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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](CCCCNC(=O)c1cccnc1)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1cccc(F)c1

InChI Key: InChIKey=CWELPBZPVCXXTL-LXQKLVQBSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50470101   
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)		BDBM50470101
PNG
(CHEMBL406887)
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](CCCCNC(=O)c1cccnc1)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1cccc(F)c1 |wU:61.66,12.20,wD:23.28,31.46,5.4,67.70,48.50,(28.94,-13.15,;28.96,-14.67,;27.64,-15.47,;26.3,-14.7,;25,-15.47,;26.27,-13.19,;27.48,-12.31,;26.95,-10.87,;25.43,-10.87,;25.01,-12.32,;23.68,-13.06,;23.66,-14.61,;22.34,-12.31,;22.36,-10.76,;23.69,-10,;23.71,-8.45,;25.04,-7.7,;25.07,-6.16,;26.4,-5.39,;23.72,-5.38,;21.02,-13.06,;19.69,-12.29,;19.7,-10.74,;18.34,-13.03,;18.33,-14.57,;19.66,-15.37,;20.99,-14.6,;19.63,-16.89,;17.01,-12.25,;15.67,-13.02,;15.67,-14.54,;14.35,-12.24,;14.44,-10.71,;13.22,-9.74,;13.74,-8.29,;12.38,-7.26,;13.05,-5.87,;12.19,-4.58,;12.86,-3.19,;10.61,-4.71,;9.77,-3.43,;8.19,-3.55,;7.55,-4.93,;8.44,-6.22,;9.97,-6.09,;13.02,-13,;11.67,-12.22,;11.67,-10.68,;10.34,-12.98,;10.32,-14.51,;11.64,-15.3,;11.64,-16.85,;12.98,-17.62,;14.32,-16.86,;15.64,-17.63,;14.34,-15.31,;13,-14.54,;9.02,-12.19,;9.03,-10.64,;7.68,-12.95,;7.67,-14.51,;6.36,-12.18,;6.36,-10.64,;7.7,-9.89,;5,-12.93,;3.68,-12.16,;3.71,-10.63,;2.33,-12.92,;2.33,-14.47,;3.65,-15.25,;5.07,-14.63,;6.1,-15.77,;5.32,-17.11,;5.78,-18.57,;4.75,-19.7,;3.23,-19.37,;2.77,-17.91,;3.81,-16.79,;1.01,-12.16,;-.32,-12.9,;-.29,-14.43,;-1.7,-12.19,;-3.11,-13.15,;-4.66,-12.38,;-4.79,-10.64,;-6.31,-9.9,;-7.75,-10.87,;-7.63,-12.6,;-9.12,-13.5,;-6.08,-13.35,)|
Show InChI InChI=1S/C64H85FN14O11/c1-5-69-60(87)53-21-13-31-79(53)63(90)49(20-12-30-71-64(66)67)75-58(85)50(32-39(2)3)76-57(84)48(19-8-9-29-70-56(83)42-15-11-28-68-36-42)74-61(88)54(34-41-22-25-45(81)26-23-41)78(4)62(89)52(38-80)77-59(86)51(35-43-37-72-47-18-7-6-17-46(43)47)73-55(82)27-24-40-14-10-16-44(65)33-40/h6-7,10-11,14-18,22-23,25-26,28,33,36-37,39,48-54,72,80-81H,5,8-9,12-13,19-21,24,27,29-32,34-35,38H2,1-4H3,(H,69,87)(H,70,83)(H,73,82)(H,74,88)(H,75,85)(H,76,84)(H,77,86)(H4,66,67,71)/t48-,49+,50+,51+,52+,53-,54+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 0.0260n/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