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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](CCCCNC(=O)c1cccnc1)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)cc1F

InChI Key: InChIKey=CXYGEGJQVATALM-LXQKLVQBSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50470083   
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)		BDBM50470083
PNG
(CHEMBL267709)
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](CCCCNC(=O)c1cccnc1)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)cc1F |wU:61.66,12.20,wD:23.28,31.46,5.4,67.70,48.50,(22.09,-4.06,;22.09,-5.58,;20.77,-6.37,;19.44,-5.61,;18.13,-6.37,;19.41,-4.1,;20.61,-3.22,;20.09,-1.78,;18.58,-1.78,;18.15,-3.23,;16.81,-3.97,;16.81,-5.51,;15.49,-3.22,;15.49,-1.67,;16.84,-.91,;16.84,.63,;18.2,1.38,;18.2,2.92,;19.54,3.69,;16.88,3.7,;14.16,-3.97,;12.82,-3.2,;12.84,-1.65,;11.49,-3.94,;11.47,-5.48,;12.81,-6.28,;14.14,-5.5,;12.79,-7.8,;10.15,-3.17,;8.83,-3.93,;8.82,-5.45,;7.51,-3.15,;7.6,-1.62,;6.38,-.65,;6.89,.79,;5.55,1.82,;6.19,3.21,;5.32,4.51,;6,5.89,;3.78,4.37,;2.94,5.65,;1.36,5.53,;.71,4.15,;1.59,2.86,;3.12,2.99,;6.18,-3.91,;4.84,-3.13,;4.84,-1.59,;3.49,-3.89,;3.49,-5.42,;4.81,-6.21,;4.81,-7.76,;6.13,-8.53,;7.48,-7.77,;8.8,-8.54,;7.48,-6.22,;6.16,-5.45,;2.17,-3.1,;2.19,-1.56,;.85,-3.86,;.82,-5.42,;-.48,-3.09,;-.47,-1.56,;.85,-.8,;-1.82,-3.84,;-3.15,-3.07,;-3.14,-1.54,;-4.5,-3.83,;-4.51,-5.38,;-3.18,-6.16,;-1.76,-5.54,;-.74,-6.67,;-1.53,-8.01,;-1.06,-9.47,;-2.09,-10.6,;-3.59,-10.28,;-4.08,-8.82,;-3.03,-7.69,;-5.81,-3.07,;-7.17,-3.81,;-7.13,-5.34,;-8.52,-3.1,;-9.95,-4.06,;-11.51,-3.29,;-11.61,-1.58,;-13.15,-.82,;-14.58,-1.78,;-16.07,-.94,;-14.45,-3.51,;-12.93,-4.26,;-12.9,-5.99,)|
Show InChI InChI=1S/C64H84F2N14O11/c1-5-70-60(88)53-18-12-30-80(53)63(91)49(17-11-29-72-64(67)68)76-58(86)50(31-38(2)3)77-57(85)48(16-8-9-28-71-56(84)41-13-10-27-69-35-41)75-61(89)54(32-39-19-24-44(82)25-20-39)79(4)62(90)52(37-81)78-59(87)51(33-42-36-73-47-15-7-6-14-45(42)47)74-55(83)26-22-40-21-23-43(65)34-46(40)66/h6-7,10,13-15,19-21,23-25,27,34-36,38,48-54,73,81-82H,5,8-9,11-12,16-18,22,26,28-33,37H2,1-4H3,(H,70,88)(H,71,84)(H,74,83)(H,75,89)(H,76,86)(H,77,85)(H,78,87)(H4,67,68,72)/t48-,49+,50+,51+,52+,53-,54+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 0.0200n/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