null

SMILES: Cc1cccn2c1nc1n(CCCn3ccnc3)c(=N)c(cc1c2=O)C(=O)NCCc1ccccc1

InChI Key: InChIKey=RDTGAUNECHODQB-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 41668   

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
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM41668 (1-(3-imidazol-1-ylpropyl)-2-imino-10-methyl-5-oxo-...) Show SMILES Cc1cccn2c1nc1n(CCCn3ccnc3)c(=N)c(cc1c2=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C27H27N7O2/c1-19-7-5-14-34-24(19)31-25-22(27(34)36)17-21(26(35)30-11-10-20-8-3-2-4-9-20)23(28)33(25)15-6-13-32-16-12-29-18-32/h2-5,7-9,12,14,16-18,28H,6,10-11,13,15H2,1H3,(H,30,35)	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	4.55E+3	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/Q26D5RD0
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM41668 (1-(3-imidazol-1-ylpropyl)-2-imino-10-methyl-5-oxo-...) Show SMILES Cc1cccn2c1nc1n(CCCn3ccnc3)c(=N)c(cc1c2=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C27H27N7O2/c1-19-7-5-14-34-24(19)31-25-22(27(34)36)17-21(26(35)30-11-10-20-8-3-2-4-9-20)23(28)33(25)15-6-13-32-16-12-29-18-32/h2-5,7-9,12,14,16-18,28H,6,10-11,13,15H2,1H3,(H,30,35)	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	1.02E+4	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/Q2902257
					More data for this Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (Homo sapiens (Human))	BDBM41668 (1-(3-imidazol-1-ylpropyl)-2-imino-10-methyl-5-oxo-...) Show SMILES Cc1cccn2c1nc1n(CCCn3ccnc3)c(=N)c(cc1c2=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C27H27N7O2/c1-19-7-5-14-34-24(19)31-25-22(27(34)36)17-21(26(35)30-11-10-20-8-3-2-4-9-20)23(28)33(25)15-6-13-32-16-12-29-18-32/h2-5,7-9,12,14,16-18,28H,6,10-11,13,15H2,1H3,(H,30,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2JD4VDZ
					More data for this Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (Homo sapiens (Human))	BDBM41668 (1-(3-imidazol-1-ylpropyl)-2-imino-10-methyl-5-oxo-...) Show SMILES Cc1cccn2c1nc1n(CCCn3ccnc3)c(=N)c(cc1c2=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C27H27N7O2/c1-19-7-5-14-34-24(19)31-25-22(27(34)36)17-21(26(35)30-11-10-20-8-3-2-4-9-20)23(28)33(25)15-6-13-32-16-12-29-18-32/h2-5,7-9,12,14,16-18,28H,6,10-11,13,15H2,1H3,(H,30,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.71E+4	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/Q2GM85XC
					More data for this Ligand-Target Pair
dTDP-4-dehydrorhamnose 3,5-epimerase (Mycobacterium tuberculosis H37Rv)	BDBM41668 (1-(3-imidazol-1-ylpropyl)-2-imino-10-methyl-5-oxo-...) Show SMILES Cc1cccn2c1nc1n(CCCn3ccnc3)c(=N)c(cc1c2=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C27H27N7O2/c1-19-7-5-14-34-24(19)31-25-22(27(34)36)17-21(26(35)30-11-10-20-8-3-2-4-9-20)23(28)33(25)15-6-13-32-16-12-29-18-32/h2-5,7-9,12,14,16-18,28H,6,10-11,13,15H2,1H3,(H,30,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Michael McNeil, Colorado State Universi...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2TD9VRT
					More data for this Ligand-Target Pair