BDBM50405783 CHEMBL2369807

SMILES: CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)Cc1cccc2ccccc12

InChI Key: InChIKey=DYNUXTMQIMXIOO-NXINJGQHSA-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 = 50405783   

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)	BDBM50405783 (CHEMBL2369807) 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](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)Cc1cccc2ccccc12 |wU:5.4,31.32,45.48,23.24,wD:57.61,12.13,(27.95,-13.77,;26.48,-13.39,;26.09,-11.88,;24.61,-11.5,;23.49,-12.58,;24.2,-9.99,;25.18,-8.8,;24.35,-7.52,;22.85,-7.9,;22.76,-9.44,;21.44,-8.67,;21.46,-7.13,;20.11,-9.44,;20.09,-10.98,;21.41,-11.77,;21.4,-13.31,;22.72,-14.09,;22.69,-15.63,;21.37,-16.37,;24.03,-16.4,;18.77,-8.64,;17.43,-9.44,;17.46,-10.98,;16.1,-8.67,;16.08,-7.13,;17.4,-6.36,;18.75,-7.1,;17.4,-4.82,;14.77,-9.46,;13.42,-8.7,;13.42,-7.16,;12.1,-9.47,;12.1,-11.01,;13.45,-11.78,;14.86,-11.14,;15.89,-12.29,;15.14,-13.61,;15.63,-15.09,;14.61,-16.24,;13.09,-15.94,;12.61,-14.48,;13.61,-13.31,;10.76,-8.73,;9.43,-9.51,;9.44,-11.05,;8.06,-8.74,;8.06,-7.2,;9.4,-6.42,;9.38,-4.88,;10.73,-4.09,;12.06,-4.85,;13.39,-4.07,;12.07,-6.39,;10.75,-7.16,;6.75,-9.53,;5.4,-8.77,;5.4,-7.23,;4.09,-9.56,;4.09,-11.08,;5.43,-11.85,;2.74,-8.79,;1.39,-9.57,;1.42,-11.11,;.06,-8.8,;-1.27,-9.59,;-1.25,-11.11,;-2.59,-11.88,;-3.94,-11.13,;-3.94,-9.59,;-5.25,-8.83,;-5.28,-7.29,;-3.94,-6.52,;-2.62,-7.28,;-2.6,-8.82,)| Show InChI InChI=1S/C54H69N11O9/c1-4-57-52(73)46-19-11-25-65(46)53(74)41(18-10-24-58-54(55)56)61-48(69)42(26-32(2)3)62-50(71)44(28-36-30-59-40-17-8-7-16-39(36)40)64-49(70)43(27-33-20-22-37(67)23-21-33)63-51(72)45(31-66)60-47(68)29-35-14-9-13-34-12-5-6-15-38(34)35/h5-9,12-17,20-23,30,32,41-46,59,66-67H,4,10-11,18-19,24-29,31H2,1-3H3,(H,57,73)(H,60,68)(H,61,69)(H,62,71)(H,63,72)(H,64,70)(H4,55,56,58)/t41-,42-,43-,44+,45-,46-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratory Curated by ChEMBL					Assay Description In vitro binding affinity for Luteinizing hormone releasing hormone receptor from rat pituitary cells, expressed as negative logarithm of the equilib...				J Med Chem 32: 2340-4 (1989) BindingDB Entry DOI: 10.7270/Q2H70H1B
					More data for this Ligand-Target Pair