BDBM84719 deslorelin 3NMe1Nal

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](Cc1cccc2ccccc12)N(C)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1

InChI Key: InChIKey=PETAZCTXSRLXFX-HHTYJAIXSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 84719   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Luteinizing Hormone-Releasing Hormone LHRH (RAT)	BDBM84719 (deslorelin 3NMe1Nal) 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](Cc1cccc2ccccc12)N(C)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1 |r,wU:31.44,23.28,12.20,57.63,63.80,5.4,79.92,89.95,wD:45.57,(-8.25,5.5,;-8.21,4.01,;-6.91,3.28,;-6.91,1.76,;-5.56,.97,;-8.21,.86,;-9.55,1.3,;-10.59,.25,;-9.77,-1.09,;-8.21,-.6,;-6.97,-1.49,;-5.62,-.85,;-7.01,-3.06,;-8.43,-3.76,;-9.77,-2.88,;-11.13,-3.55,;-12.37,-2.75,;-13.77,-3.43,;-15.09,-2.58,;-13.89,-4.95,;-5.75,-3.91,;-4.4,-3.25,;-4.38,-1.66,;-3.12,-4.06,;-3.52,-5.56,;-2.46,-6.71,;-2.79,-8.25,;-.84,-7.09,;-1.7,-3.39,;-.45,-4.25,;-.33,-5.83,;.61,-3.28,;.76,-1.8,;-.23,-.66,;.18,.7,;-.73,1.73,;-2.18,1.46,;-3.12,2.52,;-4.51,2.21,;-4.98,.86,;-4.03,-.18,;-2.61,.1,;2.04,-3.86,;3.22,-2.91,;4.71,-3.45,;2.98,-1.4,;1.57,-.7,;1.7,.88,;.39,1.92,;.68,3.61,;2.13,4.32,;2.37,5.95,;3.43,3.26,;3.26,1.51,;4.09,-.39,;5.66,-.45,;6.38,.82,;6.32,-1.82,;5.59,-3.1,;6.26,-4.46,;7.87,-1.86,;8.66,-.54,;7.93,.8,;10.17,-.6,;10.89,-1.99,;10.27,-3.14,;8.73,-3.13,;7.96,-4.47,;8.73,-5.8,;10.27,-5.8,;11.04,-7.14,;12.58,-7.14,;13.35,-5.8,;12.58,-4.47,;11.04,-4.47,;10.95,.6,;12.29,-.17,;10.29,1.94,;8.75,1.98,;11.11,3.26,;12.59,3.16,;13.35,1.86,;12.66,.45,;13.72,-.54,;15.09,.1,;14.84,1.64,;10.35,4.51,;8.83,4.51,;8.02,3.22,;8.02,5.91,;8.59,7.19,;7.54,8.25,;6.16,7.59,;4.77,8.19,;6.53,5.95,)| Show InChI InChI=1S/C67H86N16O12/c1-5-71-63(92)55-20-12-28-83(55)66(95)49(19-11-27-72-67(68)69)76-59(88)50(29-38(2)3)77-61(90)52(31-42-34-73-47-18-9-8-17-46(42)47)79-60(89)51(30-39-21-23-44(85)24-22-39)78-62(91)54(36-84)81-64(93)56(32-41-15-10-14-40-13-6-7-16-45(40)41)82(4)65(94)53(33-43-35-70-37-74-43)80-58(87)48-25-26-57(86)75-48/h6-10,13-18,21-24,34-35,37-38,48-56,73,84-85H,5,11-12,19-20,25-33,36H2,1-4H3,(H,70,74)(H,71,92)(H,75,86)(H,76,88)(H,77,90)(H,78,91)(H,79,89)(H,80,87)(H,81,93)(H4,68,69,72)/t48-,49-,50-,51-,52+,53-,54-,55-,56-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									J Med Chem 36: 363-9 (1993) Article DOI: 10.1021/jm00055a007 BindingDB Entry DOI: 10.7270/Q2GQ6W8T
					More data for this Ligand-Target Pair