BDBM84722 leuprolide 4NMeSer

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)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1

InChI Key: InChIKey=YTZWJDPXOKEIFF-HXWQOLAOSA-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 = 84722   

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)	BDBM84722 (leuprolide 4NMeSer) 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)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1 |r,wU:51.55,72.83,82.86,31.36,5.4,wD:58.72,39.49,23.28,12.20,(10.22,12.44,;9.73,11.04,;10.69,9.91,;10.16,8.5,;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,-7.22,;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,;-2.27,-4.39,;-4.84,-5.02,;-6.31,-4.63,;-4.45,-6.49,;-2.94,-6.89,;-2.51,-8.36,;-1.14,-8.86,;-1.18,-10.4,;-2.61,-10.84,;-3.29,-12.23,;-4.91,-12.31,;-5.73,-10.97,;-5.02,-9.57,;-3.46,-9.5,;-5.56,-7.57,;-7.01,-7.22,;-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,;-12.98,-10.64,;-14.52,-11.2,;-11.66,-11.59,)| Show InChI InChI=1S/C60H86N16O12/c1-7-64-56(85)48-15-11-23-76(48)59(88)42(14-10-22-65-60(61)62)69-52(81)43(24-33(2)3)70-53(82)44(25-34(4)5)71-54(83)45(26-35-16-18-38(78)19-17-35)73-57(86)49(31-77)75(6)58(87)47(27-36-29-66-40-13-9-8-12-39(36)40)74-55(84)46(28-37-30-63-32-67-37)72-51(80)41-20-21-50(79)68-41/h8-9,12-13,16-19,29-30,32-34,41-49,66,77-78H,7,10-11,14-15,20-28,31H2,1-6H3,(H,63,67)(H,64,85)(H,68,79)(H,69,81)(H,70,82)(H,71,83)(H,72,80)(H,73,86)(H,74,84)(H4,61,62,65)/t41-,42-,43-,44+,45-,46-,47-,48-,49-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.41	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