BDBM50441970 CHEMBL2440182

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]1[C@@H]([C@H]1C(=O)OC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]1[C@@H]([C@H]1C(=O)OC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

InChI Key: InChIKey=NQZMAKCSKQBECK-GEFWAURFSA-N

Data: 2 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 2 hits for monomerid = 50441970   

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
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50441970 (CHEMBL2440182) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]1[C@@H]([C@H]1C(=O)OC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]1[C@@H]([C@H]1C(=O)OC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:114.117,82.84,72.73,73.81,30.39,8.17,2.2,45.46,61.62,95.99,wD:103.106,74.77,20.28,4.4,53.54,93.95,94.103,(26.03,-19.12,;26.03,-17.58,;27.36,-16.82,;28.7,-17.58,;27.36,-15.28,;26.03,-14.51,;24.7,-15.28,;24.7,-16.82,;23.37,-14.51,;23.37,-12.97,;24.7,-12.2,;26.04,-12.96,;27.37,-12.2,;27.37,-10.66,;28.7,-9.89,;26.04,-9.88,;24.7,-10.66,;22.03,-15.28,;20.7,-14.51,;20.7,-12.97,;19.37,-15.28,;19.37,-16.82,;20.7,-17.58,;22.12,-16.96,;23.15,-18.1,;22.38,-19.44,;20.86,-19.12,;18.03,-14.51,;16.71,-15.28,;16.71,-16.82,;15.37,-14.51,;15.37,-12.97,;16.71,-12.2,;16.71,-10.66,;18.03,-9.89,;18.03,-8.35,;16.71,-7.58,;19.37,-7.58,;14.04,-15.28,;12.71,-14.51,;11.37,-15.28,;12.71,-12.97,;28.7,-14.51,;28.7,-12.97,;30.03,-15.28,;31.36,-14.51,;31.36,-12.97,;32.7,-12.2,;34.02,-12.97,;32.7,-10.66,;32.7,-15.28,;32.7,-16.82,;34.02,-14.51,;35.36,-15.28,;35.36,-16.82,;36.69,-17.58,;36.69,-19.12,;38.03,-16.82,;36.69,-14.51,;36.69,-12.97,;38.03,-15.28,;39.36,-14.51,;39.36,-12.97,;40.69,-12.2,;40.69,-10.66,;42.02,-9.89,;42.02,-8.35,;40.69,-7.58,;43.35,-7.58,;40.69,-15.28,;40.69,-16.82,;42.02,-14.51,;43.35,-15.28,;44.12,-16.61,;44.89,-15.28,;46.23,-14.51,;46.23,-12.97,;47.55,-15.28,;48.88,-14.51,;44.12,-18.15,;45.45,-18.92,;42.79,-18.92,;42.79,-20.45,;44.12,-21.22,;45.45,-20.45,;46.79,-21.22,;48.11,-20.45,;49.45,-21.22,;49.45,-22.76,;50.78,-20.45,;41.45,-21.22,;40.12,-20.45,;41.45,-22.76,;40.12,-23.53,;39.36,-24.86,;38.58,-23.53,;37.26,-22.76,;37.26,-21.22,;35.92,-23.53,;34.59,-22.77,;39.36,-26.4,;38.03,-27.17,;40.69,-27.17,;40.69,-28.71,;39.36,-29.48,;39.36,-31.01,;38.03,-31.78,;38.03,-33.32,;36.69,-34.09,;35.36,-33.32,;36.69,-35.63,;42.02,-29.48,;43.35,-28.71,;42.02,-31.01,;43.35,-31.78,;44.69,-31.01,;46.02,-31.78,;46.01,-33.33,;47.35,-34.1,;48.7,-33.32,;50.03,-34.09,;48.69,-31.77,;47.35,-31.01,;43.35,-33.32,;42.02,-34.09,;44.69,-34.09,)| Show InChI InChI=1S/C78H120N28O20/c1-8-37(4)58(104-69(119)50(31-40-19-23-43(109)24-20-40)101-67(117)51(32-41-34-89-35-94-41)102-62(112)44(95-38(5)107)13-9-25-90-75(81)82)72(122)103-52(33-53(79)110)68(118)100-49(29-36(2)3)66(116)96-46(15-11-27-92-77(85)86)64(114)105-59-55(57(59)74(124)126-7)71(121)98-47(16-12-28-93-78(87)88)65(115)106-60-54(56(60)73(123)125-6)70(120)97-45(14-10-26-91-76(83)84)63(113)99-48(61(80)111)30-39-17-21-42(108)22-18-39/h17-24,34-37,44-52,54-60,108-109H,8-16,25-33H2,1-7H3,(H2,79,110)(H2,80,111)(H,89,94)(H,95,107)(H,96,116)(H,97,120)(H,98,121)(H,99,113)(H,100,118)(H,101,117)(H,102,112)(H,103,122)(H,104,119)(H,105,114)(H,106,115)(H4,81,82,90)(H4,83,84,91)(H4,85,86,92)(H4,87,88,93)/t37-,44-,45-,46-,47-,48-,49-,50-,51-,52-,54+,55+,56+,57+,58-,59+,60+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Binding affinity to Y1 receptor (unknown origin)				J Med Chem 56: 8422-31 (2013) Article DOI: 10.1021/jm4008505 BindingDB Entry DOI: 10.7270/Q25X2BC9
