) Show SMILES COc1ccc(cc1)-c1csc(Nc2ccc3OCOc3c2)n1 Show InChI InChI=1S/C17H14N2O3S/c1-20-13-5-2-11(3-6-13)14-9-23-17(19-14)18-12-4-7-15-16(8-12)22-10-21-15/h2-9H,10H2,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of COX2 by fluorescence assay				Bioorg Med Chem Lett 22: 3567-70 (2012) Article DOI: 10.1016/j.bmcl.2012.03.013 BindingDB Entry DOI: 10.7270/Q2RB75MP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50382180 (CHEMBL2023859) Show SMILES Clc1ccccc1-c1csc(Nc2ccc3OCOc3c2)n1 Show InChI InChI=1S/C16H11ClN2O2S/c17-12-4-2-1-3-11(12)13-8-22-16(19-13)18-10-5-6-14-15(7-10)21-9-20-14/h1-8H,9H2,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of COX2 by fluorescence assay				Bioorg Med Chem Lett 22: 3567-70 (2012) Article DOI: 10.1016/j.bmcl.2012.03.013 BindingDB Entry DOI: 10.7270/Q2RB75MP
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50580115 (CHEMBL5084848) Show SMILES Cn1c(Nc2ccc(cc2)C(=O)N[C@@H](CC(O)=O)C(O)=O)nc2n(C)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)c12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged human MTHFD2 (36 to 350 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00663 BindingDB Entry DOI: 10.7270/Q2B56PKM
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50382178 (CHEMBL2023861) Show SMILES COc1cccc(c1)-c1csc(Nc2ccc3OCOc3c2)n1 Show InChI InChI=1S/C17H14N2O3S/c1-20-13-4-2-3-11(7-13)14-9-23-17(19-14)18-12-5-6-15-16(8-12)22-10-21-15/h2-9H,10H2,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of COX2 by fluorescence assay				Bioorg Med Chem Lett 22: 3567-70 (2012) Article DOI: 10.1016/j.bmcl.2012.03.013 BindingDB Entry DOI: 10.7270/Q2RB75MP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50382179 (CHEMBL2023860) Show SMILES COc1ccccc1-c1csc(Nc2ccc3OCOc3c2)n1 Show InChI InChI=1S/C17H14N2O3S/c1-20-14-5-3-2-4-12(14)13-9-23-17(19-13)18-11-6-7-15-16(8-11)22-10-21-15/h2-9H,10H2,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of COX2 by fluorescence assay				Bioorg Med Chem Lett 22: 3567-70 (2012) Article DOI: 10.1016/j.bmcl.2012.03.013 BindingDB Entry DOI: 10.7270/Q2RB75MP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50382190 (CHEMBL2023850) Show SMILES CN(c1nc(cs1)-c1ccc(Cl)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C16H13ClN2OS/c1-19(13-6-8-14(20)9-7-13)16-18-15(10-21-16)11-2-4-12(17)5-3-11/h2-10,20H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of COX2 by fluorescence assay				Bioorg Med Chem Lett 22: 3567-70 (2012) Article DOI: 10.1016/j.bmcl.2012.03.013 BindingDB Entry DOI: 10.7270/Q2RB75MP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50382184 (CHEMBL2023857) Show SMILES COc1ccc(Nc2nc(cs2)-c2ccc(C)c(C)c2)cc1 Show InChI InChI=1S/C18H18N2OS/c1-12-4-5-14(10-13(12)2)17-11-22-18(20-17)19-15-6-8-16(21-3)9-7-15/h4-11H,1-3H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of COX2 by fluorescence assay				Bioorg Med Chem Lett 22: 3567-70 (2012) Article DOI: 10.1016/j.bmcl.2012.03.013 BindingDB Entry DOI: 10.7270/Q2RB75MP
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50584072 (CHEMBL5071322) Show SMILES O\N=C(/Nc1cccc(Br)c1)c1ccc(Cl)nc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human TDO2 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate incubated for 1 hr...