BDBM67856 2-[Ethyl-(5-isobutyl-2,2-dimethyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren-8-yl)-amino]- ethanol::MLS000558139::SMR000148855::cid_3764964

SMILES: CCN(CCO)c1ncnc2c1sc1nc(CC(C)C)c3COC(C)(C)Cc3c21

InChI Key: InChIKey=QLDVPLZWFRDXQZ-UHFFFAOYSA-N

Data: 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 4 hits for monomerid = 67856   

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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67856 (2-[Ethyl-(5-isobutyl-2,2-dimethyl-1,4-dihydro-2H-3...) Show SMILES CCN(CCO)c1ncnc2c1sc1nc(CC(C)C)c3COC(C)(C)Cc3c21 Show InChI InChI=1S/C22H30N4O2S/c1-6-26(7-8-27)20-19-18(23-12-24-20)17-14-10-22(4,5)28-11-15(14)16(9-13(2)3)25-21(17)29-19/h12-13,27H,6-11H2,1-5H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM67856 (2-[Ethyl-(5-isobutyl-2,2-dimethyl-1,4-dihydro-2H-3...) Show SMILES CCN(CCO)c1ncnc2c1sc1nc(CC(C)C)c3COC(C)(C)Cc3c21 Show InChI InChI=1S/C22H30N4O2S/c1-6-26(7-8-27)20-19-18(23-12-24-20)17-14-10-22(4,5)28-11-15(14)16(9-13(2)3)25-21(17)29-19/h12-13,27H,6-11H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	45.4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: R03 MH093192-01 Project Title: HTS for Non-Canonical Ligands for Beta 2 Adrenergic Receptor...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2RB734K
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM67856 (2-[Ethyl-(5-isobutyl-2,2-dimethyl-1,4-dihydro-2H-3...) Show SMILES CCN(CCO)c1ncnc2c1sc1nc(CC(C)C)c3COC(C)(C)Cc3c21 Show InChI InChI=1S/C22H30N4O2S/c1-6-26(7-8-27)20-19-18(23-12-24-20)17-14-10-22(4,5)28-11-15(14)16(9-13(2)3)25-21(17)29-19/h12-13,27H,6-11H2,1-5H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TQN
					More data for this Ligand-Target Pair
X-box-binding protein 1 (Homo sapiens (Human))	BDBM67856 (2-[Ethyl-(5-isobutyl-2,2-dimethyl-1,4-dihydro-2H-3...) Show SMILES CCN(CCO)c1ncnc2c1sc1nc(CC(C)C)c3COC(C)(C)Cc3c21 Show InChI InChI=1S/C22H30N4O2S/c1-6-26(7-8-27)20-19-18(23-12-24-20)17-14-10-22(4,5)28-11-15(14)16(9-13(2)3)25-21(17)29-19/h12-13,27H,6-11H2,1-5H3	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CGB
					More data for this Ligand-Target Pair