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BDBM50226416 CHEMBL2369525

SMILES: [#6]-[#6]-[#8]-c1ccc(-[#6]-[#6@H]-2-[#7]-[#6](=O)-[#6]C([#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c3ccccc3)-[#7]-[#6]-2=O)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O)([#6]-2-[#6]-[#6]-[#6]-[#6]-2)[#6]-2-[#6]-[#6]-[#6]-[#6]-2)cc1

InChI Key: InChIKey=HXLZHGSDMHVARV-BDLUSVDQSA-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 = 50226416   
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
Adenylate cyclase type 4


(Homo sapiens (Human))
BDBM50226416
PNG
(CHEMBL2369525)
Show SMILES CCOc1ccc(C[C@H]2NC(=O)CC(SSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)(C2CCCC2)C2CCCC2)cc1
Show InChI InChI=1S/C56H82N12O10S2/c1-4-78-38-24-22-35(23-25-38)29-40-49(72)64-41(28-34-14-6-5-7-15-34)51(74)67-47(33(2)3)53(76)65-42(30-45(57)69)50(73)66-43(32-79-80-56(31-46(70)62-40,36-16-8-9-17-36)37-18-10-11-19-37)54(77)68-27-13-21-44(68)52(75)63-39(48(58)71)20-12-26-61-55(59)60/h5-7,14-15,22-25,33,36-37,39-44,47H,4,8-13,16-21,26-32H2,1-3H3,(H2,57,69)(H2,58,71)(H,62,70)(H,63,75)(H,64,72)(H,65,76)(H,66,73)(H,67,74)(H4,59,60,61)/t39-,40+,41-,42-,43-,44-,47-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.90n/an/an/an/an/an/an/an/a



Research and Development Division

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]spiperone


J Med Chem 30: 2291-4 (1987)


Article DOI: 10.1021/jm00395a019
BindingDB Entry DOI: 10.7270/Q2MG7RRN
More data for this
Ligand-Target Pair