BDBM50405772 CHEMBL2369787

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)\C=C/c1ccc(OC)cc1

InChI Key: InChIKey=HXFNFYNLVICVMK-KEYNBIDKSA-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 = 50405772   

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)	BDBM50405772 (CHEMBL2369787) 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)\C=C/c1ccc(OC)cc1 |wU:5.4,31.32,45.48,23.24,wD:57.61,12.13,(32.43,-18.06,;30.96,-17.65,;30.57,-16.16,;29.09,-15.76,;27.98,-16.85,;28.68,-14.27,;29.66,-13.08,;28.83,-11.78,;27.33,-12.17,;27.24,-13.7,;25.92,-12.93,;25.94,-11.4,;24.6,-13.7,;24.58,-15.24,;25.89,-16.05,;25.86,-17.57,;27.21,-18.35,;27.17,-19.89,;25.85,-20.65,;28.51,-20.68,;23.25,-12.92,;21.91,-13.7,;21.95,-15.24,;20.59,-12.96,;20.57,-11.4,;21.88,-10.63,;23.23,-11.38,;21.88,-9.09,;19.25,-13.74,;17.91,-12.97,;17.91,-11.43,;16.59,-13.76,;16.59,-15.3,;17.94,-16.05,;19.35,-15.43,;20.37,-16.56,;19.63,-17.89,;20.12,-19.37,;19.09,-20.5,;17.57,-20.21,;17.09,-18.74,;18.1,-17.58,;15.24,-13,;13.92,-13.77,;13.93,-15.31,;12.55,-13.02,;12.55,-11.46,;13.89,-10.69,;15.23,-11.45,;16.56,-10.66,;16.55,-9.12,;17.87,-8.35,;15.21,-8.37,;13.86,-9.15,;11.24,-13.8,;9.89,-13.03,;9.89,-11.49,;8.57,-13.83,;8.57,-15.36,;9.92,-16.11,;7.23,-13.06,;5.88,-13.83,;5.91,-15.39,;4.55,-13.08,;3.22,-13.86,;3.22,-15.4,;4.56,-16.14,;4.56,-17.68,;3.24,-18.47,;3.25,-19.99,;4.59,-20.76,;1.9,-17.71,;1.9,-16.17,)| Show InChI InChI=1S/C52H69N11O10/c1-5-55-50(71)44-13-9-25-63(44)51(72)39(12-8-24-56-52(53)54)59-46(67)40(26-31(2)3)60-48(69)42(28-34-29-57-38-11-7-6-10-37(34)38)62-47(68)41(27-33-14-19-35(65)20-15-33)61-49(70)43(30-64)58-45(66)23-18-32-16-21-36(73-4)22-17-32/h6-7,10-11,14-23,29,31,39-44,57,64-65H,5,8-9,12-13,24-28,30H2,1-4H3,(H,55,71)(H,58,66)(H,59,67)(H,60,69)(H,61,70)(H,62,68)(H4,53,54,56)/b23-18-/t39-,40-,41-,42+,43-,44-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40	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