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SMILES: CCc1c(C)nc2ncnn2c1NCCc1ccc(OC)cc1

InChI Key: InChIKey=MJLCBZGLWGWHSA-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 36825   

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 1 (Homo sapiens (Human))	BDBM36825 ((6-Ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-...) Show SMILES CCc1c(C)nc2ncnn2c1NCCc1ccc(OC)cc1 Show InChI InChI=1S/C17H21N5O/c1-4-15-12(2)21-17-19-11-20-22(17)16(15)18-10-9-13-5-7-14(23-3)8-6-13/h5-8,11,18H,4,9-10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.09E+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/Q25X2795
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36825 ((6-Ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-...) Show SMILES CCc1c(C)nc2ncnn2c1NCCc1ccc(OC)cc1 Show InChI InChI=1S/C17H21N5O/c1-4-15-12(2)21-17-19-11-20-22(17)16(15)18-10-9-13-5-7-14(23-3)8-6-13/h5-8,11,18H,4,9-10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	8.30E+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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36825 ((6-Ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-...) Show SMILES CCc1c(C)nc2ncnn2c1NCCc1ccc(OC)cc1 Show InChI InChI=1S/C17H21N5O/c1-4-15-12(2)21-17-19-11-20-22(17)16(15)18-10-9-13-5-7-14(23-3)8-6-13/h5-8,11,18H,4,9-10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.10E+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/Q2ZC817P
					More data for this Ligand-Target Pair
Galanin receptor type 3 (Homo sapiens (Human))	BDBM36825 ((6-Ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-...) Show SMILES CCc1c(C)nc2ncnn2c1NCCc1ccc(OC)cc1 Show InChI InChI=1S/C17H21N5O/c1-4-15-12(2)21-17-19-11-20-22(17)16(15)18-10-9-13-5-7-14(23-3)8-6-13/h5-8,11,18H,4,9-10H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q270802Q
					More data for this Ligand-Target Pair
Steroidogenic factor 1 (Homo sapiens (Human))	BDBM36825 ((6-Ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-...) Show SMILES CCc1c(C)nc2ncnn2c1NCCc1ccc(OC)cc1 Show InChI InChI=1S/C17H21N5O/c1-4-15-12(2)21-17-19-11-20-22(17)16(15)18-10-9-13-5-7-14(23-3)8-6-13/h5-8,11,18H,4,9-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.16E+4	n/a	n/a	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/Q2PR7TCX
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM36825 ((6-Ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-...) Show SMILES CCc1c(C)nc2ncnn2c1NCCc1ccc(OC)cc1 Show InChI InChI=1S/C17H21N5O/c1-4-15-12(2)21-17-19-11-20-22(17)16(15)18-10-9-13-5-7-14(23-3)8-6-13/h5-8,11,18H,4,9-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.59E+3	n/a	n/a	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/Q26Q1VNZ
					More data for this Ligand-Target Pair
Steroidogenic factor 1 (Homo sapiens (Human))	BDBM36825 ((6-Ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-...) Show SMILES CCc1c(C)nc2ncnn2c1NCCc1ccc(OC)cc1 Show InChI InChI=1S/C17H21N5O/c1-4-15-12(2)21-17-19-11-20-22(17)16(15)18-10-9-13-5-7-14(23-3)8-6-13/h5-8,11,18H,4,9-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.10E+4	n/a	n/a	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/Q2319T8T
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM36825 ((6-Ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-...) Show SMILES CCc1c(C)nc2ncnn2c1NCCc1ccc(OC)cc1 Show InChI InChI=1S/C17H21N5O/c1-4-15-12(2)21-17-19-11-20-22(17)16(15)18-10-9-13-5-7-14(23-3)8-6-13/h5-8,11,18H,4,9-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.73E+3	n/a	n/a	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/Q2TH8K3N
					More data for this Ligand-Target Pair