BDBM50230121 CHEMBL217405

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](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1

InChI Key: InChIKey=KNKCPWNOPJALKV-OOJNOFERSA-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 = 50230121   

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)	BDBM50230121 (CHEMBL217405) 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](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1 |wU:39.49,57.71,31.36,23.28,5.4,82.86,wD:51.55,71.83,12.20,(27.09,-8.95,;27.46,-10.44,;28.95,-10.86,;30.04,-11.96,;31.53,-11.6,;29.6,-13.45,;30.55,-14.67,;29.69,-15.94,;28.21,-15.52,;28.15,-13.97,;26.88,-13.11,;26.98,-11.58,;25.49,-13.78,;25.37,-15.33,;26.65,-16.2,;26.55,-17.73,;27.83,-18.59,;27.71,-20.12,;29,-21,;26.33,-20.8,;24.21,-12.92,;22.82,-13.6,;22.72,-15.13,;21.54,-12.73,;21.65,-11.2,;23.04,-10.52,;24.32,-11.38,;23.14,-8.97,;20.15,-13.41,;18.89,-12.55,;18.99,-11.01,;17.49,-13.23,;17.38,-14.76,;18.15,-16.1,;17.36,-17.42,;19.68,-16.11,;16.21,-12.36,;14.83,-13.03,;14.71,-14.57,;13.55,-12.17,;13.66,-10.62,;15.04,-9.95,;15.15,-8.42,;16.54,-7.74,;17.82,-8.6,;19.2,-7.93,;17.71,-10.14,;16.31,-10.81,;12.16,-12.85,;10.88,-11.97,;10.99,-10.44,;9.49,-12.64,;9.38,-14.19,;10.67,-15.06,;8.21,-11.79,;6.83,-12.46,;6.71,-14.01,;5.54,-11.6,;5.65,-10.07,;7.05,-9.39,;8.58,-9.18,;8.85,-7.67,;7.49,-6.93,;7.12,-5.44,;5.63,-5,;4.53,-6.07,;4.89,-7.56,;6.37,-8,;4.17,-12.27,;2.88,-11.41,;3,-9.87,;1.49,-12.09,;1.38,-13.62,;2.14,-14.94,;3.65,-14.94,;4.41,-16.27,;3.65,-17.59,;2.12,-17.58,;1.37,-16.26,;.22,-11.23,;-1.18,-11.9,;-1.28,-13.43,;-2.34,-11.11,;-2.34,-9.69,;-3.87,-9.45,;-4.55,-10.83,;-6.06,-11.09,;-3.45,-11.92,)| Show InChI InChI=1S/C62H86N14O12/c1-6-65-60(87)51-19-13-27-76(51)61(88)44(18-12-26-66-62(63)64)69-54(81)45(28-35(2)3)70-55(82)46(29-36(4)5)71-56(83)48(31-38-20-22-40(78)23-21-38)73-59(86)50(34-77)75-58(85)49(32-39-33-67-42-17-11-10-16-41(39)42)74-57(84)47(30-37-14-8-7-9-15-37)72-53(80)43-24-25-52(79)68-43/h7-11,14-17,20-23,33,35-36,43-51,67,77-78H,6,12-13,18-19,24-32,34H2,1-5H3,(H,65,87)(H,68,79)(H,69,81)(H,70,82)(H,71,83)(H,72,80)(H,73,86)(H,74,84)(H,75,85)(H4,63,64,66)/t43-,44-,45-,46+,47-,48-,49-,50-,51+/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 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