BDBM38875 2-(5-spiro[3H-benzimidazole-2,1'-cyclohexane]ylidene)propanedinitrile::2-spiro[3H-benzimidazole-2,1'-cyclohexane]-5-ylidenemalononitrile::2-spiro[3H-benzimidazole-2,1'-cyclohexane]-5-ylidenepropanedinitrile::MLS000038588::SMR000038412::cid_657611

SMILES: N#CC(C#N)=c1ccc2=NC3(CCCCC3)Nc2c1

InChI Key: InChIKey=WFPTWGXJURKSDH-UHFFFAOYSA-N

Data: 10 IC50

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 10 hits for monomerid = 38875   

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))	BDBM38875 (2-(5-spiro[3H-benzimidazole-2,1'-cyclohexane]ylide...) Show SMILES N#CC(C#N)=c1ccc2=NC3(CCCCC3)Nc2c1 |t:8,(7.69,6.11,;6.92,4.78,;6.16,3.44,;4.62,3.43,;3.08,3.43,;6.94,2.11,;8.54,2.11,;9.33,.71,;8.51,-.66,;8.98,-2.13,;7.74,-3.03,;9.07,-3.8,;9.07,-5.34,;7.74,-6.11,;6.4,-5.34,;6.4,-3.8,;6.49,-2.13,;6.97,-.66,;6.14,.71,)| Show InChI InChI=1S/C15H14N4/c16-9-12(10-17)11-4-5-13-14(8-11)19-15(18-13)6-2-1-3-7-15/h4-5,8,19H,1-3,6-7H2	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	7.53E+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 (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
Steroidogenic Factor 1 (Homo sapiens (Human))	BDBM38875 (2-(5-spiro[3H-benzimidazole-2,1'-cyclohexane]ylide...) Show SMILES N#CC(C#N)=c1ccc2=NC3(CCCCC3)Nc2c1 |t:8,(7.69,6.11,;6.92,4.78,;6.16,3.44,;4.62,3.43,;3.08,3.43,;6.94,2.11,;8.54,2.11,;9.33,.71,;8.51,-.66,;8.98,-2.13,;7.74,-3.03,;9.07,-3.8,;9.07,-5.34,;7.74,-6.11,;6.4,-5.34,;6.4,-3.8,;6.49,-2.13,;6.97,-.66,;6.14,.71,)| Show InChI InChI=1S/C15H14N4/c16-9-12(10-17)11-4-5-13-14(8-11)19-15(18-13)6-2-1-3-7-15/h4-5,8,19H,1-3,6-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	9.07E+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 (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
Nuclear receptor ROR-alpha (Homo sapiens (Human))	BDBM38875 (2-(5-spiro[3H-benzimidazole-2,1'-cyclohexane]ylide...) Show SMILES N#CC(C#N)=c1ccc2=NC3(CCCCC3)Nc2c1 |t:8,(7.69,6.11,;6.92,4.78,;6.16,3.44,;4.62,3.43,;3.08,3.43,;6.94,2.11,;8.54,2.11,;9.33,.71,;8.51,-.66,;8.98,-2.13,;7.74,-3.03,;9.07,-3.8,;9.07,-5.34,;7.74,-6.11,;6.4,-5.34,;6.4,-3.8,;6.49,-2.13,;6.97,-.66,;6.14,.71,)| Show InChI InChI=1S/C15H14N4/c16-9-12(10-17)11-4-5-13-14(8-11)19-15(18-13)6-2-1-3-7-15/h4-5,8,19H,1-3,6-7H2	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	7.29E+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 (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/Q26Q1VNZ
					More data for this Ligand-Target Pair
Steroidogenic Factor 1 (Homo sapiens (Human))	BDBM38875 (2-(5-spiro[3H-benzimidazole-2,1'-cyclohexane]ylide...) Show SMILES N#CC(C#N)=c1ccc2=NC3(CCCCC3)Nc2c1 |t:8,(7.69,6.11,;6.92,4.78,;6.16,3.44,;4.62,3.43,;3.08,3.43,;6.94,2.11,;8.54,2.11,;9.33,.71,;8.51,-.66,;8.98,-2.13,;7.74,-3.03,;9.07,-3.8,;9.07,-5.34,;7.74,-6.11,;6.4,-5.34,;6.4,-3.8,;6.49,-2.13,;6.97,-.66,;6.14,.71,)| Show InChI InChI=1S/C15H14N4/c16-9-12(10-17)11-4-5-13-14(8-11)19-15(18-13)6-2-1-3-7-15/h4-5,8,19H,1-3,6-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.01E+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/Q2319T8T
					More data for this Ligand-Target Pair
Chain E, Fragment Double-D From Human Fibrin (Homo sapiens (Human))	BDBM38875 (2-(5-spiro[3H-benzimidazole-2,1'-cyclohexane]ylide...) Show SMILES N#CC(C#N)=c1ccc2=NC3(CCCCC3)Nc2c1 |t:8,(7.69,6.11,;6.92,4.78,;6.16,3.44,;4.62,3.43,;3.08,3.43,;6.94,2.11,;8.54,2.11,;9.33,.71,;8.51,-.66,;8.98,-2.13,;7.74,-3.03,;9.07,-3.8,;9.07,-5.34,;7.74,-6.11,;6.4,-5.34,;6.4,-3.8,;6.49,-2.13,;6.97,-.66,;6.14,.71,)| Show InChI InChI=1S/C15H14N4/c16-9-12(10-17)11-4-5-13-14(8-11)19-15(18-13)6-2-1-3-7-15/h4-5,8,19H,1-3,6-7H2	PDB MMDB Reactome pathway B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	8.33E+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 (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Harvard Medical School/Massachuset...				PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2R49PFB