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50382183 (CHEMBL1622194) Show SMILES COc1ccc(Nc2nc(cs2)-c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C17H16N2O2S/c1-20-14-7-3-12(4-8-14)16-11-22-17(19-16)18-13-5-9-15(21-2)10-6-13/h3-11H,1-2H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of COX2 by fluorescence assay				Bioorg Med Chem Lett 22: 3567-70 (2012) Article DOI: 10.1016/j.bmcl.2012.03.013 BindingDB Entry DOI: 10.7270/Q2RB75MP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50382191 (CHEMBL2023848) Show SMILES COc1cccc(Nc2nc(cs2)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C16H13ClN2OS/c1-20-14-4-2-3-13(9-14)18-16-19-15(10-21-16)11-5-7-12(17)8-6-11/h2-10H,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of COX2 by fluorescence assay				Bioorg Med Chem Lett 22: 3567-70 (2012) Article DOI: 10.1016/j.bmcl.2012.03.013 BindingDB Entry DOI: 10.7270/Q2RB75MP
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50584070 (CHEMBL5080559) Show SMILES O\N=C(/Nc1ccc(F)c(Cl)c1)c1ccc(Cl)cn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IDO1 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate by methylene blue reagent base...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50584073 (CHEMBL5081219) Show SMILES O\N=C(/Nc1ccc(F)c(Cl)c1)c1cnc(Cl)s1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human TDO2 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate incubated for 1 hr...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50584075 (CHEMBL5076745) Show SMILES O\N=C(/Nc1cccc(Br)c1)c1ccc(Cl)s1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human TDO2 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate incubated for 1 hr...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50584093 (CHEMBL5087302) Show SMILES O\N=C(/Nc1cccc(Br)c1)c1cc(CNC(=O)Nc2ccc(F)cc2)cs1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human TDO2 protein assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate incubated for 1 hr...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114043 BindingDB Entry DOI: 10.7270/Q2SX6J39
					More data for this Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial (Homo sapiens (Human))	BDBM50580112 (CHEMBL5077748) Show SMILES Cn1c(N[C@H]2CC[C@H](O)CC2)nc2n(C)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)c12 |r,wU:4.3,wD:7.7,(14.78,-9.97,;14.31,-8.5,;15.22,-7.26,;16.76,-7.27,;17.54,-5.94,;16.78,-4.61,;17.56,-3.28,;19.1,-3.29,;19.89,-1.97,;19.86,-4.63,;19.08,-5.95,;14.32,-6,;12.85,-6.47,;11.52,-5.7,;11.52,-4.16,;10.18,-6.47,;8.84,-5.7,;10.18,-8.01,;8.85,-8.78,;7.52,-8.01,;7.51,-6.46,;6.18,-5.7,;4.85,-6.47,;3.52,-5.7,;4.85,-8.01,;3.51,-8.78,;6.18,-8.78,;11.52,-8.78,;11.52,-10.32,;12.84,-8.02,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His-tagged human MTHFD2 (36 to 350 residues) expressed in insect cells using tetrahydrofolate as substrate preincubated for ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00663 BindingDB Entry DOI: 10.7270/Q2B56PKM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50382175 (CHEMBL2023948) Show SMILES CCc1sc(Nc2ccc(OC)cc2)nc1C Show InChI InChI=1S/C13H16N2OS/c1-4-12-9(2)14-13(17-12)15-10-5-7-11(16-3)8-6-10/h5-8H,4H2,1-3H3,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of COX2 by fluorescence assay				Bioorg Med Chem Lett 22: 3567-70 (2012) Article DOI: 10.1016/j.bmcl.2012.03.013 BindingDB Entry DOI: 10.7270/Q2RB75MP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50382189 (CHEMBL2023851) Show SMILES COc1ccc(Nc2nc(c(C)s2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C17H15ClN2OS/c1-11-16(12-3-5-13(18)6-4-12)20-17(22-11)19-14-7-9-15(21-2)10-8-14/h3-10H,1-2H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of COX2 by fluorescence assay				Bioorg Med Chem Lett 22: 3567-70 (2012) Article DOI: 10.1016/j.bmcl.2012.03.013 BindingDB Entry DOI: 10.7270/Q2RB75MP
					More data for this Ligand-Target Pair

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