BDBM50090771 (R)-1-[3-(Isopropyl-propyl-amino)-chroman-5-yl]-ethanone::(S)-1-[3-(Isopropyl-propyl-amino)-chroman-5-yl]-ethanone::CHEMBL97398

SMILES: CCCN(C(C)C)C1COc2cccc(C(C)=O)c2C1

InChI Key: InChIKey=ZYESZLRISGYBQK-UHFFFAOYSA-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 = 50090771   

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 (Rattus norvegicus (rat))	BDBM50090771 ((R)-1-[3-(Isopropyl-propyl-amino)-chroman-5-yl]-et...) Show SMILES CCCN(C(C)C)C1COc2cccc(C(C)=O)c2C1 Show InChI InChI=1S/C17H25NO2/c1-5-9-18(12(2)3)14-10-16-15(13(4)19)7-6-8-17(16)20-11-14/h6-8,12,14H,5,9-11H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Södertälje Curated by ChEMBL					Assay Description In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...				J Med Chem 43: 2837-50 (2000) BindingDB Entry DOI: 10.7270/Q2610ZJK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50090771 ((R)-1-[3-(Isopropyl-propyl-amino)-chroman-5-yl]-et...) Show SMILES CCCN(C(C)C)C1COc2cccc(C(C)=O)c2C1 Show InChI InChI=1S/C17H25NO2/c1-5-9-18(12(2)3)14-10-16-15(13(4)19)7-6-8-17(16)20-11-14/h6-8,12,14H,5,9-11H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	11.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Södertälje Curated by ChEMBL					Assay Description In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...				J Med Chem 43: 2837-50 (2000) BindingDB Entry DOI: 10.7270/Q2610ZJK
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50090771 ((R)-1-[3-(Isopropyl-propyl-amino)-chroman-5-yl]-et...) Show SMILES CCCN(C(C)C)C1COc2cccc(C(C)=O)c2C1 Show InChI InChI=1S/C17H25NO2/c1-5-9-18(12(2)3)14-10-16-15(13(4)19)7-6-8-17(16)20-11-14/h6-8,12,14H,5,9-11H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.01E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Södertälje Curated by ChEMBL					Assay Description In vitro binding affinity at human cloned Dopamine receptor D2A by measuring its ability to displace [3H]-raclopride from D2A receptor expressed in m...				J Med Chem 43: 2837-50 (2000) BindingDB Entry DOI: 10.7270/Q2610ZJK
					More data for this Ligand-Target Pair