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SMILES: CC(C)Cn1c(N)c(C(=O)NCc2cccs2)c2nc3ccccc3nc12

InChI Key: InChIKey=QMIQLZBURIQOHA-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 30765   

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))	BDBM30765 (2-amino-1-(2-methylpropyl)-N-(thiophen-2-ylmethyl)...) Show SMILES CC(C)Cn1c(N)c(C(=O)NCc2cccs2)c2nc3ccccc3nc12 Show InChI InChI=1S/C20H21N5OS/c1-12(2)11-25-18(21)16(20(26)22-10-13-6-5-9-27-13)17-19(25)24-15-8-4-3-7-14(15)23-17/h3-9,12H,10-11,21H2,1-2H3,(H,22,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.66E+3	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/Q21N7ZG0
					More data for this Ligand-Target Pair
Streptokinase A (Streptococcus pyogenes M1 GAS)	BDBM30765 (2-amino-1-(2-methylpropyl)-N-(thiophen-2-ylmethyl)...) Show SMILES CC(C)Cn1c(N)c(C(=O)NCc2cccs2)c2nc3ccccc3nc12 Show InChI InChI=1S/C20H21N5OS/c1-12(2)11-25-18(21)16(20(26)22-10-13-6-5-9-27-13)17-19(25)24-15-8-4-3-7-14(15)23-17/h3-9,12H,10-11,21H2,1-2H3,(H,22,26)	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	3.02E+4	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2736PBV
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM30765 (2-amino-1-(2-methylpropyl)-N-(thiophen-2-ylmethyl)...) Show SMILES CC(C)Cn1c(N)c(C(=O)NCc2cccs2)c2nc3ccccc3nc12 Show InChI InChI=1S/C20H21N5OS/c1-12(2)11-25-18(21)16(20(26)22-10-13-6-5-9-27-13)17-19(25)24-15-8-4-3-7-14(15)23-17/h3-9,12H,10-11,21H2,1-2H3,(H,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.49E+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 (2008) BindingDB Entry DOI: 10.7270/Q23J3BC8
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM30765 (2-amino-1-(2-methylpropyl)-N-(thiophen-2-ylmethyl)...) Show SMILES CC(C)Cn1c(N)c(C(=O)NCc2cccs2)c2nc3ccccc3nc12 Show InChI InChI=1S/C20H21N5OS/c1-12(2)11-25-18(21)16(20(26)22-10-13-6-5-9-27-13)17-19(25)24-15-8-4-3-7-14(15)23-17/h3-9,12H,10-11,21H2,1-2H3,(H,22,26)	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	2.97E+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 Networ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2PZ576Z
					More data for this Ligand-Target Pair