					More data for this Ligand-Target Pair
TPA: Essential protein of the mitochondrial intermembrane space (Saccharomyces cerevisiae S288c)	BDBM38875 (2-(5-spiro[3H-benzimidazole-2,1'-cyclohexane]ylide...) Show SMILES N#CC(C#N)=c1ccc2=NC3(CCCCC3)Nc2c1 |t:8,(7.69,6.11,;6.92,4.78,;6.16,3.44,;4.62,3.43,;3.08,3.43,;6.94,2.11,;8.54,2.11,;9.33,.71,;8.51,-.66,;8.98,-2.13,;7.74,-3.03,;9.07,-3.8,;9.07,-5.34,;7.74,-6.11,;6.4,-5.34,;6.4,-3.8,;6.49,-2.13,;6.97,-.66,;6.14,.71,)| Show InChI InChI=1S/C15H14N4/c16-9-12(10-17)11-4-5-13-14(8-11)19-15(18-13)6-2-1-3-7-15/h4-5,8,19H,1-3,6-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	3.05E+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 (2010) BindingDB Entry DOI: 10.7270/Q2F18X6W
					More data for this Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8 (Homo sapiens (Human))	BDBM38875 (2-(5-spiro[3H-benzimidazole-2,1'-cyclohexane]ylide...) Show SMILES N#CC(C#N)=c1ccc2=NC3(CCCCC3)Nc2c1 |t:8,(7.69,6.11,;6.92,4.78,;6.16,3.44,;4.62,3.43,;3.08,3.43,;6.94,2.11,;8.54,2.11,;9.33,.71,;8.51,-.66,;8.98,-2.13,;7.74,-3.03,;9.07,-3.8,;9.07,-5.34,;7.74,-6.11,;6.4,-5.34,;6.4,-3.8,;6.49,-2.13,;6.97,-.66,;6.14,.71,)| Show InChI InChI=1S/C15H14N4/c16-9-12(10-17)11-4-5-13-14(8-11)19-15(18-13)6-2-1-3-7-15/h4-5,8,19H,1-3,6-7H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	3.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2P849HJ
					More data for this Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8 (Homo sapiens (Human))	BDBM38875 (2-(5-spiro[3H-benzimidazole-2,1'-cyclohexane]ylide...) Show SMILES N#CC(C#N)=c1ccc2=NC3(CCCCC3)Nc2c1 |t:8,(7.69,6.11,;6.92,4.78,;6.16,3.44,;4.62,3.43,;3.08,3.43,;6.94,2.11,;8.54,2.11,;9.33,.71,;8.51,-.66,;8.98,-2.13,;7.74,-3.03,;9.07,-3.8,;9.07,-5.34,;7.74,-6.11,;6.4,-5.34,;6.4,-3.8,;6.49,-2.13,;6.97,-.66,;6.14,.71,)| Show InChI InChI=1S/C15H14N4/c16-9-12(10-17)11-4-5-13-14(8-11)19-15(18-13)6-2-1-3-7-15/h4-5,8,19H,1-3,6-7H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	3.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2JM2870
					More data for this Ligand-Target Pair
Chain E, Fragment Double-D From Human Fibrin (Homo sapiens (Human))	BDBM38875 (2-(5-spiro[3H-benzimidazole-2,1'-cyclohexane]ylide...) Show SMILES N#CC(C#N)=c1ccc2=NC3(CCCCC3)Nc2c1 |t:8,(7.69,6.11,;6.92,4.78,;6.16,3.44,;4.62,3.43,;3.08,3.43,;6.94,2.11,;8.54,2.11,;9.33,.71,;8.51,-.66,;8.98,-2.13,;7.74,-3.03,;9.07,-3.8,;9.07,-5.34,;7.74,-6.11,;6.4,-5.34,;6.4,-3.8,;6.49,-2.13,;6.97,-.66,;6.14,.71,)| Show InChI InChI=1S/C15H14N4/c16-9-12(10-17)11-4-5-13-14(8-11)19-15(18-13)6-2-1-3-7-15/h4-5,8,19H,1-3,6-7H2	PDB MMDB Reactome pathway B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.13E+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 (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Harvard Medical School/Massachuset...				PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2VX0F59
					More data for this Ligand-Target Pair
neutrophil cytosolic factor 1 (Homo sapiens (Human))	BDBM38875 (2-(5-spiro[3H-benzimidazole-2,1'-cyclohexane]ylide...) Show SMILES N#CC(C#N)=c1ccc2=NC3(CCCCC3)Nc2c1 |t:8,(7.69,6.11,;6.92,4.78,;6.16,3.44,;4.62,3.43,;3.08,3.43,;6.94,2.11,;8.54,2.11,;9.33,.71,;8.51,-.66,;8.98,-2.13,;7.74,-3.03,;9.07,-3.8,;9.07,-5.34,;7.74,-6.11,;6.4,-5.34,;6.4,-3.8,;6.49,-2.13,;6.97,-.66,;6.14,.71,)| Show InChI InChI=1S/C15H14N4/c16-9-12(10-17)11-4-5-13-14(8-11)19-15(18-13)6-2-1-3-7-15/h4-5,8,19H,1-3,6-7H2	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2M90723
					More data for this Ligand-Target Pair