BDBM50218390 CHEMBL311278

SMILES: O=C(NC1CCN(Cc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=DQGJCELNGPAFAU-UHFFFAOYSA-N

Data: 2 KI  1 IC50

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 = 50218390   

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))	BDBM50218390 (CHEMBL311278) Show SMILES O=C(NC1CCN(Cc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 |TLB:18:19:23:16.17.22,THB:20:19:16:23.21.22,20:21:16:24.19.18,18:17:23:24.19.20| Show InChI InChI=1S/C22H30N2O/c25-21(22-11-17-8-18(12-22)10-19(9-17)13-22)23-20-6-7-24(15-20)14-16-4-2-1-3-5-16/h1-5,17-20H,6-15H2,(H,23,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Welfide Corporation Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 1A receptor from striata of wistar rats by [3H]- 8-OH -DPAT displacement.				Bioorg Med Chem Lett 10: 2457-61 (2001) BindingDB Entry DOI: 10.7270/Q2VT1SN2
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50218390 (CHEMBL311278) Show SMILES O=C(NC1CCN(Cc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 |TLB:18:19:23:16.17.22,THB:20:19:16:23.21.22,20:21:16:24.19.18,18:17:23:24.19.20| Show InChI InChI=1S/C22H30N2O/c25-21(22-11-17-8-18(12-22)10-19(9-17)13-22)23-20-6-7-24(15-20)14-16-4-2-1-3-5-16/h1-5,17-20H,6-15H2,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Welfide Corporation Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 2 receptor from striata wistar rats by [3H]ketanserin displacement.				Bioorg Med Chem Lett 10: 2457-61 (2001) BindingDB Entry DOI: 10.7270/Q2VT1SN2
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-1 (Homo sapiens (Human))	BDBM50218390 (CHEMBL311278) Show SMILES O=C(NC1CCN(Cc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 |TLB:18:19:23:16.17.22,THB:20:19:16:23.21.22,20:21:16:24.19.18,18:17:23:24.19.20| Show InChI InChI=1S/C22H30N2O/c25-21(22-11-17-8-18(12-22)10-19(9-17)13-22)23-20-6-7-24(15-20)14-16-4-2-1-3-5-16/h1-5,17-20H,6-15H2,(H,23,25)	MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Welfide Corporation Curated by ChEMBL					Assay Description The compound was evaluated for the ability to displace [3H]prazosin binding to Alpha-1 adrenergic receptor				Bioorg Med Chem Lett 10: 2457-61 (2001) BindingDB Entry DOI: 10.7270/Q2VT1SN2
					More data for this Ligand-Target Pair