BDBM50007666 CHEMBL3233432

SMILES: [H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3OCCN2c13

InChI Key: InChIKey=DLXKEWOEEPMPHX-PMACEKPBSA-N

Data: 7 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 7 hits for monomerid = 50007666   

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 (Homo sapiens (Human))	BDBM50007666 (CHEMBL3233432) Show SMILES [H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3OCCN2c13 |r| Show InChI InChI=1S/C23H25FN2O2/c24-17-8-6-16(7-9-17)21(27)4-2-11-25-12-10-20-19(15-25)18-3-1-5-22-23(18)26(20)13-14-28-22/h1,3,5-9,19-20H,2,4,10-15H2/t19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Intra-Cellular Therapies, Inc. Curated by ChEMBL					Assay Description Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells				J Med Chem 57: 2670-82 (2014) Article DOI: 10.1021/jm401958n BindingDB Entry DOI: 10.7270/Q27D2WNZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50007666 (CHEMBL3233432) Show SMILES [H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3OCCN2c13 |r| Show InChI InChI=1S/C23H25FN2O2/c24-17-8-6-16(7-9-17)21(27)4-2-11-25-12-10-20-19(15-25)18-3-1-5-22-23(18)26(20)13-14-28-22/h1,3,5-9,19-20H,2,4,10-15H2/t19-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Intra-Cellular Therapies, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from rat recombinant dopamine D2 short receptor expressed in CHO cells				J Med Chem 57: 2670-82 (2014) Article DOI: 10.1021/jm401958n BindingDB Entry DOI: 10.7270/Q27D2WNZ
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50007666 (CHEMBL3233432) Show SMILES [H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3OCCN2c13 |r| Show InChI InChI=1S/C23H25FN2O2/c24-17-8-6-16(7-9-17)21(27)4-2-11-25-12-10-20-19(15-25)18-3-1-5-22-23(18)26(20)13-14-28-22/h1,3,5-9,19-20H,2,4,10-15H2/t19-,20-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	104	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Intra-Cellular Therapies, Inc. Curated by ChEMBL					Assay Description Inhibition of adrenergic alpha1B receptor (unknown origin)				J Med Chem 57: 2670-82 (2014) Article DOI: 10.1021/jm401958n BindingDB Entry DOI: 10.7270/Q27D2WNZ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50007666 (CHEMBL3233432) Show SMILES [H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3OCCN2c13 |r| Show InChI InChI=1S/C23H25FN2O2/c24-17-8-6-16(7-9-17)21(27)4-2-11-25-12-10-20-19(15-25)18-3-1-5-22-23(18)26(20)13-14-28-22/h1,3,5-9,19-20H,2,4,10-15H2/t19-,20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	262	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Intra-Cellular Therapies, Inc. Curated by ChEMBL					Assay Description Inhibition of adrenergic alpha1A receptor (unknown origin)				J Med Chem 57: 2670-82 (2014) Article DOI: 10.1021/jm401958n BindingDB Entry DOI: 10.7270/Q27D2WNZ
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50007666 (CHEMBL3233432) Show SMILES [H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3OCCN2c13 |r| Show InChI InChI=1S/C23H25FN2O2/c24-17-8-6-16(7-9-17)21(27)4-2-11-25-12-10-20-19(15-25)18-3-1-5-22-23(18)26(20)13-14-28-22/h1,3,5-9,19-20H,2,4,10-15H2/t19-,20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Intra-Cellular Therapies, Inc. Curated by ChEMBL					Assay Description Inhibition of human dopamine D4 receptor				J Med Chem 57: 2670-82 (2014) Article DOI: 10.1021/jm401958n BindingDB Entry DOI: 10.7270/Q27D2WNZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50007666 (CHEMBL3233432) Show SMILES [H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3OCCN2c13 |r| Show InChI InChI=1S/C23H25FN2O2/c24-17-8-6-16(7-9-17)21(27)4-2-11-25-12-10-20-19(15-25)18-3-1-5-22-23(18)26(20)13-14-28-22/h1,3,5-9,19-20H,2,4,10-15H2/t19-,20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Intra-Cellular Therapies, Inc. Curated by ChEMBL					Assay Description Displacement of [125]DOI from human recombinant full length 5HT2C receptor expressed in HEK293E cells				J Med Chem 57: 2670-82 (2014) Article DOI: 10.1021/jm401958n BindingDB Entry DOI: 10.7270/Q27D2WNZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50007666 (CHEMBL3233432) Show SMILES [H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3OCCN2c13 |r| Show InChI InChI=1S/C23H25FN2O2/c24-17-8-6-16(7-9-17)21(27)4-2-11-25-12-10-20-19(15-25)18-3-1-5-22-23(18)26(20)13-14-28-22/h1,3,5-9,19-20H,2,4,10-15H2/t19-,20-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Intra-Cellular Therapies, Inc. Curated by ChEMBL					Assay Description Inhibition of human 5HT1A receptor				J Med Chem 57: 2670-82 (2014) Article DOI: 10.1021/jm401958n BindingDB Entry DOI: 10.7270/Q27D2WNZ
					More data for this Ligand-Target Pair