BDBM50090772 (R)-3-(Isobutyl-propyl-amino)-chroman-5-carboxylic acid methylamide::CHEMBL420074

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

InChI Key: InChIKey=YSLFMSHDAKOHLB-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50090772   

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))	BDBM50090772 ((R)-3-(Isobutyl-propyl-amino)-chroman-5-carboxylic...) Show SMILES CCCN(CC(C)C)C1COc2cccc(C(=O)NC)c2C1 Show InChI InChI=1S/C18H28N2O2/c1-5-9-20(11-13(2)3)14-10-16-15(18(21)19-4)7-6-8-17(16)22-12-14/h6-8,13-14H,5,9-12H2,1-4H3,(H,19,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.37	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 2A (Rattus norvegicus (rat))	BDBM50090772 ((R)-3-(Isobutyl-propyl-amino)-chroman-5-carboxylic...) Show SMILES CCCN(CC(C)C)C1COc2cccc(C(=O)NC)c2C1 Show InChI InChI=1S/C18H28N2O2/c1-5-9-20(11-13(2)3)14-10-16-15(18(21)19-4)7-6-8-17(16)22-12-14/h6-8,13-14H,5,9-12H2,1-4H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>5.00E+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 5-hydroxytryptamine 2A receptor by displacement of [3H]-ketanserin from rat cortex				J Med Chem 43: 2837-50 (2000) BindingDB Entry DOI: 10.7270/Q2610ZJK
					More data for this Ligand-Target Pair