BDBM50213370 CHEMBL82085

SMILES: Oc1cccc(NC(=O)c2cc3cccc(O)c3oc2=N)c1

InChI Key: InChIKey=ZWHZPZUQLRMMME-UHFFFAOYSA-N

Data: 5 IC50

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 = 50213370   

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
Tyrosine-protein kinase Fyn (Homo sapiens (Human))	BDBM50213370 (CHEMBL82085) Show SMILES Oc1cccc(NC(=O)c2cc3cccc(O)c3oc2=N)c1 Show InChI InChI=1S/C16H12N2O4/c17-15-12(7-9-3-1-6-13(20)14(9)22-15)16(21)18-10-4-2-5-11(19)8-10/h1-8,17,19-20H,(H,18,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	6.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against p55 Fyn tyrosine kinase				Citation and Details BindingDB Entry DOI: 10.7270/Q25B04P7
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50213370 (CHEMBL82085) Show SMILES Oc1cccc(NC(=O)c2cc3cccc(O)c3oc2=N)c1 Show InChI InChI=1S/C16H12N2O4/c17-15-12(7-9-3-1-6-13(20)14(9)22-15)16(21)18-10-4-2-5-11(19)8-10/h1-8,17,19-20H,(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against p60 c-Src tyrosine kinase				Citation and Details BindingDB Entry DOI: 10.7270/Q25B04P7
					More data for this Ligand-Target Pair
Aldo-keto-reductase family 1 member C3 (Homo sapiens (Human))	BDBM50213370 (CHEMBL82085) Show SMILES Oc1cccc(NC(=O)c2cc3cccc(O)c3oc2=N)c1 Show InChI InChI=1S/C16H12N2O4/c17-15-12(7-9-3-1-6-13(20)14(9)22-15)16(21)18-10-4-2-5-11(19)8-10/h1-8,17,19-20H,(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level				J Med Chem 63: 10396-10411 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM50213370 (CHEMBL82085) Show SMILES Oc1cccc(NC(=O)c2cc3cccc(O)c3oc2=N)c1 Show InChI InChI=1S/C16H12N2O4/c17-15-12(7-9-3-1-6-13(20)14(9)22-15)16(21)18-10-4-2-5-11(19)8-10/h1-8,17,19-20H,(H,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	<3.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against p56 Lyn tyrosine kinase				Citation and Details BindingDB Entry DOI: 10.7270/Q25B04P7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50213370 (CHEMBL82085) Show SMILES Oc1cccc(NC(=O)c2cc3cccc(O)c3oc2=N)c1 Show InChI InChI=1S/C16H12N2O4/c17-15-12(7-9-3-1-6-13(20)14(9)22-15)16(21)18-10-4-2-5-11(19)8-10/h1-8,17,19-20H,(H,18,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against p56 Lck tyrosine kinase				Citation and Details BindingDB Entry DOI: 10.7270/Q25B04P7
					More data for this Ligand-Target Pair