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5) (Homo sapiens (Human))	BDBM50441970 (CHEMBL2440182) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]1[C@@H]([C@H]1C(=O)OC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]1[C@@H]([C@H]1C(=O)OC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:114.117,82.84,72.73,73.81,30.39,8.17,2.2,45.46,61.62,95.99,wD:103.106,74.77,20.28,4.4,53.54,93.95,94.103,(26.03,-19.12,;26.03,-17.58,;27.36,-16.82,;28.7,-17.58,;27.36,-15.28,;26.03,-14.51,;24.7,-15.28,;24.7,-16.82,;23.37,-14.51,;23.37,-12.97,;24.7,-12.2,;26.04,-12.96,;27.37,-12.2,;27.37,-10.66,;28.7,-9.89,;26.04,-9.88,;24.7,-10.66,;22.03,-15.28,;20.7,-14.51,;20.7,-12.97,;19.37,-15.28,;19.37,-16.82,;20.7,-17.58,;22.12,-16.96,;23.15,-18.1,;22.38,-19.44,;20.86,-19.12,;18.03,-14.51,;16.71,-15.28,;16.71,-16.82,;15.37,-14.51,;15.37,-12.97,;16.71,-12.2,;16.71,-10.66,;18.03,-9.89,;18.03,-8.35,;16.71,-7.58,;19.37,-7.58,;14.04,-15.28,;12.71,-14.51,;11.37,-15.28,;12.71,-12.97,;28.7,-14.51,;28.7,-12.97,;30.03,-15.28,;31.36,-14.51,;31.36,-12.97,;32.7,-12.2,;34.02,-12.97,;32.7,-10.66,;32.7,-15.28,;32.7,-16.82,;34.02,-14.51,;35.36,-15.28,;35.36,-16.82,;36.69,-17.58,;36.69,-19.12,;38.03,-16.82,;36.69,-14.51,;36.69,-12.97,;38.03,-15.28,;39.36,-14.51,;39.36,-12.97,;40.69,-12.2,;40.69,-10.66,;42.02,-9.89,;42.02,-8.35,;40.69,-7.58,;43.35,-7.58,;40.69,-15.28,;40.69,-16.82,;42.02,-14.51,;43.35,-15.28,;44.12,-16.61,;44.89,-15.28,;46.23,-14.51,;46.23,-12.97,;47.55,-15.28,;48.88,-14.51,;44.12,-18.15,;45.45,-18.92,;42.79,-18.92,;42.79,-20.45,;44.12,-21.22,;45.45,-20.45,;46.79,-21.22,;48.11,-20.45,;49.45,-21.22,;49.45,-22.76,;50.78,-20.45,;41.45,-21.22,;40.12,-20.45,;41.45,-22.76,;40.12,-23.53,;39.36,-24.86,;38.58,-23.53,;37.26,-22.76,;37.26,-21.22,;35.92,-23.53,;34.59,-22.77,;39.36,-26.4,;38.03,-27.17,;40.69,-27.17,;40.69,-28.71,;39.36,-29.48,;39.36,-31.01,;38.03,-31.78,;38.03,-33.32,;36.69,-34.09,;35.36,-33.32,;36.69,-35.63,;42.02,-29.48,;43.35,-28.71,;42.02,-31.01,;43.35,-31.78,;44.69,-31.01,;46.02,-31.78,;46.01,-33.33,;47.35,-34.1,;48.7,-33.32,;50.03,-34.09,;48.69,-31.77,;47.35,-31.01,;43.35,-33.32,;42.02,-34.09,;44.69,-34.09,)| Show InChI InChI=1S/C78H120N28O20/c1-8-37(4)58(104-69(119)50(31-40-19-23-43(109)24-20-40)101-67(117)51(32-41-34-89-35-94-41)102-62(112)44(95-38(5)107)13-9-25-90-75(81)82)72(122)103-52(33-53(79)110)68(118)100-49(29-36(2)3)66(116)96-46(15-11-27-92-77(85)86)64(114)105-59-55(57(59)74(124)126-7)71(121)98-47(16-12-28-93-78(87)88)65(115)106-60-54(56(60)73(123)125-6)70(120)97-45(14-10-26-91-76(83)84)63(113)99-48(61(80)111)30-39-17-21-42(108)22-18-39/h17-24,34-37,44-52,54-60,108-109H,8-16,25-33H2,1-7H3,(H2,79,110)(H2,80,111)(H,89,94)(H,95,107)(H,96,116)(H,97,120)(H,98,121)(H,99,113)(H,100,118)(H,101,117)(H,102,112)(H,103,122)(H,104,119)(H,105,114)(H,106,115)(H4,81,82,90)(H4,83,84,91)(H4,85,86,92)(H4,87,88,93)/t37-,44-,45-,46-,47-,48-,49-,50-,51-,52-,54+,55+,56+,57+,58-,59+,60+/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	617	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Binding affinity to Y5 receptor (unknown origin)				J Med Chem 56: 8422-31 (2013) Article DOI: 10.1021/jm4008505 BindingDB Entry DOI: 10.7270/Q25X2BC9
					More data for this Ligand-Target Pair