BDBM50230122 CHEMBL415571

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](Cc1ccc(OC)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1

InChI Key: InChIKey=OVJUBSAGGRBLLG-DXXSMRTMSA-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 = 50230122   

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)	BDBM50230122 (CHEMBL415571) 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](Cc1ccc(OC)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 |wU:39.49,57.69,23.28,31.36,5.4,80.83,wD:51.55,70.80,12.20,(24.19,-10.58,;24.58,-12.06,;26.07,-12.48,;27.14,-13.57,;28.64,-13.22,;26.72,-15.06,;27.66,-16.28,;26.79,-17.57,;25.32,-17.14,;25.25,-15.59,;23.98,-14.73,;24.09,-13.19,;22.6,-15.41,;22.49,-16.94,;23.77,-17.81,;23.65,-19.35,;24.93,-20.21,;24.81,-21.75,;26.11,-22.61,;23.44,-22.42,;21.32,-14.54,;19.94,-15.21,;19.82,-16.75,;18.66,-14.34,;18.75,-12.81,;20.14,-12.13,;21.42,-12.99,;20.26,-10.6,;17.26,-15.03,;15.99,-14.17,;16.1,-12.62,;14.59,-14.84,;14.49,-16.37,;15.26,-17.71,;16.79,-17.72,;14.48,-19.03,;13.32,-13.97,;11.94,-14.64,;11.82,-16.19,;10.66,-13.78,;10.76,-12.25,;12.15,-11.57,;13.43,-12.43,;14.82,-11.76,;14.92,-10.22,;16.31,-9.55,;13.64,-9.34,;12.26,-10.03,;9.27,-14.45,;7.99,-13.59,;8.09,-12.05,;6.6,-14.27,;6.49,-15.8,;7.78,-16.68,;5.33,-13.41,;3.93,-14.08,;3.82,-15.62,;2.66,-13.22,;2.77,-11.68,;3.84,-10.59,;5.34,-10.97,;6.42,-9.88,;6.02,-8.39,;7.08,-7.32,;6.67,-5.84,;4.51,-8.01,;3.45,-9.11,;1.28,-13.89,;-.02,-13.03,;.1,-11.48,;-1.39,-13.7,;-1.5,-15.24,;-.22,-16.1,;-.18,-17.65,;1.31,-18.08,;2.17,-16.8,;1.22,-15.57,;-2.67,-12.84,;-4.06,-13.52,;-4.17,-15.06,;-5.23,-12.73,;-5.23,-11.3,;-6.75,-11.06,;-7.43,-12.45,;-8.96,-12.7,;-6.34,-13.53,)| Show InChI InChI=1S/C58H85N15O13/c1-7-62-56(84)47-11-9-23-73(47)57(85)40(10-8-22-63-58(59)60)66-50(78)41(24-32(2)3)67-51(79)42(25-33(4)5)68-52(80)43(26-34-12-16-37(75)17-13-34)70-55(83)46(30-74)72-53(81)44(27-35-14-18-38(86-6)19-15-35)69-54(82)45(28-36-29-61-31-64-36)71-49(77)39-20-21-48(76)65-39/h12-19,29,31-33,39-47,74-75H,7-11,20-28,30H2,1-6H3,(H,61,64)(H,62,84)(H,65,76)(H,66,78)(H,67,79)(H,68,80)(H,69,82)(H,70,83)(H,71,77)(H,72,81)(H4,59,60,63)/t39-,40-,41-,42+,43-,44-,45-,46-,47+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	0.155	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