BDBM50049741 CHEMBL429071::NPY-analogs

SMILES: CCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

InChI Key: InChIKey=PMIWIKDIKFWORQ-DBQVOORUSA-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 = 50049741   

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))	BDBM50049741 (CHEMBL429071 | NPY-analogs) Show SMILES CCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C108H174N32O24S2/c1-13-21-71(91(151)127-73(23-17-43-121-105(113)114)95(155)131-77(87(111)147)51-63-31-39-67(145)40-32-63)125-93(153)75(25-19-45-123-107(117)118)129-103(163)85(59(11)141)139-99(159)81(135-97(157)79(47-55(5)6)133-101(161)83(57(9)15-3)137-89(149)69(109)49-61-27-35-65(143)36-28-61)53-165-166-54-82(136-98(158)80(48-56(7)8)134-102(162)84(58(10)16-4)138-90(150)70(110)50-62-29-37-66(144)38-30-62)100(160)140-86(60(12)142)104(164)130-76(26-20-46-124-108(119)120)94(154)126-72(22-14-2)92(152)128-74(24-18-44-122-106(115)116)96(156)132-78(88(112)148)52-64-33-41-68(146)42-34-64/h27-42,55-60,69-86,141-146H,13-26,43-54,109-110H2,1-12H3,(H2,111,147)(H2,112,148)(H,125,153)(H,126,154)(H,127,151)(H,128,152)(H,129,163)(H,130,164)(H,131,155)(H,132,156)(H,133,161)(H,134,162)(H,135,157)(H,136,158)(H,137,149)(H,138,150)(H,139,159)(H,140,160)(H4,113,114,121)(H4,115,116,122)(H4,117,118,123)(H4,119,120,124)/t57-,58-,59+,60+,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cincinnati Medical Center Curated by ChEMBL					Assay Description Compound was tested for the displacement of [125I]-PYY (SK-N-MC) from Neuropeptide Y receptor type 1 in the membranes prepared from cells				J Med Chem 39: 811-3 (1996) Article DOI: 10.1021/jm950811r BindingDB Entry DOI: 10.7270/Q2FB5218
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50049741 (CHEMBL429071 | NPY-analogs) Show SMILES CCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C108H174N32O24S2/c1-13-21-71(91(151)127-73(23-17-43-121-105(113)114)95(155)131-77(87(111)147)51-63-31-39-67(145)40-32-63)125-93(153)75(25-19-45-123-107(117)118)129-103(163)85(59(11)141)139-99(159)81(135-97(157)79(47-55(5)6)133-101(161)83(57(9)15-3)137-89(149)69(109)49-61-27-35-65(143)36-28-61)53-165-166-54-82(136-98(158)80(48-56(7)8)134-102(162)84(58(10)16-4)138-90(150)70(110)50-62-29-37-66(144)38-30-62)100(160)140-86(60(12)142)104(164)130-76(26-20-46-124-108(119)120)94(154)126-72(22-14-2)92(152)128-74(24-18-44-122-106(115)116)96(156)132-78(88(112)148)52-64-33-41-68(146)42-34-64/h27-42,55-60,69-86,141-146H,13-26,43-54,109-110H2,1-12H3,(H2,111,147)(H2,112,148)(H,125,153)(H,126,154)(H,127,151)(H,128,152)(H,129,163)(H,130,164)(H,131,155)(H,132,156)(H,133,161)(H,134,162)(H,135,157)(H,136,158)(H,137,149)(H,138,150)(H,139,159)(H,140,160)(H4,113,114,121)(H4,115,116,122)(H4,117,118,123)(H4,119,120,124)/t57-,58-,59+,60+,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cincinnati Medical Center Curated by ChEMBL					Assay Description Compound was tested for the displacement of [125I]-PYY(3-36) (SK-N-BE2) from Neuropeptide Y receptor type 2 in the membranes prepared from cells				J Med Chem 39: 811-3 (1996) Article DOI: 10.1021/jm950811r BindingDB Entry DOI: 10.7270/Q2FB5218
					More data for this Ligand-Target Pair