BDBM50105886 5-(3-Guanidino-propyl)-8-(1H-indol-3-ylmethyl)-2-naphthalen-2-ylmethyl-3,6,9,15,18-pentaoxo-1,4,7,10,14pentaaza-cyclooctadecane-11-carboxylic acid::CHEMBL334309

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

InChI Key: InChIKey=SKCKLAWSWLNCJU-QNRWOPMTSA-N

Data: 3 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 3 hits for monomerid = 50105886   

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))	BDBM50105886 (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)NCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C38H46N10O6/c39-34(51)28-15-17-42-32(49)13-14-33(50)45-30(19-22-11-12-23-6-1-2-7-24(23)18-22)36(53)47-29(10-5-16-43-38(40)41)35(52)48-31(37(54)46-28)20-25-21-44-27-9-4-3-8-26(25)27/h1-4,6-9,11-12,18,21,28-31,44H,5,10,13-17,19-20H2,(H2,39,51)(H,42,49)(H,45,50)(H,46,54)(H,47,53)(H,48,52)(H4,40,41,43)/t28-,29+,30+,31-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	58	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 5 (MC5R) (Homo sapiens (Human))	BDBM50105886 (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)NCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C38H46N10O6/c39-34(51)28-15-17-42-32(49)13-14-33(50)45-30(19-22-11-12-23-6-1-2-7-24(23)18-22)36(53)47-29(10-5-16-43-38(40)41)35(52)48-31(37(54)46-28)20-25-21-44-27-9-4-3-8-26(25)27/h1-4,6-9,11-12,18,21,28-31,44H,5,10,13-17,19-20H2,(H2,39,51)(H,42,49)(H,45,50)(H,46,54)(H,47,53)(H,48,52)(H4,40,41,43)/t28-,29+,30+,31-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70E+3	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 3 (Homo sapiens (Human))	BDBM50105886 (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)NCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C38H46N10O6/c39-34(51)28-15-17-42-32(49)13-14-33(50)45-30(19-22-11-12-23-6-1-2-7-24(23)18-22)36(53)47-29(10-5-16-43-38(40)41)35(52)48-31(37(54)46-28)20-25-21-44-27-9-4-3-8-26(25)27/h1-4,6-9,11-12,18,21,28-31,44H,5,10,13-17,19-20H2,(H2,39,51)(H,42,49)(H,45,50)(H,46,54)(H,47,53)(H,48,52)(H4,40,41,43)/t28-,29+,30+,31-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.00E+3	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