BDBM315987 US10172859, Example 410::US10172859, Example 411::US10172859, Example 422::US9732094, Example 422::[2-Chloro-5-(7- morpholin-4-yl- quinazolin-4-yl)- phenyl]-(3-methoxy- pyrazin-2-yl)- methanol (Ena 2)see racemate

SMILES: COc1nccnc1C(O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1

InChI Key: InChIKey=QZQZLQSAQQUISA-UHFFFAOYSA-N

Data: 6 KI  6 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 14 hits for monomerid = 315987   

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))	BDBM315987 (US10172859, Example 410 | US10172859, Example 411 ...) Show SMILES COc1nccnc1C(O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1 Show InChI InChI=1S/C24H22ClN5O3/c1-32-24-22(26-6-7-27-24)23(31)18-12-15(2-5-19(18)25)21-17-4-3-16(13-20(17)28-14-29-21)30-8-10-33-11-9-30/h2-7,12-14,23,31H,8-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1.00E+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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM315987 (US10172859, Example 410 | US10172859, Example 411 ...) Show SMILES COc1nccnc1C(O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1 Show InChI InChI=1S/C24H22ClN5O3/c1-32-24-22(26-6-7-27-24)23(31)18-12-15(2-5-19(18)25)21-17-4-3-16(13-20(17)28-14-29-21)30-8-10-33-11-9-30/h2-7,12-14,23,31H,8-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1.00E+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))	BDBM315987 (US10172859, Example 410 | US10172859, Example 411 ...) Show SMILES COc1nccnc1C(O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1 Show InChI InChI=1S/C24H22ClN5O3/c1-32-24-22(26-6-7-27-24)23(31)18-12-15(2-5-19(18)25)21-17-4-3-16(13-20(17)28-14-29-21)30-8-10-33-11-9-30/h2-7,12-14,23,31H,8-11H2,1H3	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM315987 (US10172859, Example 410 | US10172859, Example 411 ...) Show SMILES COc1nccnc1C(O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1 Show InChI InChI=1S/C24H22ClN5O3/c1-32-24-22(26-6-7-27-24)23(31)18-12-15(2-5-19(18)25)21-17-4-3-16(13-20(17)28-14-29-21)30-8-10-33-11-9-30/h2-7,12-14,23,31H,8-11H2,1H3	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))	BDBM315987 (US10172859, Example 410 | US10172859, Example 411 ...) Show SMILES COc1nccnc1C(O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1 Show InChI InChI=1S/C24H22ClN5O3/c1-32-24-22(26-6-7-27-24)23(31)18-12-15(2-5-19(18)25)21-17-4-3-16(13-20(17)28-14-29-21)30-8-10-33-11-9-30/h2-7,12-14,23,31H,8-11H2,1H3	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM315987 (US10172859, Example 410 | US10172859, Example 411 ...) Show SMILES COc1nccnc1C(O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1 Show InChI InChI=1S/C24H22ClN5O3/c1-32-24-22(26-6-7-27-24)23(31)18-12-15(2-5-19(18)25)21-17-4-3-16(13-20(17)28-14-29-21)30-8-10-33-11-9-30/h2-7,12-14,23,31H,8-11H2,1H3	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
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM315987 (US10172859, Example 410 | US10172859, Example 411 ...) Show SMILES COc1nccnc1C(O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1 Show InChI InChI=1S/C24H22ClN5O3/c1-32-24-22(26-6-7-27-24)23(31)18-12-15(2-5-19(18)25)21-17-4-3-16(13-20(17)28-14-29-21)30-8-10-33-11-9-30/h2-7,12-14,23,31H,8-11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<3	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))	BDBM315987 (US10172859, Example 410 | US10172859, Example 411 ...) Show SMILES COc1nccnc1C(O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1 Show InChI InChI=1S/C24H22ClN5O3/c1-32-24-22(26-6-7-27-24)23(31)18-12-15(2-5-19(18)25)21-17-4-3-16(13-20(17)28-14-29-21)30-8-10-33-11-9-30/h2-7,12-14,23,31H,8-11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	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 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
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM315987 (US10172859, Example 410 | US10172859, Example 411 ...) Show SMILES COc1nccnc1C(O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1 Show InChI InChI=1S/C24H22ClN5O3/c1-32-24-22(26-6-7-27-24)23(31)18-12-15(2-5-19(18)25)21-17-4-3-16(13-20(17)28-14-29-21)30-8-10-33-11-9-30/h2-7,12-14,23,31H,8-11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	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 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
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM315987 (US10172859, Example 410 | US10172859, Example 411 ...) Show SMILES COc1nccnc1C(O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1 Show InChI InChI=1S/C24H22ClN5O3/c1-32-24-22(26-6-7-27-24)23(31)18-12-15(2-5-19(18)25)21-17-4-3-16(13-20(17)28-14-29-21)30-8-10-33-11-9-30/h2-7,12-14,23,31H,8-11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	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))	BDBM315987 (US10172859, Example 410 | US10172859, Example 411 ...) Show SMILES COc1nccnc1C(O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1 Show InChI InChI=1S/C24H22ClN5O3/c1-32-24-22(26-6-7-27-24)23(31)18-12-15(2-5-19(18)25)21-17-4-3-16(13-20(17)28-14-29-21)30-8-10-33-11-9-30/h2-7,12-14,23,31H,8-11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	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))	BDBM315987 (US10172859, Example 410 | US10172859, Example 411 ...) Show SMILES COc1nccnc1C(O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1 Show InChI InChI=1S/C24H22ClN5O3/c1-32-24-22(26-6-7-27-24)23(31)18-12-15(2-5-19(18)25)21-17-4-3-16(13-20(17)28-14-29-21)30-8-10-33-11-9-30/h2-7,12-14,23,31H,8-11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	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))	BDBM315987 (US10172859, Example 410 | US10172859, Example 411 ...) Show SMILES COc1nccnc1C(O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1 Show InChI InChI=1S/C24H22ClN5O3/c1-32-24-22(26-6-7-27-24)23(31)18-12-15(2-5-19(18)25)21-17-4-3-16(13-20(17)28-14-29-21)30-8-10-33-11-9-30/h2-7,12-14,23,31H,8-11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	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))	BDBM315987 (US10172859, Example 410 | US10172859, Example 411 ...) Show SMILES COc1nccnc1C(O)c1cc(ccc1Cl)-c1ncnc2cc(ccc12)N1CCOCC1 Show InChI InChI=1S/C24H22ClN5O3/c1-32-24-22(26-6-7-27-24)23(31)18-12-15(2-5-19(18)25)21-17-4-3-16(13-20(17)28-14-29-21)30-8-10-33-11-9-30/h2-7,12-14,23,31H,8-11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	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