BDBM50329726 CHEMBL1272017::endo-2-(2-methoxyphenyl)-N-((1R,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzo[d]oxazole-4-carboxamide

SMILES: COc1ccccc1-c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C

InChI Key: InChIKey=OZOLNJQERDKPFN-IAGOWNOFSA-N

Data: 1 KI  2 IC50

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 = 50329726   

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 3A (Homo sapiens (Human))	BDBM50329726 (CHEMBL1272017 | endo-2-(2-methoxyphenyl)-N-((1R,5R...) Show SMILES COc1ccccc1-c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:29:28:23.24.25:27.20.21| Show InChI InChI=1S/C24H27N3O3/c1-27-16-7-5-8-17(27)14-15(13-16)25-23(28)19-10-6-12-21-22(19)26-24(30-21)18-9-3-4-11-20(18)29-2/h3-4,6,9-12,15-17H,5,7-8,13-14H2,1-2H3,(H,25,28)/t16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Binding affinity to human HT3A receptor				Bioorg Med Chem Lett 20: 6538-41 (2010) Article DOI: 10.1016/j.bmcl.2010.09.038 BindingDB Entry DOI: 10.7270/Q2Z31ZVH
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50329726 (CHEMBL1272017 | endo-2-(2-methoxyphenyl)-N-((1R,5R...) Show SMILES COc1ccccc1-c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:29:28:23.24.25:27.20.21| Show InChI InChI=1S/C24H27N3O3/c1-27-16-7-5-8-17(27)14-15(13-16)25-23(28)19-10-6-12-21-22(19)26-24(30-21)18-9-3-4-11-20(18)29-2/h3-4,6,9-12,15-17H,5,7-8,13-14H2,1-2H3,(H,25,28)/t16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem Lett 20: 6538-41 (2010) Article DOI: 10.1016/j.bmcl.2010.09.038 BindingDB Entry DOI: 10.7270/Q2Z31ZVH
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50329726 (CHEMBL1272017 | endo-2-(2-methoxyphenyl)-N-((1R,5R...) Show SMILES COc1ccccc1-c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:29:28:23.24.25:27.20.21| Show InChI InChI=1S/C24H27N3O3/c1-27-16-7-5-8-17(27)14-15(13-16)25-23(28)19-10-6-12-21-22(19)26-24(30-21)18-9-3-4-11-20(18)29-2/h3-4,6,9-12,15-17H,5,7-8,13-14H2,1-2H3,(H,25,28)/t16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK cells by patch clamp technique				Bioorg Med Chem Lett 20: 6538-41 (2010) Article DOI: 10.1016/j.bmcl.2010.09.038 BindingDB Entry DOI: 10.7270/Q2Z31ZVH
					More data for this Ligand-Target Pair