BDBM195591 US9216974,Resorufin::US9333197, Resorufin

SMILES: Oc1ccc2nc3ccc(=O)cc3oc2c1

InChI Key: InChIKey=HSSLDCABUXLXKM-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

PDB links: 2 PDB IDs match this monomer.

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 = 195591   

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
Cytochrome P450 1A1 (Homo sapiens (Human))	BDBM195591 (US9216974,Resorufin | US9333197, Resorufin) Show SMILES Oc1ccc2nc3ccc(=O)cc3oc2c1 Show InChI InChI=1S/C12H7NO3/c14-7-1-3-9-11(5-7)16-12-6-8(15)2-4-10(12)13-9/h1-6,14H	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Six test compound concentrations (0.1, 0.25, 1, 2.5, 10, 25 μM in DMSO; final DMSO concentration=0.3%) are incubated with human liver microsomes...				US Patent US9333197 (2016) BindingDB Entry DOI: 10.7270/Q2FT8JW7
					More data for this Ligand-Target Pair
Beta amyloid A4 protein (Homo sapiens (Human))	BDBM195591 (US9216974,Resorufin | US9333197, Resorufin) Show SMILES Oc1ccc2nc3ccc(=O)cc3oc2c1 Show InChI InChI=1S/C12H7NO3/c14-7-1-3-9-11(5-7)16-12-6-8(15)2-4-10(12)13-9/h1-6,14H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	n/a	225	n/a	n/a	n/a	n/a	n/a
WASHINGTON UNIVERSITY US Patent					Assay Description To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...				US Patent US9216974 (2015) BindingDB Entry DOI: 10.7270/Q2WD3ZCG
					More data for this Ligand-Target Pair