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BDBM50015514 CHEMBL3265316

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=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=RQXZLQIADGREAL-YSEBVQFVSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50015514   
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))		BDBM50015514
PNG
(CHEMBL3265316)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=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/C98H154N18O28S/c1-7-28-114-29-13-17-74(114)65-105-90(122)76-57-71(59-82(131-5)88(76)132-6)16-15-56-145-83-62-86(120)116(96(83)128)30-11-9-10-20-84(118)103-27-33-134-35-37-136-39-41-138-43-45-140-47-49-142-51-53-144-55-54-143-52-50-141-48-46-139-44-42-137-40-38-135-36-34-133-32-25-85(119)109-78(60-72-63-101-66-106-72)92(124)108-69(4)89(121)113-87(68(3)8-2)94(126)111-79(58-70-21-23-75(117)24-22-70)95(127)115-31-14-19-81(115)93(125)110-77(18-12-26-104-98(99)100)91(123)112-80(97(129)130)61-73-64-102-67-107-73/h7,21-24,57,59,63-64,66-69,74,77-81,83,87,117H,1,8-20,25-56,58,60-62,65H2,2-6H3,(H,101,106)(H,102,107)(H,103,118)(H,105,122)(H,108,124)(H,109,119)(H,110,125)(H,111,126)(H,112,123)(H,113,121)(H,129,130)(H4,99,100,104)/t68-,69-,74-,77-,78-,79-,80-,81-,83?,87-/m0/s1
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Article
PubMed
 25n/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