null

SMILES: CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1cc(Br)ccc1O2

InChI Key: InChIKey=XVMOVNVQGRDOCX-IBGZPJMESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50514603   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50514603 (CHEMBL4550298) Show SMILES CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1cc(Br)ccc1O2 |r| Show InChI InChI=1S/C24H25BrN4O4/c1-2-32-23(31)29-10-8-24(9-11-29)13-19(18-12-16(25)6-7-20(18)33-24)27-22(30)17-5-3-4-15-14-26-28-21(15)17/h3-7,12,14,19H,2,8-11,13H2,1H3,(H,26,28)(H,27,30)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant 6His/FLAG/Avi-tagged/Tev-fused IDO1 holoenzyme (unknown origin) expressed in Escherichia coli BL21 (DE3) using D-TRP as sub...				J Med Chem 63: 3552-3562 (2020) Article DOI: 10.1021/acs.jmedchem.9b01799
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514603 (CHEMBL4550298) Show SMILES CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1cc(Br)ccc1O2 |r| Show InChI InChI=1S/C24H25BrN4O4/c1-2-32-23(31)29-10-8-24(9-11-29)13-19(18-12-16(25)6-7-20(18)33-24)27-22(30)17-5-3-4-15-14-26-28-21(15)17/h3-7,12,14,19H,2,8-11,13H2,1H3,(H,26,28)(H,27,30)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant 6His/FLAG/Avi-tagged/Tev-fused IDO1 holoenzyme (unknown origin) expressed in Escherichia coli BL21 (DE3) using D-TRP as sub...				J Med Chem 63: 3552-3562 (2020) Article DOI: 10.1021/acs.jmedchem.9b01799
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514603 (CHEMBL4550298) Show SMILES CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1cc(Br)ccc1O2 |r| Show InChI InChI=1S/C24H25BrN4O4/c1-2-32-23(31)29-10-8-24(9-11-29)13-19(18-12-16(25)6-7-20(18)33-24)27-22(30)17-5-3-4-15-14-26-28-21(15)17/h3-7,12,14,19H,2,8-11,13H2,1H3,(H,26,28)(H,27,30)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as reduction in kynurenine production after 48 hrs by RapidFire MS assay				J Med Chem 63: 3552-3562 (2020) Article DOI: 10.1021/acs.jmedchem.9b01799
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50514603 (CHEMBL4550298) Show SMILES CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1cc(Br)ccc1O2 |r| Show InChI InChI=1S/C24H25BrN4O4/c1-2-32-23(31)29-10-8-24(9-11-29)13-19(18-12-16(25)6-7-20(18)33-24)27-22(30)17-5-3-4-15-14-26-28-21(15)17/h3-7,12,14,19H,2,8-11,13H2,1H3,(H,26,28)(H,27,30)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFN-gamma/LPS stimulated human PBMC assessed as reduction in kynurenine production after 48 hrs by RapidFire MS assay				J Med Chem 63: 3552-3562 (2020) Article DOI: 10.1021/acs.jmedchem.9b01799
					More data for this Ligand-Target Pair