BDBM50230126 CHEMBL385468

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)[C@@H]1CCC(=O)N1

InChI Key: InChIKey=GFIJNRVAKGFPGQ-RCADZFCGSA-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 = 50230126   

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)	BDBM50230126 (CHEMBL385468) 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)[C@@H]1CCC(=O)N1 |wU:39.49,57.71,31.36,23.28,5.4,81.85,wD:51.55,71.82,12.20,(25.64,-6.44,;26.03,-7.92,;27.52,-8.34,;28.58,-9.43,;30.09,-9.08,;28.17,-10.92,;29.11,-12.14,;28.24,-13.43,;26.77,-13,;26.7,-11.45,;25.43,-10.59,;25.54,-9.05,;24.05,-11.27,;23.94,-12.8,;25.22,-13.67,;25.1,-15.21,;26.38,-16.06,;26.26,-17.6,;27.56,-18.46,;24.89,-18.28,;22.77,-10.4,;21.39,-11.07,;21.27,-12.61,;20.11,-10.2,;20.2,-8.67,;21.6,-7.99,;22.87,-8.85,;21.71,-6.46,;18.72,-10.89,;17.44,-10.03,;17.55,-8.48,;16.05,-10.7,;15.95,-12.23,;16.71,-13.56,;18.25,-13.58,;15.93,-14.89,;14.77,-9.83,;13.39,-10.5,;13.28,-12.05,;12.12,-9.64,;12.22,-8.11,;13.61,-7.44,;14.89,-8.3,;16.27,-7.62,;16.37,-6.08,;17.77,-5.41,;15.1,-5.21,;13.72,-5.9,;10.73,-10.31,;9.45,-9.46,;9.55,-7.9,;8.06,-10.13,;7.95,-11.66,;9.24,-12.54,;6.79,-9.27,;5.39,-9.94,;5.28,-11.48,;4.12,-9.08,;4.23,-7.54,;5.62,-6.87,;7.15,-6.65,;7.41,-5.14,;6.06,-4.41,;5.7,-2.91,;4.21,-2.48,;3.1,-3.55,;3.47,-5.05,;4.94,-5.48,;2.74,-9.75,;1.45,-8.89,;1.56,-7.34,;.08,-9.56,;-.04,-11.1,;1.24,-11.96,;1.28,-13.51,;2.77,-13.94,;3.63,-12.66,;2.68,-11.43,;-1.21,-8.71,;-2.59,-9.38,;-2.71,-10.92,;-3.76,-8.59,;-3.76,-7.16,;-5.29,-6.93,;-5.97,-8.31,;-7.49,-8.57,;-4.87,-9.39,)| Show InChI InChI=1S/C59H84N16O12/c1-6-63-57(86)48-14-10-22-75(48)58(87)41(13-9-21-64-59(60)61)68-51(80)42(23-32(2)3)69-52(81)43(24-33(4)5)70-53(82)44(25-34-15-17-37(77)18-16-34)71-56(85)47(30-76)74-54(83)45(26-35-28-65-39-12-8-7-11-38(35)39)72-55(84)46(27-36-29-62-31-66-36)73-50(79)40-19-20-49(78)67-40/h7-8,11-12,15-18,28-29,31-33,40-48,65,76-77H,6,9-10,13-14,19-27,30H2,1-5H3,(H,62,66)(H,63,86)(H,67,78)(H,68,80)(H,69,81)(H,70,82)(H,71,85)(H,72,84)(H,73,79)(H,74,83)(H4,60,61,64)/t40-,41-,42-,43+,44-,45-,46-,47-,48+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	0.186	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