BDBM44200 3,4-dihydro-1H-isoquinolin-2-yl-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)-4-piperidyl]methanone::3,4-dihydro-1H-isoquinolin-2-yl-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone::3,4-dihydro-1H-isoquinolin-2-yl-[1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-4-piperidinyl]methanone::MLS000119703::SMR000096624::cid_5308742

SMILES: O=C(C1CCN(CC1)c1nnc(s1)-n1cccc1)N1CCc2ccccc2C1

InChI Key: InChIKey=SARNMBSCBINKFU-UHFFFAOYSA-N

Data: 2 EC50

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 2 hits for monomerid = 44200   

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
electroneutral potassium-chloride cotransporter KCC2 (Homo sapiens (Human))	BDBM44200 (3,4-dihydro-1H-isoquinolin-2-yl-[1-(5-pyrrol-1-yl-...) Show SMILES O=C(C1CCN(CC1)c1nnc(s1)-n1cccc1)N1CCc2ccccc2C1 Show InChI InChI=1S/C21H23N5OS/c27-19(26-14-7-16-5-1-2-6-18(16)15-26)17-8-12-25(13-9-17)21-23-22-20(28-21)24-10-3-4-11-24/h1-6,10-11,17H,7-9,12-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2M32T6M
					More data for this Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2 (Homo sapiens (Human))	BDBM44200 (3,4-dihydro-1H-isoquinolin-2-yl-[1-(5-pyrrol-1-yl-...) Show SMILES O=C(C1CCN(CC1)c1nnc(s1)-n1cccc1)N1CCc2ccccc2C1 Show InChI InChI=1S/C21H23N5OS/c27-19(26-14-7-16-5-1-2-6-18(16)15-26)17-8-12-25(13-9-17)21-23-22-20(28-21)24-10-3-4-11-24/h1-6,10-11,17H,7-9,12-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2Q52N1X
					More data for this Ligand-Target Pair