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BDBM50015513 CHEMBL3265315

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=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=FSYXFKAGLZZMPT-BURBDGKISA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50015513   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50015513
PNG
(CHEMBL3265315)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=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/C90H138N18O24S/c1-7-28-106-29-13-17-66(106)57-97-82(114)68-49-63(51-74(123-5)80(68)124-6)16-15-48-133-75-54-78(112)108(88(75)120)30-11-9-10-20-76(110)95-27-33-126-35-37-128-39-41-130-43-45-132-47-46-131-44-42-129-40-38-127-36-34-125-32-25-77(111)101-70(52-64-55-93-58-98-64)84(116)100-61(4)81(113)105-79(60(3)8-2)86(118)103-71(50-62-21-23-67(109)24-22-62)87(119)107-31-14-19-73(107)85(117)102-69(18-12-26-96-90(91)92)83(115)104-72(89(121)122)53-65-56-94-59-99-65/h7,21-24,49,51,55-56,58-61,66,69-73,75,79,109H,1,8-20,25-48,50,52-54,57H2,2-6H3,(H,93,98)(H,94,99)(H,95,110)(H,97,114)(H,100,116)(H,101,111)(H,102,117)(H,103,118)(H,104,115)(H,105,113)(H,121,122)(H4,91,92,96)/t60-,61-,66-,69-,70-,71-,72-,73-,75?,79-/m0/s1
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Article
PubMed
 54n/an/an/an/an/an/an/an/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
More data for this
Ligand-Target Pair