BDBM50410399 CHEMBL2096712

SMILES: CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O

InChI Key: InChIKey=LXEXKGVAQWUHCI-MFVUMRCOSA-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 = 50410399   

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 1 (Mus musculus)	BDBM50410399 (CHEMBL2096712) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-35(58-29(2)66)43(68)64-41-25-42(67)65-45(70)36(18-10-11-20-51)59-47(72)39(23-31-26-56-34-17-9-8-15-33(31)34)62-44(69)37(19-12-21-55-50(52)53)60-46(71)38(22-30-13-6-5-7-14-30)61-48(73)40(63-49(41)74)24-32-27-54-28-57-32/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25,51H2,1-2H3,(H,54,57)(H,58,66)(H,59,72)(H,60,71)(H,61,73)(H,62,69)(H,63,74)(H,64,68)(H4,52,53,55)(H,65,67,70)/t35-,36-,37-,38+,39-,40-,41-/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0220	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Effective concentration for mouse Melanocortin-1 receptor				J Med Chem 48: 3060-75 (2005) Article DOI: 10.1021/jm049010r BindingDB Entry DOI: 10.7270/Q2PR7WS4
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Mus musculus)	BDBM50410399 (CHEMBL2096712) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-35(58-29(2)66)43(68)64-41-25-42(67)65-45(70)36(18-10-11-20-51)59-47(72)39(23-31-26-56-34-17-9-8-15-33(31)34)62-44(69)37(19-12-21-55-50(52)53)60-46(71)38(22-30-13-6-5-7-14-30)61-48(73)40(63-49(41)74)24-32-27-54-28-57-32/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25,51H2,1-2H3,(H,54,57)(H,58,66)(H,59,72)(H,60,71)(H,61,73)(H,62,69)(H,63,74)(H,64,68)(H4,52,53,55)(H,65,67,70)/t35-,36-,37-,38+,39-,40-,41-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.130	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Effective concentration for mouse Melanocortin-3 receptor				J Med Chem 48: 3060-75 (2005) Article DOI: 10.1021/jm049010r BindingDB Entry DOI: 10.7270/Q2PR7WS4
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50410399 (CHEMBL2096712) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-35(58-29(2)66)43(68)64-41-25-42(67)65-45(70)36(18-10-11-20-51)59-47(72)39(23-31-26-56-34-17-9-8-15-33(31)34)62-44(69)37(19-12-21-55-50(52)53)60-46(71)38(22-30-13-6-5-7-14-30)61-48(73)40(63-49(41)74)24-32-27-54-28-57-32/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25,51H2,1-2H3,(H,54,57)(H,58,66)(H,59,72)(H,60,71)(H,61,73)(H,62,69)(H,63,74)(H,64,68)(H4,52,53,55)(H,65,67,70)/t35-,36-,37-,38+,39-,40-,41-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0530	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Effective concentration for mouse Melanocortin-4 receptor				J Med Chem 48: 3060-75 (2005) Article DOI: 10.1021/jm049010r BindingDB Entry DOI: 10.7270/Q2PR7WS4
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (MC5R) (Mus musculus (Mouse))	BDBM50410399 (CHEMBL2096712) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O Show InChI InChI=1S/C50H69N15O9/c1-3-4-16-35(58-29(2)66)43(68)64-41-25-42(67)65-45(70)36(18-10-11-20-51)59-47(72)39(23-31-26-56-34-17-9-8-15-33(31)34)62-44(69)37(19-12-21-55-50(52)53)60-46(71)38(22-30-13-6-5-7-14-30)61-48(73)40(63-49(41)74)24-32-27-54-28-57-32/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25,51H2,1-2H3,(H,54,57)(H,58,66)(H,59,72)(H,60,71)(H,61,73)(H,62,69)(H,63,74)(H,64,68)(H4,52,53,55)(H,65,67,70)/t35-,36-,37-,38+,39-,40-,41-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0680	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Effective concentration for mouse Melanocortin-5 receptor				J Med Chem 48: 3060-75 (2005) Article DOI: 10.1021/jm049010r BindingDB Entry DOI: 10.7270/Q2PR7WS4
					More data for this Ligand-Target Pair