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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](Cc1cccc2ccccc12)NC(=O)CCc1ccc(F)cc1

InChI Key: InChIKey=NPKMVQWQPUCDEO-VWKOFVNKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50470130   
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)		BDBM50470130
PNG
(CHEMBL217175)
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](Cc1cccc2ccccc12)NC(=O)CCc1ccc(F)cc1 |wU:58.64,12.20,wD:31.44,23.28,5.4,64.81,45.48,(29.62,-3.96,;29.63,-5.48,;28.31,-6.27,;26.96,-5.51,;25.67,-6.27,;26.93,-4,;28.15,-3.12,;27.64,-1.68,;26.09,-1.68,;25.67,-3.13,;24.36,-3.87,;24.35,-5.41,;23.03,-3.12,;23.04,-1.58,;24.38,-.81,;24.39,.73,;25.73,1.48,;25.74,3.01,;27.06,3.78,;24.41,3.79,;21.69,-3.87,;20.37,-3.1,;20.37,-1.55,;19.02,-3.84,;19.02,-5.38,;20.34,-6.17,;21.68,-5.4,;20.33,-7.7,;17.7,-3.07,;16.37,-3.83,;16.35,-5.35,;15.05,-3.06,;15.06,-1.52,;14.58,-.06,;13.13,.42,;13.13,1.96,;14.6,2.43,;15.22,3.83,;16.76,3.99,;17.66,2.75,;17.02,1.34,;15.48,1.18,;13.71,-3.81,;12.38,-3.03,;12.38,-1.49,;11.04,-3.79,;11.04,-5.32,;12.36,-6.11,;13.7,-5.35,;15.03,-6.12,;15.02,-7.66,;16.34,-8.44,;13.68,-8.43,;12.35,-7.65,;9.72,-3,;9.72,-1.46,;8.39,-3.76,;8.37,-5.32,;7.05,-2.99,;7.08,-1.46,;8.4,-.71,;5.72,-3.74,;4.38,-2.97,;4.42,-1.45,;3.06,-3.73,;3.06,-5.27,;4.37,-6.08,;5.74,-5.34,;7.05,-6.12,;6.99,-7.66,;5.64,-8.4,;5.64,-9.95,;4.29,-10.69,;2.97,-9.91,;2.99,-8.36,;4.34,-7.62,;1.74,-2.97,;.4,-3.71,;.43,-5.24,;-.99,-3,;-2.4,-3.97,;-3.94,-3.23,;-5.36,-4.19,;-6.9,-3.45,;-7.03,-1.74,;-8.55,-.91,;-5.62,-.77,;-4.07,-1.51,)|
Show InChI InChI=1S/C65H81FN12O10/c1-5-69-61(85)55-20-12-32-78(55)64(88)50(19-11-31-70-65(67)68)73-58(82)51(33-39(2)3)74-60(84)53(36-44-37-71-49-18-9-8-17-48(44)49)75-62(86)56(34-41-23-28-46(80)29-24-41)77(4)63(87)54(38-79)76-59(83)52(35-43-15-10-14-42-13-6-7-16-47(42)43)72-57(81)30-25-40-21-26-45(66)27-22-40/h6-10,13-18,21-24,26-29,37,39,50-56,71,79-80H,5,11-12,19-20,25,30-36,38H2,1-4H3,(H,69,85)(H,72,81)(H,73,82)(H,74,84)(H,75,86)(H,76,83)(H4,67,68,70)/t50-,51-,52-,53+,54-,55+,56-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 0.0480n/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