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BDBM50405789 CHEMBL412984

SMILES: CC(C)C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(C)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(N)=O

InChI Key: InChIKey=DPDLLWHIDCKKEA-VOIYBZDDSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50405789   
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)		BDBM50405789
PNG
(CHEMBL412984)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(C)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C69H92Cl2N18O13/c1-37(2)30-51(60(95)83-50(13-8-28-78-69(75)76)67(102)89-29-9-14-57(89)66(101)80-38(3)58(72)93)84-59(94)49(12-7-27-77-68(73)74)82-62(97)53(33-42-19-25-46(92)26-20-42)86-65(100)56(36-90)88-64(99)55(34-43-35-79-48-11-6-5-10-47(43)48)87-63(98)54(32-41-17-23-45(71)24-18-41)85-61(96)52(81-39(4)91)31-40-15-21-44(70)22-16-40/h5-6,10-11,15-26,35,37-38,49-57,79,90,92H,7-9,12-14,27-34,36H2,1-4H3,(H2,72,93)(H,80,101)(H,81,91)(H,82,97)(H,83,95)(H,84,94)(H,85,96)(H,86,100)(H,87,98)(H,88,99)(H4,73,74,77)(H4,75,76,78)/t38-,49-,50-,51+,52-,53+,54-,55-,56+,57-/m1/s1
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Similars
PubMed
 0.0182n/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