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BDBM315864 2-(7-Chlorothieno- [2,3-d}pyridazin-4-yl)- 2-[4-fluoro-3-(7- morpholin-4-yl- quinazolin-4-yl)- phenyl]acetamide1H NMR (500 MHz, DMSO-d6) ppm = 9.09 (s,1H), 8.43 (d, J = 5.4, 1H), 7.86 (d, J = 5.4, 1H), 7.77(s, 1H), 7.74-7.67 (m, 2H), 7.56 (dd, J = 9.4, 3.1,1H), 7.50 (dd, J = 9.5, 2.5, 1H), 7.44-7.35 (m, 2H),7.19 (d, J = 2.4, 1H), 5.92 (s, 1H), 3.81-3.74 (m,4H), 3.47-3.40 (m, 4H).::US10172859, Example 291::US9732094, Example 291

SMILES: NC(=O)C(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nnc(Cl)c2sccc12

InChI Key: InChIKey=ZYLBIZICFDLWPM-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 4 hits for monomerid = 315864   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315864
PNG
(2-(7-Chlorothieno- [2,3-d}pyridazin-4-yl)- 2-[4-fl...)
Show SMILES NC(=O)C(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nnc(Cl)c2sccc12
Show InChI InChI=1S/C26H20ClFN6O2S/c27-25-24-17(5-10-37-24)23(32-33-25)21(26(29)35)14-1-4-19(28)18(11-14)22-16-3-2-15(12-20(16)30-13-31-22)34-6-8-36-9-7-34/h1-5,10-13,21H,6-9H2,(H2,29,35)
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MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
<1.00E+4n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM315864
PNG
(2-(7-Chlorothieno- [2,3-d}pyridazin-4-yl)- 2-[4-fl...)
Show SMILES NC(=O)C(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nnc(Cl)c2sccc12
Show InChI InChI=1S/C26H20ClFN6O2S/c27-25-24-17(5-10-37-24)23(32-33-25)21(26(29)35)14-1-4-19(28)18(11-14)22-16-3-2-15(12-20(16)30-13-31-22)34-6-8-36-9-7-34/h1-5,10-13,21H,6-9H2,(H2,29,35)
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UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem
US Patent
<1.00E+4n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM315864
PNG
(2-(7-Chlorothieno- [2,3-d}pyridazin-4-yl)- 2-[4-fl...)
Show SMILES NC(=O)C(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nnc(Cl)c2sccc12
Show InChI InChI=1S/C26H20ClFN6O2S/c27-25-24-17(5-10-37-24)23(32-33-25)21(26(29)35)14-1-4-19(28)18(11-14)22-16-3-2-15(12-20(16)30-13-31-22)34-6-8-36-9-7-34/h1-5,10-13,21H,6-9H2,(H2,29,35)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
DNA-dependent protein kinase


(Homo sapiens (Human))
BDBM315864
PNG
(2-(7-Chlorothieno- [2,3-d}pyridazin-4-yl)- 2-[4-fl...)
Show SMILES NC(=O)C(c1ccc(F)c(c1)-c1ncnc2cc(ccc12)N1CCOCC1)c1nnc(Cl)c2sccc12
Show InChI InChI=1S/C26H20ClFN6O2S/c27-25-24-17(5-10-37-24)23(32-33-25)21(26(29)35)14-1-4-19(28)18(11-14)22-16-3-2-15(12-20(16)30-13-31-22)34-6-8-36-9-7-34/h1-5,10-13,21H,6-9H2,(H2,29,35)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair