BDBM84699 leuprolide 2 NMeHis

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

InChI Key: InChIKey=KNUQQDRZEJJUFX-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 = 84699   

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)	BDBM84699 (leuprolide 2 NMeHis) 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](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@@H]1CCC(=O)N1 |r,wU:51.55,71.82,82.86,31.36,5.4,wD:57.71,39.49,23.28,12.20,(10.23,12.45,;9.73,11.05,;10.7,9.91,;10.17,8.5,;11.1,7.36,;8.69,8.26,;7.58,9.33,;6.25,8.61,;6.47,7.15,;8.02,6.89,;8.69,5.56,;10.35,5.13,;7.76,4.71,;8.05,3.2,;9.41,2.76,;10.57,3.78,;11.99,3.34,;13.08,4.34,;14.53,3.91,;12.74,5.82,;6.36,5.25,;5.18,4.27,;3.75,4.73,;5.43,2.76,;6.8,2.3,;7.11,.79,;6.64,-.49,;8.55,.28,;4.27,1.76,;2.87,2.27,;2.59,3.78,;1.73,1.23,;1.98,-.25,;3.45,-.72,;3.78,-2.23,;4.1,.15,;.26,1.69,;-.83,.68,;-2.3,1.12,;-.5,-.83,;.97,-1.29,;1.33,-2.76,;.22,-3.84,;.66,-5.35,;2.12,-5.74,;2.48,-7.22,;3.27,-4.67,;2.81,-3.11,;-1.58,-1.87,;-2.98,-1.43,;-3.38,.08,;-4.09,-2.51,;-5.56,-2.12,;-6.7,-3.2,;-3.76,-3.99,;-4.84,-5.02,;-6.31,-4.63,;-4.45,-6.49,;-2.94,-6.89,;-2.51,-8.37,;-1.14,-8.86,;-1.18,-10.41,;-2.62,-10.84,;-3.29,-12.23,;-4.91,-12.32,;-5.73,-10.98,;-5.02,-9.57,;-3.46,-9.5,;-5.56,-7.57,;-7.01,-7.22,;-7.41,-5.74,;-8.1,-8.33,;-9.6,-7.9,;-10,-6.42,;-11.45,-5.88,;-11.3,-4.34,;-9.79,-3.94,;-9.01,-5.27,;-7.71,-9.83,;-6.18,-9.83,;-8.81,-10.94,;-8.46,-12.45,;-10.37,-10.58,;-10.94,-9.1,;-12.51,-9.1,;-12.98,-10.65,;-14.53,-11.21,;-11.66,-11.59,)| Show InChI InChI=1S/C60H86N16O12/c1-7-64-56(85)48-15-11-23-76(48)59(88)41(14-10-22-65-60(61)62)69-51(80)43(24-33(2)3)70-52(81)44(25-34(4)5)71-53(82)45(26-35-16-18-38(78)19-17-35)72-55(84)47(31-77)74-54(83)46(27-36-29-66-40-13-9-8-12-39(36)40)73-57(86)49(28-37-30-63-32-67-37)75(6)58(87)42-20-21-50(79)68-42/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,69,80)(H,70,81)(H,71,82)(H,72,84)(H,73,86)(H,74,83)(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	33.1	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