BDBM50452525 CHEMBL2114431

SMILES: CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC[C@@H](C)O

InChI Key: InChIKey=GATCOSFCYSJURA-LLVKDONJSA-N

Data: 2 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 2 hits for monomerid = 50452525   

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(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50452525 (CHEMBL2114431) Show SMILES CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC[C@@H](C)O |r| Show InChI InChI=1S/C16H26ClN3O3/c1-4-20(5-2)7-6-19-16(22)12-8-13(17)14(18)9-15(12)23-10-11(3)21/h8-9,11,21H,4-7,10,18H2,1-3H3,(H,19,22)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
Bristol-Myers Company Curated by ChEMBL					Assay Description In vitro antagonistic activity against Dopamine receptor D2 was evaluated for the inhibition of [3H]spiperone binding				J Med Chem 31: 1548-58 (1988) BindingDB Entry DOI: 10.7270/Q25B032R
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50452525 (CHEMBL2114431) Show SMILES CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC[C@@H](C)O |r| Show InChI InChI=1S/C16H26ClN3O3/c1-4-20(5-2)7-6-19-16(22)12-8-13(17)14(18)9-15(12)23-10-11(3)21/h8-9,11,21H,4-7,10,18H2,1-3H3,(H,19,22)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
Bristol-Myers Company Curated by ChEMBL					Assay Description In vitro antagonistic activity against Dopamine receptor D2 was evaluated for the inhibition of [3H]spiperone binding				J Med Chem 31: 1548-58 (1988) BindingDB Entry DOI: 10.7270/Q25B032R
					More data for this Ligand-Target Pair