BDBM413514 US10414765, Example 17

SMILES: COc1cccc(c1)C(=O)N1CC2CN(Cc3c(nc4ccccn34)-c3ccc(Cl)cc3)CC2C1

InChI Key: InChIKey=JQQNQHGNKFGHED-UHFFFAOYSA-N

Data: 4 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 = 413514   

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 channel protein TASK-1 (Homo sapiens (Human))	BDBM413514 (US10414765, Example 17) Show SMILES COc1cccc(c1)C(=O)N1CC2CN(Cc3c(nc4ccccn34)-c3ccc(Cl)cc3)CC2C1 Show InChI InChI=1S/C28H27ClN4O2/c1-35-24-6-4-5-20(13-24)28(34)32-16-21-14-31(15-22(21)17-32)18-25-27(19-8-10-23(29)11-9-19)30-26-7-2-3-12-33(25)26/h2-13,21-22H,14-18H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description In Vitro Electrophysiological Analysis of the Human TASK-1 and TASK-3 Channels Via Two-Electrode Voltage Clamp Technique in Xenopus laevis OocytesSub...				US Patent US10414765 (2019) BindingDB Entry DOI: 10.7270/Q2QJ7KNV
					More data for this Ligand-Target Pair
Potassium channel subfamily K member 9 (Homo sapiens (Human))	BDBM413514 (US10414765, Example 17) Show SMILES COc1cccc(c1)C(=O)N1CC2CN(Cc3c(nc4ccccn34)-c3ccc(Cl)cc3)CC2C1 Show InChI InChI=1S/C28H27ClN4O2/c1-35-24-6-4-5-20(13-24)28(34)32-16-21-14-31(15-22(21)17-32)18-25-27(19-8-10-23(29)11-9-19)30-26-7-2-3-12-33(25)26/h2-13,21-22H,14-18H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description In Vitro Electrophysiological Analysis of the Human TASK-1 and TASK-3 Channels Via Two-Electrode Voltage Clamp Technique in Xenopus laevis OocytesSub...				US Patent US10414765 (2019) BindingDB Entry DOI: 10.7270/Q2QJ7KNV
					More data for this Ligand-Target Pair
Potassium channel protein TASK-1 (Homo sapiens (Human))	BDBM413514 (US10414765, Example 17) Show SMILES COc1cccc(c1)C(=O)N1CC2CN(Cc3c(nc4ccccn34)-c3ccc(Cl)cc3)CC2C1 Show InChI InChI=1S/C28H27ClN4O2/c1-35-24-6-4-5-20(13-24)28(34)32-16-21-14-31(15-22(21)17-32)18-25-27(19-8-10-23(29)11-9-19)30-26-7-2-3-12-33(25)26/h2-13,21-22H,14-18H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	721	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description In Vitro Electrophysiological Analysis of the Human TASK-1 and TASK-3 Channels Via Two-Electrode Voltage Clamp Technique in Xenopus laevis OocytesSub...				US Patent US10414765 (2019) BindingDB Entry DOI: 10.7270/Q2QJ7KNV
					More data for this Ligand-Target Pair
Potassium channel subfamily K member 9 (Homo sapiens (Human))	BDBM413514 (US10414765, Example 17) Show SMILES COc1cccc(c1)C(=O)N1CC2CN(Cc3c(nc4ccccn34)-c3ccc(Cl)cc3)CC2C1 Show InChI InChI=1S/C28H27ClN4O2/c1-35-24-6-4-5-20(13-24)28(34)32-16-21-14-31(15-22(21)17-32)18-25-27(19-8-10-23(29)11-9-19)30-26-7-2-3-12-33(25)26/h2-13,21-22H,14-18H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	21.8	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description In Vitro Electrophysiological Analysis of the Human TASK-1 and TASK-3 Channels Via Two-Electrode Voltage Clamp Technique in Xenopus laevis OocytesSub...				US Patent US10414765 (2019) BindingDB Entry DOI: 10.7270/Q2QJ7KNV
					More data for this Ligand-Target Pair