BDBM50044238 CHEMBL63449::S-(-)-1-(8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl)-ethanone

SMILES: CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C(C)=O)c3c2C1

InChI Key: InChIKey=VMXHWDJFMZJHSQ-INIZCTEOSA-N

Data: 4 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 4 hits for monomerid = 50044238   

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 (5HT1A) (Mus musculus (Mouse))	BDBM50044238 (CHEMBL63449 | S-(-)-1-(8-Dipropylamino-6,7,8,9-tet...) Show SMILES CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C(C)=O)c3c2C1 Show InChI InChI=1S/C20H28N2O/c1-4-10-22(11-5-2)16-8-6-15-7-9-19-20(17(15)12-16)18(13-21-19)14(3)23/h7,9,13,16,21H,4-6,8,10-12H2,1-3H3/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description In vitro binding affinity against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand in CHO-cells (sc)				J Med Chem 36: 2059-65 (1993) BindingDB Entry DOI: 10.7270/Q2MP52CR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50044238 (CHEMBL63449 | S-(-)-1-(8-Dipropylamino-6,7,8,9-tet...) Show SMILES CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C(C)=O)c3c2C1 Show InChI InChI=1S/C20H28N2O/c1-4-10-22(11-5-2)16-8-6-15-7-9-19-20(17(15)12-16)18(13-21-19)14(3)23/h7,9,13,16,21H,4-6,8,10-12H2,1-3H3/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description In vitro binding affinity against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT				J Med Chem 36: 2059-65 (1993) BindingDB Entry DOI: 10.7270/Q2MP52CR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50044238 (CHEMBL63449 | S-(-)-1-(8-Dipropylamino-6,7,8,9-tet...) Show SMILES CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C(C)=O)c3c2C1 Show InChI InChI=1S/C20H28N2O/c1-4-10-22(11-5-2)16-8-6-15-7-9-19-20(17(15)12-16)18(13-21-19)14(3)23/h7,9,13,16,21H,4-6,8,10-12H2,1-3H3/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	423	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description In vitro binding affinity against dopamine receptor D2 using [3H]-Raclopride as radioligand in CHO-cells (sc)				J Med Chem 36: 2059-65 (1993) BindingDB Entry DOI: 10.7270/Q2MP52CR
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50044238 (CHEMBL63449 | S-(-)-1-(8-Dipropylamino-6,7,8,9-tet...) Show SMILES CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C(C)=O)c3c2C1 Show InChI InChI=1S/C20H28N2O/c1-4-10-22(11-5-2)16-8-6-15-7-9-19-20(17(15)12-16)18(13-21-19)14(3)23/h7,9,13,16,21H,4-6,8,10-12H2,1-3H3/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from dopamine receptor D2				J Med Chem 36: 2059-65 (1993) BindingDB Entry DOI: 10.7270/Q2MP52CR
					More data for this Ligand-Target Pair