BDBM70277 2-[(3-Chloro-phenyl)-(3-hydroxy-5-propyl-1H-pyrazol-4-yl)-methyl]-malononitrile::2-[(3-chlorophenyl)-(3-keto-5-propyl-3-pyrazolin-4-yl)methyl]malononitrile::2-[(3-chlorophenyl)-(3-oxidanylidene-5-propyl-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile::2-[(3-chlorophenyl)-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile::MLS000075275::SMR000014547::cid_653608

SMILES: CCCc1[nH][nH]c(=O)c1C(C(C#N)C#N)c1cccc(Cl)c1

InChI Key: InChIKey=CKIGTNWCDOXXDZ-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 70277   

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
Protein RecA (Mycobacterium tuberculosis H37Rv)	BDBM70277 (2-[(3-Chloro-phenyl)-(3-hydroxy-5-propyl-1H-pyrazo...) Show SMILES CCCc1[nH][nH]c(=O)c1C(C(C#N)C#N)c1cccc(Cl)c1 Show InChI InChI=1S/C16H13ClN4O/c1-2-4-13-15(16(22)21-20-13)14(11(8-18)9-19)10-5-3-6-12(17)7-10/h3,5-7,11,14H,2,4H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	755	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
Protein RecA (Mycobacterium tuberculosis H37Rv)	BDBM70277 (2-[(3-Chloro-phenyl)-(3-hydroxy-5-propyl-1H-pyrazo...) Show SMILES CCCc1[nH][nH]c(=O)c1C(C(C#N)C#N)c1cccc(Cl)c1 Show InChI InChI=1S/C16H13ClN4O/c1-2-4-13-15(16(22)21-20-13)14(11(8-18)9-19)10-5-3-6-12(17)7-10/h3,5-7,11,14H,2,4H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.41E+3	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