BDBM50105889 5-(3-Guanidino-propyl)-8-(1H-indol-3-ylmethyl)-2-naphthalen-2-ylmethyl-3,6,9,16,19-pentaoxo-1,4,7,10,15pentaaza-cyclononadecane-11-carboxylic acid::CHEMBL333178

SMILES: NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O

InChI Key: InChIKey=FWQGDGPDBUUACD-OKDNLZPVSA-N

Data: 3 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 4 hits for monomerid = 50105889   

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 4 (Homo sapiens (Human))	BDBM50105889 (5-(3-Guanidino-propyl)-8-(1H-indol-3-ylmethyl)-2-n...) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C39H48N10O6/c40-35(52)29-11-5-17-43-33(50)15-16-34(51)46-31(20-23-13-14-24-7-1-2-8-25(24)19-23)37(54)48-30(12-6-18-44-39(41)42)36(53)49-32(38(55)47-29)21-26-22-45-28-10-4-3-9-27(26)28/h1-4,7-10,13-14,19,22,29-32,45H,5-6,11-12,15-18,20-21H2,(H2,40,52)(H,43,50)(H,46,51)(H,47,55)(H,48,54)(H,49,53)(H4,41,42,44)/t29-,30+,31+,32-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding)				J Med Chem 44: 3665-72 (2001) BindingDB Entry DOI: 10.7270/Q2RF5T9S
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50105889 (5-(3-Guanidino-propyl)-8-(1H-indol-3-ylmethyl)-2-n...) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C39H48N10O6/c40-35(52)29-11-5-17-43-33(50)15-16-34(51)46-31(20-23-13-14-24-7-1-2-8-25(24)19-23)37(54)48-30(12-6-18-44-39(41)42)36(53)49-32(38(55)47-29)21-26-22-45-28-10-4-3-9-27(26)28/h1-4,7-10,13-14,19,22,29-32,45H,5-6,11-12,15-18,20-21H2,(H2,40,52)(H,43,50)(H,46,51)(H,47,55)(H,48,54)(H,49,53)(H4,41,42,44)/t29-,30+,31+,32-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against human melanocortin receptor 3 (hMC3R) (concentration of the peptide at 50% specific binding)				J Med Chem 44: 3665-72 (2001) BindingDB Entry DOI: 10.7270/Q2RF5T9S
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (MC5R) (Homo sapiens (Human))	BDBM50105889 (5-(3-Guanidino-propyl)-8-(1H-indol-3-ylmethyl)-2-n...) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C39H48N10O6/c40-35(52)29-11-5-17-43-33(50)15-16-34(51)46-31(20-23-13-14-24-7-1-2-8-25(24)19-23)37(54)48-30(12-6-18-44-39(41)42)36(53)49-32(38(55)47-29)21-26-22-45-28-10-4-3-9-27(26)28/h1-4,7-10,13-14,19,22,29-32,45H,5-6,11-12,15-18,20-21H2,(H2,40,52)(H,43,50)(H,46,51)(H,47,55)(H,48,54)(H,49,53)(H4,41,42,44)/t29-,30+,31+,32-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding)				J Med Chem 44: 3665-72 (2001) BindingDB Entry DOI: 10.7270/Q2RF5T9S
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (MC5R) (Homo sapiens (Human))	BDBM50105889 (5-(3-Guanidino-propyl)-8-(1H-indol-3-ylmethyl)-2-n...) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C39H48N10O6/c40-35(52)29-11-5-17-43-33(50)15-16-34(51)46-31(20-23-13-14-24-7-1-2-8-25(24)19-23)37(54)48-30(12-6-18-44-39(41)42)36(53)49-32(38(55)47-29)21-26-22-45-28-10-4-3-9-27(26)28/h1-4,7-10,13-14,19,22,29-32,45H,5-6,11-12,15-18,20-21H2,(H2,40,52)(H,43,50)(H,46,51)(H,47,55)(H,48,54)(H,49,53)(H4,41,42,44)/t29-,30+,31+,32-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Increase in intracellular cAMP in CHO cells expressing human melanocortin receptor 5.				J Med Chem 44: 3665-72 (2001) BindingDB Entry DOI: 10.7270/Q2RF5T9S
					More data for this Ligand-Target Pair