BDBM50203255 CHEMBL3913975

SMILES: NC1=C(C#N)C(c2cccc(Cl)c2)c2c(N1)[nH]c(=O)[nH]c2=O

InChI Key: InChIKey=RICVALQWGWQPDM-UHFFFAOYSA-N

Data: 1 KI  3 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50203255   

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))	BDBM50203255 (CHEMBL3913975) Show SMILES NC1=C(C#N)C(c2cccc(Cl)c2)c2c(N1)[nH]c(=O)[nH]c2=O |c:1| Show InChI InChI=1S/C14H10ClN5O2/c15-7-3-1-2-6(4-7)9-8(5-16)11(17)18-12-10(9)13(21)20-14(22)19-12/h1-4,9H,17H2,(H3,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology Curated by ChEMBL					Assay Description Inhibition of N-terminus 6xHis-tagged human IDO1 expressed in Escherichia coli M15 using L-tryptophan as substrate preincubated for 1 hr measured aft...				ACS Med Chem Lett 7: 1167-1172 (2016) Article DOI: 10.1021/acsmedchemlett.6b00359 BindingDB Entry DOI: 10.7270/Q2TF009K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50203255 (CHEMBL3913975) Show SMILES NC1=C(C#N)C(c2cccc(Cl)c2)c2c(N1)[nH]c(=O)[nH]c2=O |c:1| Show InChI InChI=1S/C14H10ClN5O2/c15-7-3-1-2-6(4-7)9-8(5-16)11(17)18-12-10(9)13(21)20-14(22)19-12/h1-4,9H,17H2,(H3,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology Curated by ChEMBL					Assay Description Inhibition of N-terminus 6xHis-tagged human IDO1 expressed in Escherichia coli M15 using L-tryptophan as substrate preincubated for 1 hr measured aft...				ACS Med Chem Lett 7: 1167-1172 (2016) Article DOI: 10.1021/acsmedchemlett.6b00359 BindingDB Entry DOI: 10.7270/Q2TF009K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50203255 (CHEMBL3913975) Show SMILES NC1=C(C#N)C(c2cccc(Cl)c2)c2c(N1)[nH]c(=O)[nH]c2=O |c:1| Show InChI InChI=1S/C14H10ClN5O2/c15-7-3-1-2-6(4-7)9-8(5-16)11(17)18-12-10(9)13(21)20-14(22)19-12/h1-4,9H,17H2,(H3,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	75	n/a	n/a	n/a	n/a
Indian Institute of Technology Curated by ChEMBL					Assay Description Inhibition of IDO1 in IFNgamma-induced human MDA-MB-231 cells using tryptophan as substrate preincubated for 4 hrs followed by substrate addition for...				ACS Med Chem Lett 7: 1167-1172 (2016) Article DOI: 10.1021/acsmedchemlett.6b00359 BindingDB Entry DOI: 10.7270/Q2TF009K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50203255 (CHEMBL3913975) Show SMILES NC1=C(C#N)C(c2cccc(Cl)c2)c2c(N1)[nH]c(=O)[nH]c2=O |c:1| Show InChI InChI=1S/C14H10ClN5O2/c15-7-3-1-2-6(4-7)9-8(5-16)11(17)18-12-10(9)13(21)20-14(22)19-12/h1-4,9H,17H2,(H3,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	473	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology Curated by ChEMBL					Assay Description Inhibition of N-terminus 6xHis-tagged human IDO1 expressed in Escherichia coli M15 using L-tryptophan as substrate preincubated for 1 hr measured aft...				ACS Med Chem Lett 7: 1167-1172 (2016) Article DOI: 10.1021/acsmedchemlett.6b00359 BindingDB Entry DOI: 10.7270/Q2TF009K
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50203255 (CHEMBL3913975) Show SMILES NC1=C(C#N)C(c2cccc(Cl)c2)c2c(N1)[nH]c(=O)[nH]c2=O |c:1| Show InChI InChI=1S/C14H10ClN5O2/c15-7-3-1-2-6(4-7)9-8(5-16)11(17)18-12-10(9)13(21)20-14(22)19-12/h1-4,9H,17H2,(H3,18,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology Curated by ChEMBL					Assay Description Inhibition of N-terminal 6xHis-tagged human TDO expressed in Escherichia cli Rosetta (DE3) pLysS using L-tryptophan as substrate preincubated for 1 h...				ACS Med Chem Lett 7: 1167-1172 (2016) Article DOI: 10.1021/acsmedchemlett.6b00359 BindingDB Entry DOI: 10.7270/Q2TF009K
					More data for this Ligand-Target Pair