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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(Br)cc1

InChI Key: InChIKey=QLZCYSUDOUZAAF-VWKOFVNKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50470081   
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)		BDBM50470081
PNG
(CHEMBL267843)
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(Br)cc1 |wU:58.64,12.20,wD:31.44,23.28,5.4,64.81,45.48,(26.5,-8.03,;26.51,-9.57,;25.2,-10.34,;23.85,-9.59,;22.57,-10.34,;23.82,-8.1,;25.04,-7.2,;24.52,-5.77,;23,-5.79,;22.57,-7.22,;21.25,-7.97,;21.24,-9.5,;19.92,-7.2,;19.93,-5.66,;21.27,-4.91,;21.28,-3.38,;22.62,-2.61,;22.63,-1.09,;23.94,-.33,;21.3,-.3,;18.59,-7.96,;17.27,-7.19,;17.27,-5.65,;15.92,-7.94,;15.92,-9.48,;17.24,-10.25,;18.58,-9.48,;17.23,-11.79,;14.61,-7.17,;13.28,-7.9,;13.26,-9.44,;11.97,-7.13,;11.98,-5.61,;11.5,-4.15,;10.05,-3.67,;10.05,-2.13,;11.52,-1.67,;12.14,-.27,;13.67,-.11,;14.57,-1.36,;13.93,-2.77,;12.39,-2.92,;10.63,-7.9,;9.3,-7.12,;9.3,-5.59,;7.97,-7.87,;7.97,-9.41,;9.28,-10.18,;10.62,-9.43,;11.95,-10.21,;11.94,-11.75,;13.25,-12.51,;10.6,-12.49,;9.27,-11.72,;6.65,-7.1,;6.65,-5.56,;5.3,-7.84,;5.3,-9.4,;3.99,-7.07,;4.01,-5.56,;5.34,-4.79,;2.66,-7.84,;1.33,-7.07,;1.36,-5.53,;,-7.81,;,-9.35,;1.32,-10.15,;2.67,-9.41,;3.99,-10.21,;3.92,-11.75,;2.6,-12.49,;2.58,-14.02,;1.23,-14.77,;-.09,-13.97,;-.06,-12.43,;1.28,-11.69,;-1.32,-7.06,;-2.66,-7.81,;-2.66,-9.31,;-4,-7.04,;-5.44,-7.97,;-6.96,-7.17,;-8.41,-8.08,;-9.91,-7.28,;-10,-5.56,;-11.48,-4.69,;-8.53,-4.65,;-7.03,-5.45,)|
Show InChI InChI=1S/C65H81BrN12O10/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
 0.0560n/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