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BDBM50405782 CHEMBL413887

SMILES: CCNC(=O)C1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCCc1c[nH]c2ccccc12

InChI Key: InChIKey=CMOKQRSZSSBVCR-NKSNMKHQSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50405782   
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
Luteinizing hormone/Choriogonadotropin receptor


(Rattus norvegicus)		BDBM50405782
PNG
(CHEMBL413887)
Show SMILES CCNC(=O)C1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C56H73N11O9/c1-4-59-54(75)48-18-11-27-67(48)55(76)43(17-10-26-60-56(57)58)63-50(71)44(28-34(2)3)64-52(73)46(31-36-20-23-37-12-5-6-13-38(37)29-36)65-51(72)45(30-35-21-24-40(69)25-22-35)66-53(74)47(33-68)62-49(70)19-9-14-39-32-61-42-16-8-7-15-41(39)42/h5-8,12-13,15-16,20-25,29,32,34,43-48,61,68-69H,4,9-11,14,17-19,26-28,30-31,33H2,1-3H3,(H,59,75)(H,62,70)(H,63,71)(H,64,73)(H,65,72)(H,66,74)(H4,57,58,60)/t43-,44-,45-,46+,47-,48?/m0/s1
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Similars
PubMed
 1.40n/an/an/an/an/an/an/an/a



Abbott Laboratory

Curated by ChEMBL


Assay Description
In vitro binding affinity for Luteinizing hormone releasing hormone receptor from rat pituitary cells, expressed as negative logarithm of the equilib...

J Med Chem 32: 2340-4 (1989)


BindingDB Entry DOI: 10.7270/Q2H70H1B
More data for this
Ligand-Target Pair