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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)cc1

InChI Key: InChIKey=WZFCUWLHLQVMLG-BBYQNRLFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50470079   
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)		BDBM50470079
PNG
(CHEMBL445681)
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)cc1 |wU:58.64,12.20,wD:31.44,23.28,5.4,64.68,45.48,(26.52,-7.4,;26.53,-8.93,;25.21,-9.72,;23.86,-8.96,;22.57,-9.72,;23.83,-7.45,;25.05,-6.57,;24.54,-5.13,;23.01,-5.13,;22.57,-6.58,;21.25,-7.32,;21.24,-8.86,;19.92,-6.57,;19.93,-5.02,;21.28,-4.26,;21.29,-2.71,;22.63,-1.96,;22.64,-.43,;23.96,.34,;21.31,.35,;18.58,-7.32,;17.26,-6.54,;17.26,-5,;15.91,-7.28,;15.91,-8.83,;17.23,-9.62,;18.57,-8.85,;17.22,-11.15,;14.59,-6.51,;13.26,-7.27,;13.24,-8.8,;11.94,-6.5,;11.95,-4.97,;11.47,-3.51,;10.02,-3.03,;10.02,-1.48,;11.49,-1.01,;12.11,.39,;13.65,.55,;14.55,-.69,;13.92,-2.1,;12.37,-2.26,;10.6,-7.25,;9.27,-6.48,;9.27,-4.94,;7.93,-7.24,;7.92,-8.77,;9.24,-9.56,;10.59,-8.8,;11.92,-9.57,;11.91,-11.12,;13.23,-11.89,;10.57,-11.88,;9.24,-11.1,;6.61,-6.45,;6.61,-4.9,;5.28,-7.21,;5.26,-8.77,;3.94,-6.44,;3.96,-4.9,;5.29,-4.15,;2.61,-7.19,;1.27,-6.42,;1.3,-4.89,;-.06,-7.18,;-.09,-8.72,;1.26,-9.51,;2.67,-8.88,;3.68,-10.02,;2.91,-11.36,;3.36,-12.82,;2.33,-13.95,;.84,-13.63,;.36,-12.17,;1.39,-11.04,;-1.38,-6.42,;-2.73,-7.16,;-2.73,-8.69,;-4.08,-6.42,;-5.53,-7.35,;-7.05,-6.58,;-8.49,-7.51,;-10.03,-6.74,;-10.13,-5.02,;-11.64,-4.16,;-8.68,-4.09,;-7.15,-4.87,)|
Show InChI InChI=1S/C63H80FN13O10/c1-5-67-59(84)53-17-11-29-77(53)62(87)48(16-10-28-68-63(65)66)72-56(81)49(30-37(2)3)73-58(83)51(33-41-35-70-47-15-9-7-13-45(41)47)74-60(85)54(31-39-20-25-43(79)26-21-39)76(4)61(86)52(36-78)75-57(82)50(32-40-34-69-46-14-8-6-12-44(40)46)71-55(80)27-22-38-18-23-42(64)24-19-38/h6-9,12-15,18-21,23-26,34-35,37,48-54,69-70,78-79H,5,10-11,16-17,22,27-33,36H2,1-4H3,(H,67,84)(H,71,80)(H,72,81)(H,73,83)(H,74,85)(H,75,82)(H4,65,66,68)/t48-,49-,50-,51+,52-,53+,54-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 0.0330n/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