BDBM84720 deslorelin 10SarNH2

SMILES: CC(C)C[C@H](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)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N(C)[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O

InChI Key: InChIKey=PDIWHLVKSBQEBR-LVBJKYAUSA-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 = 84720   

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)	BDBM84720 (deslorelin 10SarNH2) Show SMILES CC(C)C[C@H](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)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N(C)[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O |r,wU:8.20,4.4,74.80,34.39,40.55,88.96,54.66,64.69,wD:22.33,(-2.79,-8.25,;-2.46,-6.71,;-.84,-7.09,;-3.52,-5.56,;-3.12,-4.06,;-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,;10.45,-3.49,;9,-4.01,;9.07,-5.58,;10.52,-6,;11.2,-7.39,;12.75,-7.49,;13.62,-6.2,;12.93,-4.81,;11.38,-4.71,;10.95,.6,;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,;-4.4,-3.25,;-4.38,-1.66,;-5.75,-3.91,;-5.75,-5.45,;-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,;-6.97,-1.49,;-5.62,-.85,;-8.21,-.6,;-9.77,-1.09,;-10.59,.25,;-9.55,1.3,;-8.21,.86,;-6.91,1.76,;-5.56,.97,;-6.91,3.28,;-8.21,4.01,;-8.25,5.5,;-6.92,6.27,;-9.58,6.27,)| Show InChI InChI=1S/C65H84N18O13/c1-35(2)24-50(63(95)82(3)53(14-8-22-70-65(67)68)64(96)83-23-9-15-52(83)62(94)73-32-54(66)86)80-58(90)47(26-37-29-71-43-12-6-4-10-41(37)43)77-57(89)46(25-36-16-18-40(85)19-17-36)76-61(93)51(33-84)81-59(91)48(27-38-30-72-44-13-7-5-11-42(38)44)78-60(92)49(28-39-31-69-34-74-39)79-56(88)45-20-21-55(87)75-45/h4-7,10-13,16-19,29-31,34-35,45-53,71-72,84-85H,8-9,14-15,20-28,32-33H2,1-3H3,(H2,66,86)(H,69,74)(H,73,94)(H,75,87)(H,76,93)(H,77,89)(H,78,92)(H,79,88)(H,80,90)(H,81,91)(H4,67,68,70)/t45-,46-,47+,48-,49-,50-,51-,52-,53-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.320	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