BDBM50331020 (S)-5-((2S,3S)-1-((2S,5S,8S,11S,20S)-8-((1H-imidazol-5-yl)methyl)-11-((S)-1-amino-6-guanidino-1-oxohexan-2-ylcarbamoyl)-5-butyl-2-isobutyl-3,6,9,14,21-pentaoxo-1,4,7,10,15-pentaazacyclohenicosan-20-ylamino)-3-methyl-1-oxopentan-2-ylamino)-4-(2-((S)-2-(2-amino-2-methylpropanamido)-3-methylbutanamido)-2-methylpropanamido)-5-oxopentanoic acid::CHEMBL1276263

SMILES: CCCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=O)CC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(=O)N[C@@H](CCCCN=C(N)N)C(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC

InChI Key: InChIKey=TZYSDNYELDWAAW-NPUXMWKKSA-N

Data: 1 EC50

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 = 50331020   

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
Parathyroid hormone receptor (Homo sapiens (Human))	BDBM50331020 ((S)-5-((2S,3S)-1-((2S,5S,8S,11S,20S)-8-((1H-imidaz...) Show SMILES CCCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=O)CC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(=O)N[C@@H](CCCCN=C(N)N)C(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC |r,wU:4.3,88.90,26.41,62.69,77.79,16.56,43.44,wD:8.8,30.30,58.60,(18.41,-10.07,;19.72,-10.88,;19.65,-12.42,;20.95,-13.24,;20.9,-14.78,;19.54,-15.5,;18.21,-14.73,;18.21,-13.19,;16.88,-15.5,;16.88,-17.03,;18.21,-17.8,;18.21,-19.34,;19.54,-17.03,;15.54,-14.73,;14.23,-15.55,;14.29,-17.09,;12.87,-14.82,;12.81,-13.27,;14.13,-12.46,;14.08,-10.91,;15.38,-10.1,;15.76,-8.45,;27.58,-11.05,;28.92,-10.28,;27.58,-12.59,;28.91,-13.36,;28.91,-14.9,;27.57,-15.67,;26.25,-14.89,;26.25,-13.34,;24.91,-15.66,;24.91,-17.19,;26.13,-18.13,;27.59,-17.72,;28.46,-18.99,;27.5,-20.21,;26.05,-19.67,;23.57,-14.89,;22.2,-15.59,;22.14,-17.13,;30.24,-15.67,;30.23,-17.2,;31.55,-14.85,;32.87,-15.63,;34.22,-14.89,;34.25,-13.34,;32.94,-12.55,;32.97,-11.02,;31.65,-10.22,;31.72,-8.68,;33.05,-7.9,;30.35,-7.85,;32.84,-17.17,;34.16,-17.96,;31.5,-17.91,;11.54,-15.6,;10.18,-14.87,;10.18,-13.34,;8.92,-15.72,;7.68,-14.81,;6.35,-15.58,;6.35,-17.12,;5.01,-14.8,;5.01,-13.25,;6.35,-12.48,;6.35,-10.94,;5.03,-10.17,;7.69,-10.16,;3.69,-15.59,;2.35,-14.82,;2.35,-13.27,;1.02,-15.6,;2.01,-16.78,;.02,-16.78,;-.32,-14.83,;-1.65,-15.6,;-1.65,-17.16,;-3,-14.83,;-4.33,-15.6,;-5.66,-14.81,;-5.66,-13.26,;-6.99,-15.58,;-6,-16.78,;-8,-16.78,;-8.37,-14.82,;-3,-13.28,;-1.65,-12.51,;-4.35,-12.51,;8.93,-17.24,;10.24,-18,;7.62,-18,;7.6,-19.52,)| Show InChI InChI=1S/C60H104N18O14/c1-12-14-19-37-48(83)74-42(29-35-30-65-31-68-35)53(88)71-39(50(85)69-36(47(61)82)20-15-18-27-67-58(62)63)22-24-43(79)66-26-17-16-21-38(49(84)73-41(28-32(3)4)52(87)70-37)72-54(89)46(34(7)13-2)76-51(86)40(23-25-44(80)81)75-57(92)60(10,11)78-55(90)45(33(5)6)77-56(91)59(8,9)64/h30-34,36-42,45-46H,12-29,64H2,1-11H3,(H2,61,82)(H,65,68)(H,66,79)(H,69,85)(H,70,87)(H,71,88)(H,72,89)(H,73,84)(H,74,83)(H,75,92)(H,76,86)(H,77,91)(H,78,90)(H,80,81)(H4,62,63,67)/t34-,36-,37-,38-,39-,40-,41-,42-,45-,46-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Agonist activity at recombinant PTHR1 expressed in HEK293 cells co-transfected with CRE-Luc assessed as increase of adenylyl-cyclase activity after 4...				J Med Chem 53: 8072-9 (2010) Article DOI: 10.1021/jm1008264 BindingDB Entry DOI: 10.7270/Q2GM87KQ
					More data for this Ligand-Target Pair