BDBM50090079 CHEMBL3581244

SMILES: [H][C@@]12Cc3cc(OCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23

InChI Key: InChIKey=ZOBIUMDGKNIQPA-INIZCTEOSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50090079   

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 7 (Homo sapiens (Human))	BDBM50090079 (CHEMBL3581244) Show SMILES [H][C@@]12Cc3cc(OCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r| Show InChI InChI=1S/C22H27NO4/c1-6-27-18-11-14-9-16-20-13(7-8-23(16)2)10-19(25-4)22(26-5)21(20)15(14)12-17(18)24-3/h10-12,16H,6-9H2,1-5H3/t16-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in HEK cell membranes by radioligand binding assay				J Nat Prod 78: 722-9 (2015) Article DOI: 10.1021/np500893h BindingDB Entry DOI: 10.7270/Q23B61WB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50090079 (CHEMBL3581244) Show SMILES [H][C@@]12Cc3cc(OCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r| Show InChI InChI=1S/C22H27NO4/c1-6-27-18-11-14-9-16-20-13(7-8-23(16)2)10-19(25-4)22(26-5)21(20)15(14)12-17(18)24-3/h10-12,16H,6-9H2,1-5H3/t16-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	506	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]Way100635 from human recombinant 5-HT1A receptor expressed in CHO cell membranes by radioligand binding assay				J Nat Prod 78: 722-9 (2015) Article DOI: 10.1021/np500893h BindingDB Entry DOI: 10.7270/Q23B61WB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50090079 (CHEMBL3581244) Show SMILES [H][C@@]12Cc3cc(OCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r| Show InChI InChI=1S/C22H27NO4/c1-6-27-18-11-14-9-16-20-13(7-8-23(16)2)10-19(25-4)22(26-5)21(20)15(14)12-17(18)24-3/h10-12,16H,6-9H2,1-5H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	818	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
City University of New York Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in HEKT cell membranes by radioligand binding assay				J Nat Prod 78: 722-9 (2015) Article DOI: 10.1021/np500893h BindingDB Entry DOI: 10.7270/Q23B61WB
					More data for this Ligand-Target Pair