BDBM50064552 (2,3-Dihydro-indol-1-yl)-{3-[4-(2-isopropoxy-phenyl)-piperazin-1-ylmethyl]-phenyl}-methanone::CHEMBL61440

SMILES: CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCc3ccccc23)CC1

InChI Key: InChIKey=CBLUNKVNKSMVMO-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50064552   

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
Adrenergic receptor alpha-1 (Homo sapiens (Human))	BDBM50064552 ((2,3-Dihydro-indol-1-yl)-{3-[4-(2-isopropoxy-pheny...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCc3ccccc23)CC1 Show InChI InChI=1S/C29H33N3O2/c1-22(2)34-28-13-6-5-12-27(28)31-18-16-30(17-19-31)21-23-8-7-10-25(20-23)29(33)32-15-14-24-9-3-4-11-26(24)32/h3-13,20,22H,14-19,21H2,1-2H3	MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was measured in vivo for its binding affinity at Alpha-1 adrenergic receptor using [3H]prazosin as radioligand.				Bioorg Med Chem Lett 7: 763-768 (1997) Article DOI: 10.1016/S0960-894X(97)00074-7 BindingDB Entry DOI: 10.7270/Q2FT8M1V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50064552 ((2,3-Dihydro-indol-1-yl)-{3-[4-(2-isopropoxy-pheny...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCc3ccccc23)CC1 Show InChI InChI=1S/C29H33N3O2/c1-22(2)34-28-13-6-5-12-27(28)31-18-16-30(17-19-31)21-23-8-7-10-25(20-23)29(33)32-15-14-24-9-3-4-11-26(24)32/h3-13,20,22H,14-19,21H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was measured in vivo for its binding affinity at 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand				Bioorg Med Chem Lett 7: 763-768 (1997) Article DOI: 10.1016/S0960-894X(97)00074-7 BindingDB Entry DOI: 10.7270/Q2FT8M1V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50064552 ((2,3-Dihydro-indol-1-yl)-{3-[4-(2-isopropoxy-pheny...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCc3ccccc23)CC1 Show InChI InChI=1S/C29H33N3O2/c1-22(2)34-28-13-6-5-12-27(28)31-18-16-30(17-19-31)21-23-8-7-10-25(20-23)29(33)32-15-14-24-9-3-4-11-26(24)32/h3-13,20,22H,14-19,21H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against 5-hydroxytryptamine 1A receptor from rat cerebral cortex				J Med Chem 41: 1997-2009 (1998) Article DOI: 10.1021/jm970164z BindingDB Entry DOI: 10.7270/Q2KK9CG0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50064552 ((2,3-Dihydro-indol-1-yl)-{3-[4-(2-isopropoxy-pheny...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCc3ccccc23)CC1 Show InChI InChI=1S/C29H33N3O2/c1-22(2)34-28-13-6-5-12-27(28)31-18-16-30(17-19-31)21-23-8-7-10-25(20-23)29(33)32-15-14-24-9-3-4-11-26(24)32/h3-13,20,22H,14-19,21H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Dopamine receptor D2 from rat striatum				J Med Chem 41: 1997-2009 (1998) Article DOI: 10.1021/jm970164z BindingDB Entry DOI: 10.7270/Q2KK9CG0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50064552 ((2,3-Dihydro-indol-1-yl)-{3-[4-(2-isopropoxy-pheny...) Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCc3ccccc23)CC1 Show InChI InChI=1S/C29H33N3O2/c1-22(2)34-28-13-6-5-12-27(28)31-18-16-30(17-19-31)21-23-8-7-10-25(20-23)29(33)32-15-14-24-9-3-4-11-26(24)32/h3-13,20,22H,14-19,21H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was measured in vivo for its binding affinity at Dopamine receptor D2 using [3H]-spiperone as radioligand.				Bioorg Med Chem Lett 7: 763-768 (1997) Article DOI: 10.1016/S0960-894X(97)00074-7 BindingDB Entry DOI: 10.7270/Q2FT8M1V
					More data for this Ligand-Target Pair