BDBM84701 CAS_35263-73-1::LHRH

SMILES: CC(C)C[C@H](NC(=O)CNC(=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@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(O)=O

InChI Key: InChIKey=IGACZQNUZMBGFX-AQJXLSMYSA-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 = 84701   

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)	BDBM84701 (CAS_35263-73-1 | LHRH) Show SMILES CC(C)C[C@H](NC(=O)CNC(=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@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(O)=O |r,wU:30.43,12.21,4.4,wD:24.27,44.54,54.57,63.67,77.83,(8.46,2.13,;7.11,2.91,;7.08,4.45,;5.79,2.1,;5.81,.57,;4.48,-.19,;3.13,.55,;3.1,2.06,;1.8,-.22,;.47,.51,;-.84,-.24,;-.82,-1.77,;-2.18,.49,;-2.2,2.02,;-.86,2.81,;-.89,4.35,;.42,5.13,;1.75,4.37,;3.09,5.15,;1.77,2.83,;.44,2.03,;-3.51,-.27,;-4.87,.45,;-4.87,2,;-6.18,-.29,;-6.18,-1.83,;-4.83,-2.59,;-7.51,.44,;-8.85,-.3,;-8.82,-1.84,;-10.18,.41,;-10.2,1.94,;-8.86,2.73,;-7.58,1.91,;-6.39,2.91,;-6.95,4.28,;-6.27,5.67,;-7.13,7.02,;-8.67,6.9,;-9.39,5.5,;-8.52,4.2,;-11.49,-.34,;-12.84,.39,;-12.84,1.94,;-14.19,-.36,;-14.18,-1.88,;-12.81,-2.66,;-11.41,-2.01,;-10.38,-3.2,;-11.13,-4.5,;-12.64,-4.19,;-15.52,.37,;-16.85,-.37,;-16.85,-1.91,;-18.18,.34,;-17.2,-.73,;-17.89,-2.19,;-19.42,-1.88,;-20.72,-2.66,;-19.42,-.37,;7.14,-.19,;7.16,-1.69,;8.47,.6,;9.81,-.14,;9.82,-1.65,;11.14,-2.41,;11.17,-3.96,;12.52,-4.7,;12.53,-6.24,;11.18,-7.02,;13.88,-6.99,;11.13,.63,;11.11,2.17,;12.45,-.14,;12.48,-1.54,;14.07,-1.8,;14.65,-.45,;13.93,.71,;15.39,-.14,;15.39,-1.77,;16.71,.64,;18.06,-.13,;19.38,.66,;20.72,-.1,;19.38,2.18,)| Show InChI InChI=1S/C55H74N16O14/c1-29(2)19-38(49(80)66-37(9-5-17-59-55(56)57)54(85)71-18-6-10-43(71)53(84)62-26-46(76)77)65-45(75)25-61-47(78)39(20-30-11-13-33(73)14-12-30)67-52(83)42(27-72)70-50(81)40(21-31-23-60-35-8-4-3-7-34(31)35)68-51(82)41(22-32-24-58-28-63-32)69-48(79)36-15-16-44(74)64-36/h3-4,7-8,11-14,23-24,28-29,36-43,60,72-73H,5-6,9-10,15-22,25-27H2,1-2H3,(H,58,63)(H,61,78)(H,62,84)(H,64,74)(H,65,75)(H,66,80)(H,67,83)(H,68,82)(H,69,79)(H,70,81)(H,76,77)(H4,56,57,59)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.26	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