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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)cc1F

InChI Key: InChIKey=XGVHLIGBSLLBFW-BIOHGXQXSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50470103   
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)		BDBM50470103
PNG
(CHEMBL384341)
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)cc1F |wU:57.63,12.20,wD:45.57,31.44,23.28,5.4,63.67,(23.78,-1.33,;23.78,-2.87,;22.46,-3.65,;21.13,-2.88,;19.82,-3.65,;21.1,-1.38,;22.3,-.49,;21.78,.96,;20.27,.96,;19.84,-.49,;18.5,-1.26,;18.5,-2.78,;17.18,-.49,;17.18,1.05,;18.53,1.82,;18.53,3.35,;19.88,4.12,;19.88,5.66,;21.22,6.41,;18.56,6.43,;15.85,-1.23,;14.5,-.46,;14.53,1.08,;13.17,-1.22,;13.15,-2.75,;14.49,-3.55,;14.47,-5.09,;15.82,-2.78,;11.83,-.45,;10.51,-1.2,;10.5,-2.74,;9.19,-.43,;9.19,1.12,;8.73,2.57,;7.26,3.05,;7.26,4.59,;8.74,5.08,;9.35,6.46,;10.9,6.62,;11.8,5.38,;11.15,3.96,;9.63,3.82,;7.86,-1.19,;6.52,-.4,;6.52,1.13,;5.16,-1.17,;5.16,-2.71,;6.48,-3.49,;6.48,-5.04,;7.8,-5.81,;9.16,-5.06,;10.48,-5.81,;9.16,-3.51,;7.84,-2.72,;3.84,-.39,;2.52,-1.14,;2.49,-2.68,;1.19,-.37,;1.2,1.16,;2.52,1.92,;-.15,-1.13,;-1.48,-.35,;-1.47,1.18,;-2.82,-1.11,;-2.83,-2.65,;-1.5,-3.42,;-.09,-2.81,;.93,-3.96,;.14,-5.29,;.61,-6.76,;-.42,-7.89,;-1.92,-7.57,;-2.4,-6.1,;-1.35,-4.97,;-4.14,-.33,;-5.5,-1.11,;-5.44,-2.62,;-6.85,-.39,;-8.28,-1.35,;-9.82,-.59,;-9.94,1.13,;-11.49,1.89,;-12.94,.92,;-14.43,1.76,;-12.81,-.81,;-11.24,-1.56,;-10.78,-3.22,)|
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(30-39-33-70-46-14-8-6-12-43(39)46)75-56(82)49(28-36-17-22-41(79)23-18-36)74-59(85)52(34-78)76-57(83)50(29-38-32-69-45-13-7-5-11-42(38)45)71-54(80)24-20-37-19-21-40(63)31-44(37)64/h5-8,11-14,17-19,21-23,31-33,35,47-53,69-70,78-79H,4,9-10,15-16,20,24-30,34H2,1-3H3,(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
 0.0400n/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