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SMILES: CC(C)Cc1ccnc2N3CCNC[C@H]3CCc12

InChI Key: InChIKey=FFLMKLHRNAKIDD-CYBMUJFWSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 472931   

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 2C (Homo sapiens (Human))	BDBM472931 ((R)-4-isobutyl-6,6a,7,8,9,10-hexahydro-5H- pyrazin...) Show SMILES CC(C)Cc1ccnc2N3CCNC[C@H]3CCc12 |r| Show InChI InChI=1S/C15H23N3/c1-11(2)9-12-5-6-17-15-14(12)4-3-13-10-16-7-8-18(13)15/h5-6,11,13,16H,3-4,7-10H2,1-2H3/t13-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM472931 ((R)-4-isobutyl-6,6a,7,8,9,10-hexahydro-5H- pyrazin...) Show SMILES CC(C)Cc1ccnc2N3CCNC[C@H]3CCc12 |r| Show InChI InChI=1S/C15H23N3/c1-11(2)9-12-5-6-17-15-14(12)4-3-13-10-16-7-8-18(13)15/h5-6,11,13,16H,3-4,7-10H2,1-2H3/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM472931 ((R)-4-isobutyl-6,6a,7,8,9,10-hexahydro-5H- pyrazin...) Show SMILES CC(C)Cc1ccnc2N3CCNC[C@H]3CCc12 |r| Show InChI InChI=1S/C15H23N3/c1-11(2)9-12-5-6-17-15-14(12)4-3-13-10-16-7-8-18(13)15/h5-6,11,13,16H,3-4,7-10H2,1-2H3/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	28.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description Radioligand binding assays were performed using the commercially available 5-HT2 receptor agonist [125I]DOI as the radioligand and nonspecific bindin...				US Patent US10836764 (2020)
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM472931 ((R)-4-isobutyl-6,6a,7,8,9,10-hexahydro-5H- pyrazin...) Show SMILES CC(C)Cc1ccnc2N3CCNC[C@H]3CCc12 |r| Show InChI InChI=1S/C15H23N3/c1-11(2)9-12-5-6-17-15-14(12)4-3-13-10-16-7-8-18(13)15/h5-6,11,13,16H,3-4,7-10H2,1-2H3/t13-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM472931 ((R)-4-isobutyl-6,6a,7,8,9,10-hexahydro-5H- pyrazin...) Show SMILES CC(C)Cc1ccnc2N3CCNC[C@H]3CCc12 |r| Show InChI InChI=1S/C15H23N3/c1-11(2)9-12-5-6-17-15-14(12)4-3-13-10-16-7-8-18(13)15/h5-6,11,13,16H,3-4,7-10H2,1-2H3/t13-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description Radioligand binding assays were performed using the commercially available 5-HT2 receptor agonist [125I]DOI as the radioligand and nonspecific bindin...				US Patent US10836764 (2020)
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM472931 ((R)-4-isobutyl-6,6a,7,8,9,10-hexahydro-5H- pyrazin...) Show SMILES CC(C)Cc1ccnc2N3CCNC[C@H]3CCc12 |r| Show InChI InChI=1S/C15H23N3/c1-11(2)9-12-5-6-17-15-14(12)4-3-13-10-16-7-8-18(13)15/h5-6,11,13,16H,3-4,7-10H2,1-2H3/t13-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	587	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. US Patent					Assay Description Radioligand binding assays were performed using the commercially available 5-HT2 receptor agonist [125I]DOI as the radioligand and nonspecific bindin...				US Patent US10836764 (2020)
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM472931 ((R)-4-isobutyl-6,6a,7,8,9,10-hexahydro-5H- pyrazin...) Show SMILES CC(C)Cc1ccnc2N3CCNC[C@H]3CCc12 |r| Show InChI InChI=1S/C15H23N3/c1-11(2)9-12-5-6-17-15-14(12)4-3-13-10-16-7-8-18(13)15/h5-6,11,13,16H,3-4,7-10H2,1-2H3/t13-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	0.398	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM472931 ((R)-4-isobutyl-6,6a,7,8,9,10-hexahydro-5H- pyrazin...) Show SMILES CC(C)Cc1ccnc2N3CCNC[C@H]3CCc12 |r| Show InChI InChI=1S/C15H23N3/c1-11(2)9-12-5-6-17-15-14(12)4-3-13-10-16-7-8-18(13)15/h5-6,11,13,16H,3-4,7-10H2,1-2H3/t13-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	316	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair