BDBM31689 1'-acetyl-6-amino-3-methyl-5-spiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]carbonitrile::1'-acetyl-6-amino-3-methyl-spiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile::1'-acetyl-6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile::6-azanyl-1'-ethanoyl-3-methyl-spiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile::MLS000034955::SMR000014520::cid_645612

SMILES: CC(=O)N1CCC2(CC1)C(C#N)C(=N)Oc1n[nH]c(C)c21

InChI Key: InChIKey=NHJAAJLJANQQKZ-UHFFFAOYSA-N

Data: 3 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 5 hits for monomerid = 31689   

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
Heat Shock 70kDa Protein 1 (Homo sapiens (Human))	BDBM31689 (1'-acetyl-6-amino-3-methyl-5-spiro[2H-pyrano[2,3-c...) Show SMILES CC(=O)N1CCC2(CC1)C(C#N)C(=N)Oc1n[nH]c(C)c21 Show InChI InChI=1S/C14H17N5O2/c1-8-11-13(18-17-8)21-12(16)10(7-15)14(11)3-5-19(6-4-14)9(2)20/h10,16H,3-6H2,1-2H3,(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S180TW
					More data for this Ligand-Target Pair
Heat Shock 70kDa Protein 1 (Homo sapiens (Human))	BDBM31689 (1'-acetyl-6-amino-3-methyl-5-spiro[2H-pyrano[2,3-c...) Show SMILES CC(=O)N1CCC2(CC1)C(C#N)C(=N)Oc1n[nH]c(C)c21 Show InChI InChI=1S/C14H17N5O2/c1-8-11-13(18-17-8)21-12(16)10(7-15)14(11)3-5-19(6-4-14)9(2)20/h10,16H,3-6H2,1-2H3,(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2RF5SF5
					More data for this Ligand-Target Pair
DNA recombination protein RecA (Mycobacterium tuberculosis H37Rv)	BDBM31689 (1'-acetyl-6-amino-3-methyl-5-spiro[2H-pyrano[2,3-c...) Show SMILES CC(=O)N1CCC2(CC1)C(C#N)C(=N)Oc1n[nH]c(C)c21 Show InChI InChI=1S/C14H17N5O2/c1-8-11-13(18-17-8)21-12(16)10(7-15)14(11)3-5-19(6-4-14)9(2)20/h10,16H,3-6H2,1-2H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2DR2SX9
					More data for this Ligand-Target Pair
DNA recombination protein RecA (Mycobacterium tuberculosis H37Rv)	BDBM31689 (1'-acetyl-6-amino-3-methyl-5-spiro[2H-pyrano[2,3-c...) Show SMILES CC(=O)N1CCC2(CC1)C(C#N)C(=N)Oc1n[nH]c(C)c21 Show InChI InChI=1S/C14H17N5O2/c1-8-11-13(18-17-8)21-12(16)10(7-15)14(11)3-5-19(6-4-14)9(2)20/h10,16H,3-6H2,1-2H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.49E+4	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2FN14NR
					More data for this Ligand-Target Pair
heat shock 70kDa protein 8 isoform 1 (Homo sapiens (Human))	BDBM31689 (1'-acetyl-6-amino-3-methyl-5-spiro[2H-pyrano[2,3-c...) Show SMILES CC(=O)N1CCC2(CC1)C(C#N)C(=N)Oc1n[nH]c(C)c21 Show InChI InChI=1S/C14H17N5O2/c1-8-11-13(18-17-8)21-12(16)10(7-15)14(11)3-5-19(6-4-14)9(2)20/h10,16H,3-6H2,1-2H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.99E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2MS3R62
					More data for this Ligand-Target Pair