BDBM50235861 CHEMBL1597646

SMILES: COc1cccc(NC(S)=Nc2ccc(O)cc2)c1

InChI Key: InChIKey=QMAJUXRVBPSIHG-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

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 2 hits for monomerid = 50235861   

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
Myocilin (Homo sapiens)	BDBM50235861 (CHEMBL1597646) Show SMILES COc1cccc(NC(S)=Nc2ccc(O)cc2)c1 Show InChI InChI=1S/C14H14N2O2S/c1-18-13-4-2-3-11(9-13)16-14(19)15-10-5-7-12(17)8-6-10/h2-9,17H,1H3,(H2,15,16,19)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a
Center for the Study of Systems Biology, School of Biology, Georgia Institute of Technology, 950, Atlantic Drive, Atlanta, GA 30332, United States. Curated by ChEMBL					Assay Description Binding affinity myocilin-OLF domain (unknown origin) by Sypro Orange dye-based DSF assay				Bioorg Med Chem Lett 27: 4133-4139 (2017) Article DOI: 10.1016/j.bmcl.2017.07.035 BindingDB Entry DOI: 10.7270/Q2NG4T4K
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM50235861 (CHEMBL1597646) Show SMILES COc1cccc(NC(S)=Nc2ccc(O)cc2)c1 Show InChI InChI=1S/C14H14N2O2S/c1-18-13-4-2-3-11(9-13)16-14(19)15-10-5-7-12(17)8-6-10/h2-9,17H,1H3,(H2,15,16,19)	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	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Tested in a cell-free SLe-polyacrylamide glycoconjugate binding assay (assay A) in P-selectin				Eur J Med Chem 126: 983-996 (2017) Article DOI: 10.1016/j.ejmech.2016.12.029 BindingDB Entry DOI: 10.7270/Q2RX9F9K
					More data for this Ligand-Target Pair