BDBM50517222 CHEMBL4579585

SMILES: CCCN(CCc1ccc(NC(=O)CCC(=O)NCCCCCC(=O)NCc2ccc(cc2)C(=O)NCCCCCC(=O)NCCCCCC(=O)NCc2ccc(cc2)C(=O)NCCCCCC(=O)NCCCCCCNC(=O)c2nn(c(c2C)-c2ccc(Cl)cc2)-c2ccc(Cl)cc2Cl)cc1)C1CCc2c(O)cccc2C1

InChI Key: InChIKey=MNEKFHUJJOMPGH-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50517222   

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 (Homo sapiens (Human))	BDBM50517222 (CHEMBL4579585) Show SMILES CCCN(CCc1ccc(NC(=O)CCC(=O)NCCCCCC(=O)NCc2ccc(cc2)C(=O)NCCCCCC(=O)NCCCCCC(=O)NCc2ccc(cc2)C(=O)NCCCCCC(=O)NCCCCCCNC(=O)c2nn(c(c2C)-c2ccc(Cl)cc2)-c2ccc(Cl)cc2Cl)cc1)C1CCc2c(O)cccc2C1 Show InChI InChI=1S/C88H113Cl3N12O10/c1-3-56-102(73-44-45-74-69(58-73)21-20-22-77(74)104)57-49-63-31-42-72(43-32-63)100-83(110)48-47-82(109)94-52-17-7-13-26-81(108)99-61-65-29-35-68(36-30-65)87(112)96-54-19-9-11-24-79(106)93-51-16-6-12-25-80(107)98-60-64-27-33-67(34-28-64)86(111)95-53-18-8-10-23-78(105)92-50-14-4-5-15-55-97-88(113)84-62(2)85(66-37-39-70(89)40-38-66)103(101-84)76-46-41-71(90)59-75(76)91/h20-22,27-43,46,59,73,104H,3-19,23-26,44-45,47-58,60-61H2,1-2H3,(H,92,105)(H,93,106)(H,94,109)(H,95,111)(H,96,112)(H,97,113)(H,98,107)(H,99,108)(H,100,110)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Binding affinity to human D2R				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126644
					More data for this Ligand-Target Pair