BDBM50392127 CHEMBL2152748

SMILES: CCCN(CCN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)[C@@H]1CCc2nc(N)sc2C1

InChI Key: InChIKey=CPWJJWMVFFZCGJ-LJQANCHMSA-N

Data: 2 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 2 hits for monomerid = 50392127   

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
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50392127 (CHEMBL2152748) Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)[C@@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C25H34N6OS/c1-2-9-30(19-7-8-21-23(17-19)33-25(26)28-21)13-10-29-11-14-31(15-12-29)24(32)22-16-18-5-3-4-6-20(18)27-22/h3-6,16,19,27H,2,7-15,17H2,1H3,(H2,26,28)/t19-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiroperidol from rat cloned dopamine D3 receptor expressed in HEK293 cells				J Med Chem 55: 5826-40 (2012) Article DOI: 10.1021/jm300268s BindingDB Entry DOI: 10.7270/Q2NC629F
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50392127 (CHEMBL2152748) Show SMILES CCCN(CCN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)[C@@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C25H34N6OS/c1-2-9-30(19-7-8-21-23(17-19)33-25(26)28-21)13-10-29-11-14-31(15-12-29)24(32)22-16-18-5-3-4-6-20(18)27-22/h3-6,16,19,27H,2,7-15,17H2,1H3,(H2,26,28)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.56E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiroperidol from rat cloned dopamine D2L receptor expressed in HEK293 cells				J Med Chem 55: 5826-40 (2012) Article DOI: 10.1021/jm300268s BindingDB Entry DOI: 10.7270/Q2NC629F
					More data for this Ligand-Target Pair