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SMILES: CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc(F)cc1F

InChI Key: InChIKey=OGEXMUKWQFCWBO-BBYQNRLFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50470122   
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
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)		BDBM50470122
PNG
(CHEMBL265538)
Show SMILES CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc(F)cc1F |wU:58.64,12.20,wD:31.44,23.28,5.4,64.68,45.48,(29.19,-5.42,;29.2,-6.96,;27.88,-7.74,;26.52,-6.97,;25.23,-7.74,;26.49,-5.48,;27.71,-4.59,;27.2,-3.14,;25.67,-3.16,;25.23,-4.59,;23.91,-5.35,;23.9,-6.87,;22.58,-4.59,;22.59,-3.04,;23.93,-2.27,;23.95,-.74,;25.29,.02,;25.3,1.57,;26.62,2.32,;23.97,2.34,;21.24,-5.33,;19.92,-4.55,;19.92,-3.01,;18.57,-5.32,;18.57,-6.86,;19.89,-7.65,;21.23,-6.87,;19.88,-9.18,;17.24,-4.54,;15.91,-5.29,;15.89,-6.83,;14.59,-4.52,;14.6,-2.97,;14.12,-1.52,;12.67,-1.04,;12.67,.5,;14.14,.99,;14.76,2.37,;16.3,2.53,;17.2,1.29,;16.56,-.13,;15.02,-.27,;13.25,-5.28,;11.92,-4.49,;11.92,-2.96,;10.58,-5.26,;10.57,-6.8,;11.89,-7.58,;13.24,-6.81,;14.57,-7.6,;14.54,-9.15,;15.88,-9.9,;13.22,-9.9,;11.89,-9.13,;9.26,-4.48,;9.26,-2.93,;7.9,-5.23,;7.9,-6.78,;6.58,-4.46,;6.6,-2.93,;7.94,-2.17,;5.25,-5.22,;3.91,-4.45,;3.94,-2.91,;2.58,-5.2,;2.56,-6.74,;3.9,-7.52,;5.32,-6.9,;6.32,-8.05,;5.55,-9.38,;6,-10.86,;4.97,-11.98,;3.48,-11.66,;3.01,-10.19,;4.04,-9.06,;1.26,-4.42,;-.09,-5.16,;-.12,-6.7,;-1.41,-4.39,;-2.89,-5.26,;-4.38,-4.42,;-4.41,-2.72,;-5.92,-1.88,;-7.4,-2.75,;-8.86,-1.85,;-7.37,-4.49,;-5.85,-5.33,;-5.48,-7,)|
Show InChI InChI=1S/C63H79F2N13O10/c1-5-68-59(85)53-17-11-27-78(53)62(88)48(16-10-26-69-63(66)67)73-56(82)49(28-36(2)3)74-58(84)51(31-40-34-71-47-15-9-7-13-44(40)47)75-60(86)54(29-37-18-23-42(80)24-19-37)77(4)61(87)52(35-79)76-57(83)50(30-39-33-70-46-14-8-6-12-43(39)46)72-55(81)25-21-38-20-22-41(64)32-45(38)65/h6-9,12-15,18-20,22-24,32-34,36,48-54,70-71,79-80H,5,10-11,16-17,21,25-31,35H2,1-4H3,(H,68,85)(H,72,81)(H,73,82)(H,74,84)(H,75,86)(H,76,83)(H4,66,67,69)/t48-,49-,50-,51+,52-,53+,54-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 0.0390n/an/an/an/an/an/an/an/a



TAP Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of the in vitro binding of [125I]-labeled leuprolide to the rat pituitary luteinizing hormone releasing hormone (LHRH) receptor.

J Med Chem 37: 701-5 (1994)


Article DOI: 10.1021/jm00031a021
BindingDB Entry DOI: 10.7270/Q2MG7S7B
More data for this
Ligand-Target Pair