BDBM50024303 CHEMBL2112984

SMILES: [H][C@@]12CNc3ccccc3C1=NO[C@H]2CN1CCN(Cc2ccc3ccccc3c2)CC1

InChI Key: InChIKey=WUSIUKLVFNJEHL-ZCYQVOJMSA-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 = 50024303   

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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50024303 (CHEMBL2112984) Show SMILES [H][C@@]12CNc3ccccc3C1=NO[C@H]2CN1CCN(Cc2ccc3ccccc3c2)CC1 |c:12| Show InChI InChI=1S/C26H28N4O/c1-2-6-21-15-19(9-10-20(21)5-1)17-29-11-13-30(14-12-29)18-25-23-16-27-24-8-4-3-7-22(24)26(23)28-31-25/h1-10,15,23,25,27H,11-14,16-18H2/t23-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity for serotonin transporter				J Med Chem 48: 2054-71 (2005) Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50024303 (CHEMBL2112984) Show SMILES [H][C@@]12CNc3ccccc3C1=NO[C@H]2CN1CCN(Cc2ccc3ccccc3c2)CC1 |c:12| Show InChI InChI=1S/C26H28N4O/c1-2-6-21-15-19(9-10-20(21)5-1)17-29-11-13-30(14-12-29)18-25-23-16-27-24-8-4-3-7-22(24)26(23)28-31-25/h1-10,15,23,25,27H,11-14,16-18H2/t23-,25-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity for alpha-2A adrenergic receptor				J Med Chem 48: 2054-71 (2005) Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50024303 (CHEMBL2112984) Show SMILES [H][C@@]12CNc3ccccc3C1=NO[C@H]2CN1CCN(Cc2ccc3ccccc3c2)CC1 |c:12| Show InChI InChI=1S/C26H28N4O/c1-2-6-21-15-19(9-10-20(21)5-1)17-29-11-13-30(14-12-29)18-25-23-16-27-24-8-4-3-7-22(24)26(23)28-31-25/h1-10,15,23,25,27H,11-14,16-18H2/t23-,25-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity for alpha-2C adrenergic receptor				J Med Chem 48: 2054-71 (2005) Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC
					More data for this Ligand-Target Pair