BDBM50218391 CHEMBL79528

SMILES: Fc1cccc(CCN2CCC(C2)NC(=O)C23CC4CC(CC(C4)C2)C3)c1

InChI Key: InChIKey=MLEAHYSIISPZEO-UHFFFAOYSA-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 = 50218391   

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
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50218391 (CHEMBL79528) Show SMILES Fc1cccc(CCN2CCC(C2)NC(=O)C23CC4CC(CC(C4)C2)C3)c1 |TLB:23:22:25:17.18.19,23:18:25:24.22.21,THB:21:22:17:25.20.19,21:20:17:24.22.23| Show InChI InChI=1S/C23H31FN2O/c24-20-3-1-2-16(11-20)4-6-26-7-5-21(15-26)25-22(27)23-12-17-8-18(13-23)10-19(9-17)14-23/h1-3,11,17-19,21H,4-10,12-15H2,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.550	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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50218391 (CHEMBL79528) Show SMILES Fc1cccc(CCN2CCC(C2)NC(=O)C23CC4CC(CC(C4)C2)C3)c1 |TLB:23:22:25:17.18.19,23:18:25:24.22.21,THB:21:22:17:25.20.19,21:20:17:24.22.23| Show InChI InChI=1S/C23H31FN2O/c24-20-3-1-2-16(11-20)4-6-26-7-5-21(15-26)25-22(27)23-12-17-8-18(13-23)10-19(9-17)14-23/h1-3,11,17-19,21H,4-10,12-15H2,(H,25,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	14	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
Adrenergic receptor alpha-1 (Homo sapiens (Human))	BDBM50218391 (CHEMBL79528) Show SMILES Fc1cccc(CCN2CCC(C2)NC(=O)C23CC4CC(CC(C4)C2)C3)c1 |TLB:23:22:25:17.18.19,23:18:25:24.22.21,THB:21:22:17:25.20.19,21:20:17:24.22.23| Show InChI InChI=1S/C23H31FN2O/c24-20-3-1-2-16(11-20)4-6-26-7-5-21(15-26)25-22(27)23-12-17-8-18(13-23)10-19(9-17)14-23/h1-3,11,17-19,21H,4-10,12-15H2,(H,25,27)	MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Welfide Corporation Curated by ChEMBL					Assay Description 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