BDBM50015512 CHEMBL3265314

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCN1C(=O)CC(SCCCc2cc(OC)c(OC)c(c2)C(=O)NC[C@@H]2CCCN2CC=C)C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O

InChI Key: InChIKey=ZDFULMHHALUTIK-XDBKOMMSSA-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 = 50015512   

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))	BDBM50015512 (CHEMBL3265314) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCN1C(=O)CC(SCCCc2cc(OC)c(OC)c(c2)C(=O)NC[C@@H]2CCCN2CC=C)C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r| Show InChI InChI=1S/C86H130N18O22S/c1-7-28-102-29-13-17-62(102)53-93-78(110)64-45-59(47-70(119-5)76(64)120-6)16-15-44-127-71-50-74(108)104(84(71)116)30-11-9-10-20-72(106)91-27-33-122-35-37-124-39-41-126-43-42-125-40-38-123-36-34-121-32-25-73(107)97-66(48-60-51-89-54-94-60)80(112)96-57(4)77(109)101-75(56(3)8-2)82(114)99-67(46-58-21-23-63(105)24-22-58)83(115)103-31-14-19-69(103)81(113)98-65(18-12-26-92-86(87)88)79(111)100-68(85(117)118)49-61-52-90-55-95-61/h7,21-24,45,47,51-52,54-57,62,65-69,71,75,105H,1,8-20,25-44,46,48-50,53H2,2-6H3,(H,89,94)(H,90,95)(H,91,106)(H,93,110)(H,96,112)(H,97,107)(H,98,113)(H,99,114)(H,100,111)(H,101,109)(H,117,118)(H4,87,88,92)/t56-,57-,62-,65-,66-,67-,68-,69-,71?,75-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2 receptor transfected in HEK cells				J Med Chem 57: 4368-81 (2014) Article DOI: 10.1021/jm5004123 BindingDB Entry DOI: 10.7270/Q2697543
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