BDBM50528179 CHEMBL4476074

SMILES: CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

InChI Key: InChIKey=FGJOIWGKNAXKRB-OVNZZODJSA-N

Data: 2 KI  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 3 hits for monomerid = 50528179   

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))	BDBM50528179 (CHEMBL4476074) Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C107H164N34O24/c1-8-56(5)84(108)100(162)131-71-38-40-82(146)124-53-78(96(158)136-76(51-61-26-34-65(144)35-27-61)94(156)128-67(16-10-42-120-104(112)113)89(151)126-58(7)88(150)127-68(17-11-43-121-105(114)115)90(152)133-73(86(110)148)49-59-22-30-63(142)31-23-59)138-98(160)80-20-14-46-140(80)102(164)72(132-101(163)85(109)57(6)9-2)39-41-83(147)125-54-79(139-99(161)81-21-15-47-141(81)103(71)165)97(159)137-77(52-62-28-36-66(145)37-29-62)95(157)130-70(19-13-45-123-107(118)119)92(154)135-75(48-55(3)4)93(155)129-69(18-12-44-122-106(116)117)91(153)134-74(87(111)149)50-60-24-32-64(143)33-25-60/h22-37,55-58,67-81,84-85,142-145H,8-21,38-54,108-109H2,1-7H3,(H2,110,148)(H2,111,149)(H,124,146)(H,125,147)(H,126,151)(H,127,150)(H,128,156)(H,129,155)(H,130,157)(H,131,162)(H,132,163)(H,133,152)(H,134,153)(H,135,154)(H,136,158)(H,137,159)(H,138,160)(H,139,161)(H4,112,113,120)(H4,114,115,121)(H4,116,117,122)(H4,118,119,123)/t56-,57-,58-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,84-,85-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.275	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Displacement of (sCy5)-[Lys2 Arg4]-BVD15 from GFP-tagged Y1R in human HEK293T cells assessed as inhibitory constant incubated for 5 mins followed by ...				J Med Chem 63: 5274-5286 (2020) Article DOI: 10.1021/acs.jmedchem.0c00027
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 4 (Homo sapiens (Human))	BDBM50528179 (CHEMBL4476074) Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C107H164N34O24/c1-8-56(5)84(108)100(162)131-71-38-40-82(146)124-53-78(96(158)136-76(51-61-26-34-65(144)35-27-61)94(156)128-67(16-10-42-120-104(112)113)89(151)126-58(7)88(150)127-68(17-11-43-121-105(114)115)90(152)133-73(86(110)148)49-59-22-30-63(142)31-23-59)138-98(160)80-20-14-46-140(80)102(164)72(132-101(163)85(109)57(6)9-2)39-41-83(147)125-54-79(139-99(161)81-21-15-47-141(81)103(71)165)97(159)137-77(52-62-28-36-66(145)37-29-62)95(157)130-70(19-13-45-123-107(118)119)92(154)135-75(48-55(3)4)93(155)129-69(18-12-44-122-106(116)117)91(153)134-74(87(111)149)50-60-24-32-64(143)33-25-60/h22-37,55-58,67-81,84-85,142-145H,8-21,38-54,108-109H2,1-7H3,(H2,110,148)(H2,111,149)(H,124,146)(H,125,147)(H,126,151)(H,127,150)(H,128,156)(H,129,155)(H,130,157)(H,131,162)(H,132,163)(H,133,152)(H,134,153)(H,135,154)(H,136,158)(H,137,159)(H,138,160)(H,139,161)(H4,112,113,120)(H4,114,115,121)(H4,116,117,122)(H4,118,119,123)/t56-,57-,58-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,84-,85-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Displacement of (sCy5)-[Lys2 Arg4]-BVD15 from GFP-tagged Y4R in human HEK293T cells assessed as inhibitory constant incubated for 5 mins followed by ...				J Med Chem 63: 5274-5286 (2020) Article DOI: 10.1021/acs.jmedchem.0c00027
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 4 (Homo sapiens (Human))	BDBM50528179 (CHEMBL4476074) Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C107H164N34O24/c1-8-56(5)84(108)100(162)131-71-38-40-82(146)124-53-78(96(158)136-76(51-61-26-34-65(144)35-27-61)94(156)128-67(16-10-42-120-104(112)113)89(151)126-58(7)88(150)127-68(17-11-43-121-105(114)115)90(152)133-73(86(110)148)49-59-22-30-63(142)31-23-59)138-98(160)80-20-14-46-140(80)102(164)72(132-101(163)85(109)57(6)9-2)39-41-83(147)125-54-79(139-99(161)81-21-15-47-141(81)103(71)165)97(159)137-77(52-62-28-36-66(145)37-29-62)95(157)130-70(19-13-45-123-107(118)119)92(154)135-75(48-55(3)4)93(155)129-69(18-12-44-122-106(116)117)91(153)134-74(87(111)149)50-60-24-32-64(143)33-25-60/h22-37,55-58,67-81,84-85,142-145H,8-21,38-54,108-109H2,1-7H3,(H2,110,148)(H2,111,149)(H,124,146)(H,125,147)(H,126,151)(H,127,150)(H,128,156)(H,129,155)(H,130,157)(H,131,162)(H,132,163)(H,133,152)(H,134,153)(H,135,154)(H,136,158)(H,137,159)(H,138,160)(H,139,161)(H4,112,113,120)(H4,114,115,121)(H4,116,117,122)(H4,118,119,123)/t56-,57-,58-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,84-,85-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Agonist activity at Y4R in human HEK293T cells assessed as increase in beta-arrestin recruitment incubated for 30 mins by Hoechst 33342 dye based flu...				J Med Chem 63: 5274-5286 (2020) Article DOI: 10.1021/acs.jmedchem.0c00027
					More data for this Ligand-Target Pair