BDBM458966 (4-{[2-(4-Bromophenyl)imidazo [1,2-a]pyridin-3-yl]methyl}piperazin-1-yl)(2-fluorophenyl)methanone::US10759794, Example 4

SMILES: Fc1ccccc1C(=O)N1CCN(Cc2c(nc3ccccn23)-c2ccc(Br)cc2)CC1

InChI Key: InChIKey=NABAWQRCDXXOMF-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 458966   

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))	BDBM458966 ((4-{[2-(4-Bromophenyl)imidazo [1,2-a]pyridin-3-yl]...) Show SMILES Fc1ccccc1C(=O)N1CCN(Cc2c(nc3ccccn23)-c2ccc(Br)cc2)CC1 Show InChI InChI=1S/C25H22BrFN4O/c26-19-10-8-18(9-11-19)24-22(31-12-4-3-7-23(31)28-24)17-29-13-15-30(16-14-29)25(32)20-5-1-2-6-21(20)27/h1-12H,13-17H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The investigations on the inhibition of the recombinant TASK-1 and TASK-3 channels were carried out using stably transfected CHO cells. Here, the com...				US Patent US10759794 (2020)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Potassium channel subfamily K member 9 (Homo sapiens (Human))	BDBM458966 ((4-{[2-(4-Bromophenyl)imidazo [1,2-a]pyridin-3-yl]...) Show SMILES Fc1ccccc1C(=O)N1CCN(Cc2c(nc3ccccn23)-c2ccc(Br)cc2)CC1 Show InChI InChI=1S/C25H22BrFN4O/c26-19-10-8-18(9-11-19)24-22(31-12-4-3-7-23(31)28-24)17-29-13-15-30(16-14-29)25(32)20-5-1-2-6-21(20)27/h1-12H,13-17H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The investigations on the inhibition of the recombinant TASK-1 and TASK-3 channels were carried out using stably transfected CHO cells. Here, the com...				US Patent US10759794 (2020)
					More data for this Ligand-Target Pair
Potassium channel protein TASK-1 (Homo sapiens (Human))	BDBM458966 ((4-{[2-(4-Bromophenyl)imidazo [1,2-a]pyridin-3-yl]...) Show SMILES Fc1ccccc1C(=O)N1CCN(Cc2c(nc3ccccn23)-c2ccc(Br)cc2)CC1 Show InChI InChI=1S/C25H22BrFN4O/c26-19-10-8-18(9-11-19)24-22(31-12-4-3-7-23(31)28-24)17-29-13-15-30(16-14-29)25(32)20-5-1-2-6-21(20)27/h1-12H,13-17H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	172	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The investigations on the inhibition of the recombinant TASK-1 and TASK-3 channels were carried out using stably transfected CHO cells. Here, the com...				US Patent US10759794 (2020)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Potassium channel subfamily K member 9 (Homo sapiens (Human))	BDBM458966 ((4-{[2-(4-Bromophenyl)imidazo [1,2-a]pyridin-3-yl]...) Show SMILES Fc1ccccc1C(=O)N1CCN(Cc2c(nc3ccccn23)-c2ccc(Br)cc2)CC1 Show InChI InChI=1S/C25H22BrFN4O/c26-19-10-8-18(9-11-19)24-22(31-12-4-3-7-23(31)28-24)17-29-13-15-30(16-14-29)25(32)20-5-1-2-6-21(20)27/h1-12H,13-17H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The investigations on the inhibition of the recombinant TASK-1 and TASK-3 channels were carried out using stably transfected CHO cells. Here, the com...				US Patent US10759794 (2020)
					More data for this Ligand-Target Pair