BDBM50354718 CHEMBL1834392

SMILES: CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NCCCCCCN=[N+]=[N-])C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O

InChI Key: InChIKey=QTNVQOZDRJOWFT-FOFOYKBHSA-N

Data: 1 IC50

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 = 50354718   

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
Melanocortin receptor 1 (Mus musculus)	BDBM50354718 (CHEMBL1834392) Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NCCCCCCN=[N+]=[N-])C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:26.29,8.10,4.4,83.85,101.105,117.122,wD:14.23,42.42,51.51,61.62,72.74,113.119,(18.25,-8.83,;18.25,-10.37,;16.92,-11.14,;16.92,-12.68,;15.59,-13.46,;14.26,-12.68,;12.92,-13.46,;12.92,-14.99,;11.58,-12.68,;11.58,-11.14,;12.92,-10.37,;10.25,-13.46,;8.92,-12.68,;8.92,-11.14,;7.58,-13.46,;7.58,-14.99,;8.92,-15.77,;10.25,-15,;11.57,-15.76,;11.57,-17.31,;12.9,-18.08,;10.24,-18.08,;8.92,-17.3,;6.25,-12.68,;4.91,-13.46,;4.91,-14.99,;3.58,-12.68,;3.58,-11.14,;2.25,-10.37,;2.25,-13.46,;.91,-12.69,;-.41,-13.46,;-1.75,-12.7,;-3.08,-13.47,;-4.4,-12.71,;-5.73,-13.48,;-7.06,-12.72,;-8.6,-12.71,;-10.14,-12.7,;15.59,-14.99,;14.26,-15.77,;16.92,-15.77,;16.92,-17.3,;15.59,-18.08,;15.59,-19.61,;14.26,-20.39,;12.92,-19.61,;14.26,-21.93,;18.25,-18.08,;19.59,-17.3,;18.25,-19.61,;19.59,-20.39,;19.59,-21.93,;18.25,-22.7,;18.1,-24.23,;16.59,-24.55,;15.82,-23.22,;16.86,-22.07,;20.93,-19.61,;20.93,-18.08,;22.26,-20.39,;23.59,-19.61,;23.59,-18.08,;24.93,-17.3,;26.26,-18.08,;27.59,-17.3,;27.59,-15.77,;26.26,-14.99,;24.93,-15.77,;24.93,-20.39,;24.93,-21.93,;26.27,-19.61,;27.6,-20.39,;27.6,-21.93,;28.93,-22.7,;28.93,-24.24,;30.27,-25.01,;30.27,-26.55,;28.93,-27.33,;31.6,-27.33,;28.93,-19.61,;28.93,-18.08,;30.27,-20.39,;31.6,-19.61,;31.6,-18.08,;32.94,-17.3,;34.34,-17.93,;35.38,-16.79,;34.61,-15.45,;35.09,-13.99,;34.06,-12.84,;32.55,-13.16,;32.07,-14.62,;33.1,-15.77,;32.94,-20.39,;32.94,-21.93,;34.28,-19.61,;35.61,-20.39,;36.94,-19.61,;36.94,-18.08,;38.28,-20.39,;39.61,-19.61,;39.61,-18.08,;38.28,-17.3,;38.28,-15.77,;39.61,-14.99,;39.61,-13.46,;40.95,-20.39,;42.28,-19.61,;40.95,-21.93,;39.7,-22.84,;40.17,-24.3,;41.71,-24.3,;42.2,-22.84,;43.49,-22.01,;43.5,-20.47,;44.82,-22.79,;46.16,-22.03,;46.17,-20.49,;47.51,-19.73,;44.84,-19.71,;47.49,-22.81,;47.47,-24.35,;48.83,-22.05,)| Show InChI InChI=1S/C82H120N24O18/c1-4-5-22-56(97-79(122)65(46-108)103-76(119)61(39-50-27-29-53(109)30-28-50)100-78(121)64(45-107)89-34-15-6-7-16-36-94-105-87)72(115)98-58(31-32-68(111)112)74(117)102-63(41-52-43-88-47-93-52)77(120)99-60(38-49-19-9-8-10-20-49)75(118)96-57(25-17-35-90-82(85)86)73(116)101-62(40-51-42-91-55-23-12-11-21-54(51)55)71(114)92-44-67(110)95-59(24-13-14-33-83)81(124)106-37-18-26-66(106)80(123)104-69(48(2)3)70(84)113/h8-12,19-21,23,27-30,42-43,47-48,56-66,69,89,91,107-109H,4-7,13-18,22,24-26,31-41,44-46,83H2,1-3H3,(H2,84,113)(H,88,93)(H,92,114)(H,95,110)(H,96,118)(H,97,122)(H,98,115)(H,99,120)(H,100,121)(H,101,116)(H,102,117)(H,103,119)(H,104,123)(H,111,112)(H4,85,86,90)/t56-,57-,58-,59-,60+,61-,62-,63-,64-,65-,66-,69-/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Displacement of [125I]-[Nle4-D-Phe7]-alpha-MSH from MC1R in mouse B16-F10 cells after 1.5 hrs by gamma counting				Bioorg Med Chem Lett 21: 5757-61 (2011) Article DOI: 10.1016/j.bmcl.2011.08.017 BindingDB Entry DOI: 10.7270/Q2H132DZ
					More data for this Ligand-Target Pair