BDBM315742 1-[4-Fluoro-3-(7- morpholin-4-yl- quinazolin-4-yl)- phenyl]-1-thiazol- 2-ylethanol1H NMR (400 MHz, DMSO-d6) ppm = 9.11 (s,1H), 7.82-7.75 (m, 2H), 7.73 (d, J = 3.2, 1H),7.61 (d, J = 3.2, 1H), 7.53-7.50 (m, 2H), 7.41-7.36 (m, 1H), 7.20 (d, J = 1.9, 1H), 6.90 (s, 1H),3.80-3.75 (m, 4H), 3.46-3.41 (m, 4H), 1.95(s, 3H)::US10172859, Example 163::US9732094, Example 163

SMILES: CC(O)(c1nccs1)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1

InChI Key: InChIKey=WUOHIOVTQJRGGL-UHFFFAOYSA-N

Data: 2 KI  2 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 = 315742   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM315742 (1-[4-Fluoro-3-(7- morpholin-4-yl- quinazolin-4-yl)...) Show SMILES CC(O)(c1nccs1)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1 Show InChI InChI=1S/C23H21FN4O2S/c1-23(29,22-25-6-11-31-22)15-2-5-19(24)18(12-15)21-17-4-3-16(13-20(17)26-14-27-21)28-7-9-30-10-8-28/h2-6,11-14,29H,7-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The patch-clamp measurement was carried out at room temperature in whole-cell configuration on human embryonic kidney cells (HEK293) which have been ...				US Patent US9732094 (2017) BindingDB Entry DOI: 10.7270/Q2J67K1S
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM315742 (1-[4-Fluoro-3-(7- morpholin-4-yl- quinazolin-4-yl)...) Show SMILES CC(O)(c1nccs1)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1 Show InChI InChI=1S/C23H21FN4O2S/c1-23(29,22-25-6-11-31-22)15-2-5-19(24)18(12-15)21-17-4-3-16(13-20(17)26-14-27-21)28-7-9-30-10-8-28/h2-6,11-14,29H,7-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description Method for the detection and characterisation of test substances which interfere with the Kv11.1 (hERG) channel: Kv11.1 (hERG, human ether a-go-go re...				US Patent US10172859 (2019) BindingDB Entry DOI: 10.7270/Q23B626S
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM315742 (1-[4-Fluoro-3-(7- morpholin-4-yl- quinazolin-4-yl)...) Show SMILES CC(O)(c1nccs1)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1 Show InChI InChI=1S/C23H21FN4O2S/c1-23(29,22-25-6-11-31-22)15-2-5-19(24)18(12-15)21-17-4-3-16(13-20(17)26-14-27-21)28-7-9-30-10-8-28/h2-6,11-14,29H,7-10H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	18.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM315742 (1-[4-Fluoro-3-(7- morpholin-4-yl- quinazolin-4-yl)...) Show SMILES CC(O)(c1nccs1)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1 Show InChI InChI=1S/C23H21FN4O2S/c1-23(29,22-25-6-11-31-22)15-2-5-19(24)18(12-15)21-17-4-3-16(13-20(17)26-14-27-21)28-7-9-30-10-8-28/h2-6,11-14,29H,7-10H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The kinase assay was carried out in streptavidin-coated 348-well microtitre flashplates. To this end, 1.5 μg of DNA-PK/protein complex and 100 n...				US Patent US10172859 (2019) BindingDB Entry DOI: 10.7270/Q23B626S
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM315742 (1-[4-Fluoro-3-(7- morpholin-4-yl- quinazolin-4-yl)...) Show SMILES CC(O)(c1nccs1)c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1 Show InChI InChI=1S/C23H21FN4O2S/c1-23(29,22-25-6-11-31-22)15-2-5-19(24)18(12-15)21-17-4-3-16(13-20(17)26-14-27-21)28-7-9-30-10-8-28/h2-6,11-14,29H,7-10H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The kinase assay was carried out in streptavidin-coated 348-well microtitre flashplates. To this end, 1.5 ug of DNA-PK/protein complex and 100 ng of ...				US Patent US9732094 (2017) BindingDB Entry DOI: 10.7270/Q2J67K1S
					More data for this Ligand-Target Pair