BDBM50115377 2-{2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-3,3-diphenyl-propionylamino}-5-guanidino-pentanoic acid [1-carbamoyl-2-(1H-indol-3-yl)-ethyl]-amide::CHEMBL106959

SMILES: CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

InChI Key: InChIKey=JDVCDJBHKUIJSL-UJWBSGRQSA-N

Data: 4 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 = 50115377   

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 3 (Mus musculus)	BDBM50115377 (2-{2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl...) Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C40H47N11O5/c1-24(52)48-33(20-28-22-44-23-47-28)38(55)51-35(34(25-11-4-2-5-12-25)26-13-6-3-7-14-26)39(56)49-31(17-10-18-45-40(42)43)37(54)50-32(36(41)53)19-27-21-46-30-16-9-8-15-29(27)30/h2-9,11-16,21-23,31-35,46H,10,17-20H2,1H3,(H2,41,53)(H,44,47)(H,48,52)(H,49,56)(H,50,54)(H,51,55)(H4,42,43,45)/t31-,32-,33-,35+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Agonist activity to the mouse Melanocortin-3 receptor (mMC3R)				J Med Chem 45: 3073-81 (2002) BindingDB Entry DOI: 10.7270/Q2KK9CHF
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (MC5R) (Mus musculus (Mouse))	BDBM50115377 (2-{2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl...) Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C40H47N11O5/c1-24(52)48-33(20-28-22-44-23-47-28)38(55)51-35(34(25-11-4-2-5-12-25)26-13-6-3-7-14-26)39(56)49-31(17-10-18-45-40(42)43)37(54)50-32(36(41)53)19-27-21-46-30-16-9-8-15-29(27)30/h2-9,11-16,21-23,31-35,46H,10,17-20H2,1H3,(H2,41,53)(H,44,47)(H,48,52)(H,49,56)(H,50,54)(H,51,55)(H4,42,43,45)/t31-,32-,33-,35+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Agonist activity towards mouse Melanocortin-5 receptor (mMC5R)				J Med Chem 45: 3073-81 (2002) BindingDB Entry DOI: 10.7270/Q2KK9CHF
					More data for this Ligand-Target Pair
Melanocortin receptor 1 (Mus musculus)	BDBM50115377 (2-{2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl...) Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C40H47N11O5/c1-24(52)48-33(20-28-22-44-23-47-28)38(55)51-35(34(25-11-4-2-5-12-25)26-13-6-3-7-14-26)39(56)49-31(17-10-18-45-40(42)43)37(54)50-32(36(41)53)19-27-21-46-30-16-9-8-15-29(27)30/h2-9,11-16,21-23,31-35,46H,10,17-20H2,1H3,(H2,41,53)(H,44,47)(H,48,52)(H,49,56)(H,50,54)(H,51,55)(H4,42,43,45)/t31-,32-,33-,35+/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Agonist activity to the mouse Melanocortin-1 receptor (mMC1R)				J Med Chem 45: 3073-81 (2002) BindingDB Entry DOI: 10.7270/Q2KK9CHF
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50115377 (2-{2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl...) Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C40H47N11O5/c1-24(52)48-33(20-28-22-44-23-47-28)38(55)51-35(34(25-11-4-2-5-12-25)26-13-6-3-7-14-26)39(56)49-31(17-10-18-45-40(42)43)37(54)50-32(36(41)53)19-27-21-46-30-16-9-8-15-29(27)30/h2-9,11-16,21-23,31-35,46H,10,17-20H2,1H3,(H2,41,53)(H,44,47)(H,48,52)(H,49,56)(H,50,54)(H,51,55)(H4,42,43,45)/t31-,32-,33-,35+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Agonist activity to the mouse Melanocortin-4 receptor (mMC4R)				J Med Chem 45: 3073-81 (2002) BindingDB Entry DOI: 10.7270/Q2KK9CHF
					More data for this Ligand-Target Pair