BDBM39112 2-[(4-amino-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)acetamide::2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)acetamide::2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)acetamide::2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)acetamide::2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)ethanamide::MLS000088958::SMR000073222::cid_2192997

SMILES: Nc1cc(=O)[nH]c(SCC(=O)Nc2sc3CCCCCCc3c2C#N)n1

InChI Key: InChIKey=ZSJZMRMJGIXWMO-UHFFFAOYSA-N

Data: 2 IC50  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 4 hits for monomerid = 39112   

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
Nuclear receptor ROR-alpha (Homo sapiens (Human))	BDBM39112 (2-[(4-amino-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]-...) Show SMILES Nc1cc(=O)[nH]c(SCC(=O)Nc2sc3CCCCCCc3c2C#N)n1 Show InChI InChI=1S/C17H19N5O2S2/c18-8-11-10-5-3-1-2-4-6-12(10)26-16(11)21-15(24)9-25-17-20-13(19)7-14(23)22-17/h7H,1-6,9H2,(H,21,24)(H3,19,20,22,23)	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.63E+4	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 (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2 (Homo sapiens (Human))	BDBM39112 (2-[(4-amino-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]-...) Show SMILES Nc1cc(=O)[nH]c(SCC(=O)Nc2sc3CCCCCCc3c2C#N)n1 Show InChI InChI=1S/C17H19N5O2S2/c18-8-11-10-5-3-1-2-4-6-12(10)26-16(11)21-15(24)9-25-17-20-13(19)7-14(23)22-17/h7H,1-6,9H2,(H,21,24)(H3,19,20,22,23)	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	2.33E+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/Q2M32T6M
					More data for this Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2 (Homo sapiens (Human))	BDBM39112 (2-[(4-amino-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]-...) Show SMILES Nc1cc(=O)[nH]c(SCC(=O)Nc2sc3CCCCCCc3c2C#N)n1 Show InChI InChI=1S/C17H19N5O2S2/c18-8-11-10-5-3-1-2-4-6-12(10)26-16(11)21-15(24)9-25-17-20-13(19)7-14(23)22-17/h7H,1-6,9H2,(H,21,24)(H3,19,20,22,23)	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	461	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
Steroidogenic Factor 1 (Homo sapiens (Human))	BDBM39112 (2-[(4-amino-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]-...) Show SMILES Nc1cc(=O)[nH]c(SCC(=O)Nc2sc3CCCCCCc3c2C#N)n1 Show InChI InChI=1S/C17H19N5O2S2/c18-8-11-10-5-3-1-2-4-6-12(10)26-16(11)21-15(24)9-25-17-20-13(19)7-14(23)22-17/h7H,1-6,9H2,(H,21,24)(H3,19,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.46E+4	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 (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2PR7TCX
					More data for this Ligand-Target Pair