BDBM43882 MLS000688132::N-(8-quinolylthiocarbamoyl)thiophene-2-carboxamide::N-(quinolin-8-ylcarbamothioyl)thiophene-2-carboxamide::N-[(8-quinolinylamino)-sulfanylidenemethyl]-2-thiophenecarboxamide::SMR000284302::cid_803256

SMILES: O=C(NC(=S)Nc1cccc2cccnc12)c1cccs1

InChI Key: InChIKey=XDHSYBVDZZESJO-UHFFFAOYSA-N

Data: 2 IC50  4 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 6 hits for monomerid = 43882   

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))	BDBM43882 (MLS000688132 | N-(8-quinolylthiocarbamoyl)thiophen...) Show SMILES O=C(NC(=S)Nc1cccc2cccnc12)c1cccs1 Show InChI InChI=1S/C15H11N3OS2/c19-14(12-7-3-9-21-12)18-15(20)17-11-6-1-4-10-5-2-8-16-13(10)11/h1-9H,(H2,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	158	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
electroneutral potassium-chloride cotransporter KCC2 (Homo sapiens (Human))	BDBM43882 (MLS000688132 | N-(8-quinolylthiocarbamoyl)thiophen...) Show SMILES O=C(NC(=S)Nc1cccc2cccnc12)c1cccs1 Show InChI InChI=1S/C15H11N3OS2/c19-14(12-7-3-9-21-12)18-15(20)17-11-6-1-4-10-5-2-8-16-13(10)11/h1-9H,(H2,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	124	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/Q23B5XKP
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM43882 (MLS000688132 | N-(8-quinolylthiocarbamoyl)thiophen...) Show SMILES O=C(NC(=S)Nc1cccc2cccnc12)c1cccs1 Show InChI InChI=1S/C15H11N3OS2/c19-14(12-7-3-9-21-12)18-15(20)17-11-6-1-4-10-5-2-8-16-13(10)11/h1-9H,(H2,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>5.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2WW7G4W
					More data for this Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2 (Homo sapiens (Human))	BDBM43882 (MLS000688132 | N-(8-quinolylthiocarbamoyl)thiophen...) Show SMILES O=C(NC(=S)Nc1cccc2cccnc12)c1cccs1 Show InChI InChI=1S/C15H11N3OS2/c19-14(12-7-3-9-21-12)18-15(20)17-11-6-1-4-10-5-2-8-16-13(10)11/h1-9H,(H2,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	156	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
Orexin receptor type 1 (Homo sapiens (Human))	BDBM43882 (MLS000688132 | N-(8-quinolylthiocarbamoyl)thiophen...) Show SMILES O=C(NC(=S)Nc1cccc2cccnc12)c1cccs1 Show InChI InChI=1S/C15H11N3OS2/c19-14(12-7-3-9-21-12)18-15(20)17-11-6-1-4-10-5-2-8-16-13(10)11/h1-9H,(H2,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>3.31	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2S75DTS
					More data for this Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2 (Homo sapiens (Human))	BDBM43882 (MLS000688132 | N-(8-quinolylthiocarbamoyl)thiophen...) Show SMILES O=C(NC(=S)Nc1cccc2cccnc12)c1cccs1 Show InChI InChI=1S/C15H11N3OS2/c19-14(12-7-3-9-21-12)18-15(20)17-11-6-1-4-10-5-2-8-16-13(10)11/h1-9H,(H2,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	125	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/Q2TX3CSC
					More data for this Ligand-Target Pair