BDBM84723 leuprolide 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](CC(C)C)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=VGVSEKDVOYEPTM-AVHLHLRFSA-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 = 84723   

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)	BDBM84723 (leuprolide 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](CC(C)C)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:51.55,73.84,83.87,31.36,5.4,wD:57.72,39.49,23.28,12.20,(10.22,12.44,;9.73,11.04,;10.69,9.91,;10.16,8.49,;11.09,7.36,;8.69,8.25,;7.58,9.33,;6.25,8.6,;6.47,7.14,;8.01,6.89,;8.69,5.56,;10.34,5.13,;7.76,4.7,;8.05,3.19,;9.4,2.76,;10.56,3.77,;11.98,3.34,;13.07,4.34,;14.52,3.91,;12.73,5.81,;6.36,5.25,;5.17,4.27,;3.75,4.73,;5.43,2.76,;6.79,2.3,;7.11,.79,;6.64,-.49,;8.54,.28,;4.27,1.76,;2.87,2.26,;2.59,3.77,;1.73,1.23,;1.97,-.25,;3.45,-.72,;3.77,-2.23,;4.1,.15,;.26,1.68,;-.83,.68,;-2.3,1.12,;-.5,-.83,;.97,-1.29,;1.33,-2.76,;.22,-3.83,;.66,-5.34,;2.12,-5.74,;2.48,-7.21,;3.27,-4.67,;2.81,-3.11,;-1.58,-1.87,;-2.98,-1.43,;-3.37,.08,;-4.09,-2.51,;-5.56,-2.12,;-6.7,-3.19,;-3.76,-3.99,;-4.84,-5.02,;-6.31,-4.63,;-4.45,-6.49,;-2.94,-6.89,;-2.63,-8.53,;-1.14,-8.92,;-.74,-10.41,;-1.83,-11.5,;-3.32,-11.1,;-4.41,-12.19,;-5.89,-11.79,;-6.29,-10.3,;-5.2,-9.22,;-3.72,-9.61,;-5.56,-7.56,;-5.96,-9.05,;-7.01,-7.21,;-7.41,-5.74,;-8.1,-8.33,;-9.59,-7.89,;-9.99,-6.42,;-11.44,-5.87,;-11.3,-4.34,;-9.79,-3.94,;-9,-5.27,;-7.71,-9.82,;-8.81,-10.93,;-8.46,-12.44,;-10.37,-10.57,;-10.93,-9.1,;-12.5,-9.1,;-12.97,-10.64,;-14.52,-11.2,;-11.66,-11.59,)| Show InChI InChI=1S/C62H87N15O12/c1-7-66-58(86)50-18-12-26-77(50)61(89)44(17-11-25-67-62(63)64)70-54(82)45(27-35(2)3)71-55(83)46(28-36(4)5)72-56(84)47(29-37-19-21-41(79)22-20-37)73-57(85)49(33-78)75-59(87)51(30-39-15-10-14-38-13-8-9-16-42(38)39)76(6)60(88)48(31-40-32-65-34-68-40)74-53(81)43-23-24-52(80)69-43/h8-10,13-16,19-22,32,34-36,43-51,78-79H,7,11-12,17-18,23-31,33H2,1-6H3,(H,65,68)(H,66,86)(H,69,80)(H,70,82)(H,71,83)(H,72,84)(H,73,85)(H,74,81)(H,75,87)(H4,63,64,67)/t43-,44-,45-,46+,47-,48-,49-,50-,51-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.24	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