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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(O)cc1

InChI Key: InChIKey=HNBUZLZERICNSF-BIOHGXQXSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50470123   
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)		BDBM50470123
PNG
(CHEMBL415643)
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(O)cc1 |wU:57.63,12.20,wD:45.57,31.44,23.28,5.4,63.67,(27.17,-9.81,;27.19,-11.34,;25.87,-12.13,;24.53,-11.35,;23.23,-12.13,;24.5,-9.86,;25.71,-8.97,;25.2,-7.52,;23.66,-7.52,;23.24,-8.97,;21.91,-9.73,;21.89,-11.26,;20.57,-8.97,;20.59,-7.42,;21.92,-6.65,;21.94,-5.12,;23.27,-4.35,;23.29,-2.81,;24.63,-2.06,;21.95,-2.04,;19.25,-9.71,;17.91,-8.94,;17.92,-7.39,;16.57,-9.7,;16.56,-11.22,;17.89,-12.03,;17.86,-13.56,;19.21,-11.26,;15.24,-8.92,;13.9,-9.68,;13.9,-11.21,;12.58,-8.9,;12.6,-7.36,;12.13,-5.91,;10.66,-5.42,;10.66,-3.88,;12.13,-3.39,;12.76,-2.01,;14.28,-1.85,;15.19,-3.09,;14.56,-4.51,;13.03,-4.65,;11.26,-9.67,;9.9,-8.87,;9.9,-7.35,;8.57,-9.64,;8.57,-11.18,;9.89,-11.96,;11.22,-11.19,;12.57,-11.99,;12.54,-13.53,;13.86,-14.28,;11.21,-14.28,;9.87,-13.51,;7.25,-8.86,;5.91,-9.61,;5.9,-11.16,;4.59,-8.84,;4.59,-7.31,;5.93,-6.55,;3.23,-9.6,;1.91,-8.83,;1.93,-7.29,;.56,-9.58,;.56,-11.13,;1.88,-11.9,;3.3,-11.29,;4.33,-12.44,;3.54,-13.77,;4.01,-15.24,;2.97,-16.37,;1.46,-16.04,;1,-14.57,;2.04,-13.45,;-.76,-8.81,;-2.09,-9.58,;-2.08,-11.09,;-3.45,-8.83,;-4.89,-9.76,;-6.43,-8.97,;-7.86,-9.9,;-9.4,-9.13,;-9.49,-7.41,;-11.01,-6.55,;-8.04,-6.48,;-6.51,-7.26,)|
Show InChI InChI=1S/C62H79N13O11/c1-4-65-60(85)53-16-10-28-75(53)61(86)47(15-9-27-66-62(63)64)70-55(80)48(29-36(2)3)71-58(83)51(32-40-34-68-46-14-8-6-12-44(40)46)73-56(81)49(30-38-19-24-42(78)25-20-38)72-59(84)52(35-76)74-57(82)50(31-39-33-67-45-13-7-5-11-43(39)45)69-54(79)26-21-37-17-22-41(77)23-18-37/h5-8,11-14,17-20,22-25,33-34,36,47-53,67-68,76-78H,4,9-10,15-16,21,26-32,35H2,1-3H3,(H,65,85)(H,69,79)(H,70,80)(H,71,83)(H,72,84)(H,73,81)(H,74,82)(H4,63,64,66)/t47-,48-,49-,50-,51+,52-,53+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 0.0850n/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