BDBM43873 1-[(Z)-[1-[(4-fluorophenyl)methyl]-2-oxidanylidene-indol-3-ylidene]amino]thiourea::MLS000587573::SMR000211591::[(Z)-[1-(4-fluorobenzyl)-2-keto-indolin-3-ylidene]amino]thiourea::[(Z)-[1-[(4-fluorophenyl)methyl]-2-oxo-3-indolylidene]amino]thiourea::[(Z)-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]amino]thiourea::cid_6870780

SMILES: NC(=S)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccccc12

InChI Key: InChIKey=PFMJHBFKQYDXPD-UHFFFAOYSA-N

Data: 1 IC50  6 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 7 hits for monomerid = 43873   

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))	BDBM43873 (1-[(Z)-[1-[(4-fluorophenyl)methyl]-2-oxidanylidene...) Show SMILES NC(=S)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccccc12 |w:4.3| Show InChI InChI=1S/C16H13FN4OS/c17-11-7-5-10(6-8-11)9-21-13-4-2-1-3-12(13)14(15(21)22)19-20-16(18)23/h1-8H,9H2,(H3,18,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.80E+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
electroneutral potassium-chloride cotransporter KCC2 (Homo sapiens (Human))	BDBM43873 (1-[(Z)-[1-[(4-fluorophenyl)methyl]-2-oxidanylidene...) Show SMILES NC(=S)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccccc12 |w:4.3| Show InChI InChI=1S/C16H13FN4OS/c17-11-7-5-10(6-8-11)9-21-13-4-2-1-3-12(13)14(15(21)22)19-20-16(18)23/h1-8H,9H2,(H3,18,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	7.58E+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/Q23B5XKP
					More data for this Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2 (Homo sapiens (Human))	BDBM43873 (1-[(Z)-[1-[(4-fluorophenyl)methyl]-2-oxidanylidene...) Show SMILES NC(=S)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccccc12 |w:4.3| Show InChI InChI=1S/C16H13FN4OS/c17-11-7-5-10(6-8-11)9-21-13-4-2-1-3-12(13)14(15(21)22)19-20-16(18)23/h1-8H,9H2,(H3,18,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.44E+5	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
ubiquitin-conjugating enzyme E2 N (Homo sapiens (Human))	BDBM43873 (1-[(Z)-[1-[(4-fluorophenyl)methyl]-2-oxidanylidene...) Show SMILES NC(=S)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccccc12 |w:4.3| Show InChI InChI=1S/C16H13FN4OS/c17-11-7-5-10(6-8-11)9-21-13-4-2-1-3-12(13)14(15(21)22)19-20-16(18)23/h1-8H,9H2,(H3,18,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2X34VX0
					More data for this Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2 (Homo sapiens (Human))	BDBM43873 (1-[(Z)-[1-[(4-fluorophenyl)methyl]-2-oxidanylidene...) Show SMILES NC(=S)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccccc12 |w:4.3| Show InChI InChI=1S/C16H13FN4OS/c17-11-7-5-10(6-8-11)9-21-13-4-2-1-3-12(13)14(15(21)22)19-20-16(18)23/h1-8H,9H2,(H3,18,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	7.98E+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))	BDBM43873 (1-[(Z)-[1-[(4-fluorophenyl)methyl]-2-oxidanylidene...) Show SMILES NC(=S)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccccc12 |w:4.3| Show InChI InChI=1S/C16H13FN4OS/c17-11-7-5-10(6-8-11)9-21-13-4-2-1-3-12(13)14(15(21)22)19-20-16(18)23/h1-8H,9H2,(H3,18,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.29E+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/Q2PN942B
					More data for this Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2 (Homo sapiens (Human))	BDBM43873 (1-[(Z)-[1-[(4-fluorophenyl)methyl]-2-oxidanylidene...) Show SMILES NC(=S)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccccc12 |w:4.3| Show InChI InChI=1S/C16H13FN4OS/c17-11-7-5-10(6-8-11)9-21-13-4-2-1-3-12(13)14(15(21)22)19-20-16(18)23/h1-8H,9H2,(H3,18,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.71E+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/Q2QV3JZ2
					More data for this Ligand-Target Pair