BDBM50230125 CHEMBL274682

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](Cc1c[nH]cn1)NC(=O)CN(C)C(C)=O

InChI Key: InChIKey=LYYWSOWHMNOYFI-IODWVJHOSA-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 = 50230125   

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/Choriogonadotropin receptor (Rattus norvegicus)	BDBM50230125 (CHEMBL274682) 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](Cc1c[nH]cn1)NC(=O)CN(C)C(C)=O |wU:39.49,57.71,31.36,23.28,wD:51.55,12.20,5.4,71.82,(26.08,-5.67,;26.47,-7.16,;27.96,-7.58,;29.03,-8.67,;30.53,-8.31,;28.61,-10.15,;29.55,-11.37,;28.68,-12.66,;27.21,-12.23,;27.15,-10.69,;25.87,-9.83,;25.98,-8.29,;24.49,-10.5,;24.38,-12.03,;25.66,-12.91,;25.54,-14.44,;26.82,-15.3,;26.7,-16.84,;28,-17.7,;25.33,-17.51,;23.21,-9.63,;21.83,-10.31,;21.71,-11.85,;20.55,-9.43,;20.65,-7.9,;22.04,-7.23,;23.31,-8.09,;22.15,-5.7,;19.16,-10.12,;17.88,-9.26,;17.99,-7.71,;16.49,-9.94,;16.39,-11.47,;17.14,-12.8,;18.67,-12.82,;16.37,-14.14,;15.21,-9.06,;13.84,-9.73,;13.72,-11.28,;12.56,-8.88,;12.66,-7.34,;14.05,-6.67,;15.33,-7.53,;16.71,-6.86,;16.81,-5.32,;18.21,-4.64,;15.54,-4.44,;14.16,-5.13,;11.17,-9.55,;9.89,-8.69,;9.99,-7.15,;8.5,-9.36,;8.39,-10.9,;9.68,-11.77,;7.23,-8.5,;5.83,-9.18,;5.72,-10.71,;4.56,-8.31,;4.67,-6.78,;6.06,-6.11,;7.59,-5.88,;7.85,-4.37,;6.5,-3.64,;6.14,-2.14,;4.65,-1.72,;3.54,-2.79,;3.91,-4.28,;5.39,-4.71,;3.18,-8.98,;1.89,-8.12,;2,-6.58,;.52,-8.8,;.4,-10.34,;1.68,-11.2,;1.73,-12.74,;3.21,-13.17,;4.07,-11.89,;3.12,-10.66,;-.77,-7.94,;-2.15,-8.61,;-2.27,-10.15,;-3.32,-7.82,;-4.43,-8.62,;-4.55,-10.15,;-5.52,-7.54,;-7,-7.95,;-5.13,-6.07,)| Show InChI InChI=1S/C59H86N16O12/c1-8-63-57(86)49-16-12-22-75(49)58(87)42(15-11-21-64-59(60)61)68-51(80)43(23-33(2)3)69-52(81)44(24-34(4)5)70-53(82)45(25-36-17-19-39(78)20-18-36)71-56(85)48(31-76)73-54(83)46(26-37-28-65-41-14-10-9-13-40(37)41)72-55(84)47(27-38-29-62-32-66-38)67-50(79)30-74(7)35(6)77/h9-10,13-14,17-20,28-29,32-34,42-49,65,76,78H,8,11-12,15-16,21-27,30-31H2,1-7H3,(H,62,66)(H,63,86)(H,67,79)(H,68,80)(H,69,81)(H,70,82)(H,71,85)(H,72,84)(H,73,83)(H4,60,61,64)/t42-,43-,44+,45-,46-,47-,48-,49-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Negative logarithm of equilibrium dissociation constant in the rat pituitary luteinizing releasing hormone receptor binding assay				J Med Chem 35: 3890-4 (1992) BindingDB Entry DOI: 10.7270/Q24Q7X6M
					More data for this Ligand-Target Pair