BDBM50405775 CHEMBL2369806

SMILES: CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1c[nH]c2ccccc12

InChI Key: InChIKey=AMGVBWSQFZWHLF-WKSNNGRJSA-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 = 50405775   

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)	BDBM50405775 (CHEMBL2369806) 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](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1c[nH]c2ccccc12 |wU:5.4,42.44,31.32,23.24,wD:54.57,12.13,(27.82,-9.83,;26.35,-9.43,;25.96,-7.93,;24.48,-7.54,;23.37,-8.61,;24.07,-6.04,;25.05,-4.85,;24.22,-3.56,;22.72,-3.95,;22.63,-5.49,;21.31,-4.72,;21.33,-3.18,;19.99,-5.49,;19.96,-7.03,;21.28,-7.81,;21.27,-9.35,;22.6,-10.14,;22.56,-11.68,;21.24,-12.43,;23.9,-12.46,;18.64,-4.69,;17.3,-5.49,;17.33,-7.03,;15.98,-4.73,;15.95,-3.19,;17.27,-2.41,;17.27,-.87,;18.62,-3.15,;14.64,-5.5,;13.29,-4.75,;13.29,-3.21,;11.98,-5.53,;11.98,-7.07,;13.32,-7.83,;14.63,-7.04,;15.95,-7.8,;15.99,-9.34,;14.66,-10.12,;13.32,-9.35,;10.63,-4.76,;9.3,-5.55,;9.31,-7.09,;7.93,-4.79,;7.93,-3.24,;9.27,-2.45,;9.25,-.91,;10.6,-.14,;11.93,-.9,;13.26,-.11,;11.94,-2.44,;10.62,-3.22,;6.62,-5.56,;5.27,-4.81,;5.27,-3.27,;3.96,-5.59,;3.96,-7.13,;5.3,-7.89,;2.61,-4.82,;1.26,-5.61,;1.29,-7.16,;-.06,-4.85,;-.09,-3.32,;-1.41,-2.55,;-2.84,-3.19,;-3.87,-2.05,;-3.1,-.71,;-3.59,.76,;-2.57,1.91,;-1.06,1.6,;-.57,.15,;-1.59,-1.03,)| Show InChI InChI=1S/C51H69N11O9/c1-4-54-49(70)43-17-11-25-62(43)50(71)38(16-10-24-55-51(52)53)58-45(66)39(26-31(2)3)59-46(67)40(27-32-12-6-5-7-13-32)60-47(68)41(28-33-18-21-35(64)22-19-33)61-48(69)42(30-63)57-44(65)23-20-34-29-56-37-15-9-8-14-36(34)37/h5-9,12-15,18-19,21-22,29,31,38-43,56,63-64H,4,10-11,16-17,20,23-28,30H2,1-3H3,(H,54,70)(H,57,65)(H,58,66)(H,59,67)(H,60,68)(H,61,69)(H4,52,53,55)/t38-,39-,40+,41-,42-,43-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	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