null

SMILES: NC(=O)C1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)NC1CCCCC1

InChI Key: InChIKey=ZARNIAJBXGUBFV-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 31009   

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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM31009 (1-[3-[1-cyano-2-(cyclohexylamino)-2-keto-ethyl]qui...) Show SMILES NC(=O)C1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H28N6O2/c24-14-17(23(31)26-16-6-2-1-3-7-16)20-22(28-19-9-5-4-8-18(19)27-20)29-12-10-15(11-13-29)21(25)30/h4-5,8-9,15-17H,1-3,6-7,10-13H2,(H2,25,30)(H,26,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.00E+4	n/a	n/a	7.4	23
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2WW7G03
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1E (Homo sapiens (Human))	BDBM31009 (1-[3-[1-cyano-2-(cyclohexylamino)-2-keto-ethyl]qui...) Show SMILES NC(=O)C1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H28N6O2/c24-14-17(23(31)26-16-6-2-1-3-7-16)20-22(28-19-9-5-4-8-18(19)27-20)29-12-10-15(11-13-29)21(25)30/h4-5,8-9,15-17H,1-3,6-7,10-13H2,(H2,25,30)(H,26,31)	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	5.00E+4	n/a	n/a	7.4	23
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2Q52MZM
					More data for this Ligand-Target Pair
Endoribonuclease toxin MazF (Escherichia coli str. K-12 substr. MG1655)	BDBM31009 (1-[3-[1-cyano-2-(cyclohexylamino)-2-keto-ethyl]qui...) Show SMILES NC(=O)C1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H28N6O2/c24-14-17(23(31)26-16-6-2-1-3-7-16)20-22(28-19-9-5-4-8-18(19)27-20)29-12-10-15(11-13-29)21(25)30/h4-5,8-9,15-17H,1-3,6-7,10-13H2,(H2,25,30)(H,26,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.61E+4	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, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2TB15DB
					More data for this Ligand-Target Pair
Endoribonuclease toxin MazF (Escherichia coli str. K-12 substr. MG1655)	BDBM31009 (1-[3-[1-cyano-2-(cyclohexylamino)-2-keto-ethyl]qui...) Show SMILES NC(=O)C1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H28N6O2/c24-14-17(23(31)26-16-6-2-1-3-7-16)20-22(28-19-9-5-4-8-18(19)27-20)29-12-10-15(11-13-29)21(25)30/h4-5,8-9,15-17H,1-3,6-7,10-13H2,(H2,25,30)(H,26,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.90E+4	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, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2Z31X54
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM31009 (1-[3-[1-cyano-2-(cyclohexylamino)-2-keto-ethyl]qui...) Show SMILES NC(=O)C1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H28N6O2/c24-14-17(23(31)26-16-6-2-1-3-7-16)20-22(28-19-9-5-4-8-18(19)27-20)29-12-10-15(11-13-29)21(25)30/h4-5,8-9,15-17H,1-3,6-7,10-13H2,(H2,25,30)(H,26,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description External Assay ID: S1P3_EC50_CS_5HT1e_Agonist Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2PN941W
					More data for this Ligand-Target Pair