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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)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc(F)c(F)c1

InChI Key: InChIKey=UCNNRFZWDOUFOA-BIOHGXQXSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50470089   
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)		BDBM50470089
PNG
(CHEMBL429365)
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)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc(F)c(F)c1 |wU:57.63,12.20,wD:45.57,31.44,23.28,5.4,63.67,(30.24,-8.6,;30.26,-10.14,;28.94,-10.91,;27.6,-10.16,;26.31,-10.91,;27.57,-8.66,;28.78,-7.76,;28.27,-6.34,;26.73,-6.34,;26.32,-7.78,;24.99,-8.53,;24.97,-10.07,;23.65,-7.76,;23.67,-6.22,;25,-5.47,;25.02,-3.93,;26.35,-3.16,;26.37,-1.64,;27.7,-.88,;25.03,-.85,;22.33,-8.52,;21,-7.75,;21.01,-6.21,;19.66,-8.5,;19.65,-10.03,;20.98,-10.82,;20.95,-12.36,;22.3,-10.04,;18.33,-7.73,;16.99,-8.47,;16.99,-10.01,;15.67,-7.7,;15.69,-6.17,;15.22,-4.71,;13.76,-4.22,;13.76,-2.68,;15.22,-2.22,;15.85,-.81,;17.38,-.65,;18.28,-1.91,;17.66,-3.32,;16.12,-3.47,;14.35,-8.47,;13,-7.69,;13,-6.15,;11.67,-8.44,;11.67,-9.98,;12.99,-10.75,;12.97,-12.3,;14.31,-13.07,;15.64,-12.33,;16.96,-13.09,;15.66,-10.78,;14.32,-10,;10.36,-7.66,;9.02,-8.4,;9,-9.97,;7.7,-7.63,;7.7,-6.12,;9.04,-5.35,;6.35,-8.4,;5.03,-7.63,;5.05,-6.09,;3.68,-8.37,;3.68,-9.92,;5,-10.71,;6.41,-10.08,;7.44,-11.23,;6.66,-12.55,;7.12,-14.03,;6.09,-15.16,;4.58,-14.84,;4.12,-13.36,;5.16,-12.23,;2.36,-7.62,;1.03,-8.37,;1.09,-9.88,;-.34,-7.66,;-1.76,-8.66,;-3.31,-7.94,;-3.46,-6.24,;-5.02,-5.51,;-6.43,-6.51,;-7.96,-5.7,;-6.26,-8.21,;-7.74,-9.14,;-4.72,-8.94,)|
Show InChI InChI=1S/C62H77F2N13O10/c1-4-67-60(86)53-16-10-26-77(53)61(87)47(15-9-25-68-62(65)66)72-55(81)48(27-35(2)3)73-58(84)51(31-39-33-70-46-14-8-6-12-42(39)46)75-56(82)49(29-37-17-21-40(79)22-18-37)74-59(85)52(34-78)76-57(83)50(30-38-32-69-45-13-7-5-11-41(38)45)71-54(80)24-20-36-19-23-43(63)44(64)28-36/h5-8,11-14,17-19,21-23,28,32-33,35,47-53,69-70,78-79H,4,9-10,15-16,20,24-27,29-31,34H2,1-3H3,(H,67,86)(H,71,80)(H,72,81)(H,73,84)(H,74,85)(H,75,82)(H,76,83)(H4,65,66,68)/t47-,48-,49-,50-,51+,52-,53+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 0.0520n/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