BDBM50409496 CHEMBL96781

SMILES: Fc1ccc(cc1)C(=O)CCCN1CCN(CCC2CCc3ccccc3C2=O)CC1

InChI Key: InChIKey=WGYPNYKGDVKOAN-UHFFFAOYSA-N

Data: 4 KI  2 Kd

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 6 hits for monomerid = 50409496   

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 2A (Rattus norvegicus (rat))	BDBM50409496 (CHEMBL96781) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CCC2CCc3ccccc3C2=O)CC1 Show InChI InChI=1S/C26H31FN2O2/c27-23-11-9-21(10-12-23)25(30)6-3-14-28-16-18-29(19-17-28)15-13-22-8-7-20-4-1-2-5-24(20)26(22)31/h1-2,4-5,9-12,22H,3,6-8,13-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago Curated by ChEMBL					Assay Description In vitro ability to displace [3H]ketanserin binding from 5-hydroxytryptamine 2A receptor in rat striatal membrane.				J Med Chem 42: 2774-97 (1999) Article DOI: 10.1021/jm981094e BindingDB Entry DOI: 10.7270/Q2BG2RR8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50409496 (CHEMBL96781) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CCC2CCc3ccccc3C2=O)CC1 Show InChI InChI=1S/C26H31FN2O2/c27-23-11-9-21(10-12-23)25(30)6-3-14-28-16-18-29(19-17-28)15-13-22-8-7-20-4-1-2-5-24(20)26(22)31/h1-2,4-5,9-12,22H,3,6-8,13-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Kinetic inhibition constant evaluated by measuring serotonergic activity				J Med Chem 43: 3233-43 (2000) Article DOI: 10.1021/jm000941m BindingDB Entry DOI: 10.7270/Q2QJ7M2N
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50409496 (CHEMBL96781) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CCC2CCc3ccccc3C2=O)CC1 Show InChI InChI=1S/C26H31FN2O2/c27-23-11-9-21(10-12-23)25(30)6-3-14-28-16-18-29(19-17-28)15-13-22-8-7-20-4-1-2-5-24(20)26(22)31/h1-2,4-5,9-12,22H,3,6-8,13-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago Curated by ChEMBL					Assay Description In vitro ability to displace [3H]spiperone binding from dopamine receptor D2 in rat striatal membrane.				J Med Chem 42: 2774-97 (1999) Article DOI: 10.1021/jm981094e BindingDB Entry DOI: 10.7270/Q2BG2RR8
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50409496 (CHEMBL96781) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CCC2CCc3ccccc3C2=O)CC1 Show InChI InChI=1S/C26H31FN2O2/c27-23-11-9-21(10-12-23)25(30)6-3-14-28-16-18-29(19-17-28)15-13-22-8-7-20-4-1-2-5-24(20)26(22)31/h1-2,4-5,9-12,22H,3,6-8,13-19H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago Curated by ChEMBL					Assay Description In vitro ability to displace [3H]SCH-23390 binding from Dopamine 1 (D1) receptor in rat striatal membrane.				J Med Chem 42: 2774-97 (1999) Article DOI: 10.1021/jm981094e BindingDB Entry DOI: 10.7270/Q2BG2RR8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50409496 (CHEMBL96781) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CCC2CCc3ccccc3C2=O)CC1 Show InChI InChI=1S/C26H31FN2O2/c27-23-11-9-21(10-12-23)25(30)6-3-14-28-16-18-29(19-17-28)15-13-22-8-7-20-4-1-2-5-24(20)26(22)31/h1-2,4-5,9-12,22H,3,6-8,13-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	44.7	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Negative log concentration of antagonist on 5-hydroxytryptamine 2A receptor in rat thoracic aorta				J Med Chem 45: 54-71 (2001) BindingDB Entry DOI: 10.7270/Q2KD204K
					More data for this Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B) (RAT)	BDBM50409496 (CHEMBL96781) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CCC2CCc3ccccc3C2=O)CC1 Show InChI InChI=1S/C26H31FN2O2/c27-23-11-9-21(10-12-23)25(30)6-3-14-28-16-18-29(19-17-28)15-13-22-8-7-20-4-1-2-5-24(20)26(22)31/h1-2,4-5,9-12,22H,3,6-8,13-19H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Negative log concentration of antagonist was determined on 5-hydroxytryptamine 2B receptor of Rat stomach fundus				J Med Chem 45: 54-71 (2001) BindingDB Entry DOI: 10.7270/Q2KD204K
					More data for this Ligand-Target Pair