BDBM50141027 1N-(1-carbamoyl-2-hydroxypropyl)-15-[3-amino(imino)methylaminopropyl]-6-(1-amino-2-phenylethylcarboxamido)-12-(4-chlorobenzyl)-9-(1H-5-imidazolylmethyl)-18-(1H-3-indolylmethyl)-7,10,13,16,19-pentaoxo-3,4-dithia-8,11,14,17,20-pentaazacycloicosane-::CHEMBL406842

SMILES: C[C@H](O)[C@@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O

InChI Key: InChIKey=WZAMLQNJEPHSTH-JMCLYXOWSA-N

Data: 5 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 5 hits for monomerid = 50141027   

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 (Mus musculus)	BDBM50141027 (1N-(1-carbamoyl-2-hydroxypropyl)-15-[3-amino(imino...) Show SMILES C[C@H](O)[C@@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O Show InChI InChI=1S/C51H64ClN15O9S2/c1-27(68)42(43(54)69)67-50(76)41-25-78-77-24-40(65-44(70)34(53)18-28-8-3-2-4-9-28)49(75)64-39(21-32-23-57-26-60-32)48(74)62-37(19-29-13-15-31(52)16-14-29)46(72)61-36(12-7-17-58-51(55)56)45(71)63-38(47(73)66-41)20-30-22-59-35-11-6-5-10-33(30)35/h2-6,8-11,13-16,22-23,26-27,34,36-42,59,68H,7,12,17-21,24-25,53H2,1H3,(H2,54,69)(H,57,60)(H,61,72)(H,62,74)(H,63,71)(H,64,75)(H,65,70)(H,66,73)(H,67,76)(H4,55,56,58)/t27-,34+,36-,37-,38+,39-,40-,41+,42+/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	0.670	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Effective concentration for maximum agonist response towards mouse melanocortin 4 receptor				J Med Chem 47: 1514-26 (2004) Article DOI: 10.1021/jm030452x BindingDB Entry DOI: 10.7270/Q2XP75PK
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Rattus norvegicus)	BDBM50141027 (1N-(1-carbamoyl-2-hydroxypropyl)-15-[3-amino(imino...) Show SMILES C[C@H](O)[C@@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O Show InChI InChI=1S/C51H64ClN15O9S2/c1-27(68)42(43(54)69)67-50(76)41-25-78-77-24-40(65-44(70)34(53)18-28-8-3-2-4-9-28)49(75)64-39(21-32-23-57-26-60-32)48(74)62-37(19-29-13-15-31(52)16-14-29)46(72)61-36(12-7-17-58-51(55)56)45(71)63-38(47(73)66-41)20-30-22-59-35-11-6-5-10-33(30)35/h2-6,8-11,13-16,22-23,26-27,34,36-42,59,68H,7,12,17-21,24-25,53H2,1H3,(H2,54,69)(H,57,60)(H,61,72)(H,62,74)(H,63,71)(H,64,75)(H,65,70)(H,66,73)(H,67,76)(H4,55,56,58)/t27-,34+,36-,37-,38+,39-,40-,41+,42+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.30	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Maximal agonist response at rat melanocortin 3 receptor (MC3R)				J Med Chem 47: 1514-26 (2004) Article DOI: 10.1021/jm030452x BindingDB Entry DOI: 10.7270/Q2XP75PK
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (MC5R) (Mus musculus (Mouse))	BDBM50141027 (1N-(1-carbamoyl-2-hydroxypropyl)-15-[3-amino(imino...) Show SMILES C[C@H](O)[C@@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O Show InChI InChI=1S/C51H64ClN15O9S2/c1-27(68)42(43(54)69)67-50(76)41-25-78-77-24-40(65-44(70)34(53)18-28-8-3-2-4-9-28)49(75)64-39(21-32-23-57-26-60-32)48(74)62-37(19-29-13-15-31(52)16-14-29)46(72)61-36(12-7-17-58-51(55)56)45(71)63-38(47(73)66-41)20-30-22-59-35-11-6-5-10-33(30)35/h2-6,8-11,13-16,22-23,26-27,34,36-42,59,68H,7,12,17-21,24-25,53H2,1H3,(H2,54,69)(H,57,60)(H,61,72)(H,62,74)(H,63,71)(H,64,75)(H,65,70)(H,66,73)(H,67,76)(H4,55,56,58)/t27-,34+,36-,37-,38+,39-,40-,41+,42+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.110	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Maximum agonist response for mouse melanocortin 5 receptor (MC5R)				J Med Chem 47: 1514-26 (2004) Article DOI: 10.1021/jm030452x BindingDB Entry DOI: 10.7270/Q2XP75PK
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50141027 (1N-(1-carbamoyl-2-hydroxypropyl)-15-[3-amino(imino...) Show SMILES C[C@H](O)[C@@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O Show InChI InChI=1S/C51H64ClN15O9S2/c1-27(68)42(43(54)69)67-50(76)41-25-78-77-24-40(65-44(70)34(53)18-28-8-3-2-4-9-28)49(75)64-39(21-32-23-57-26-60-32)48(74)62-37(19-29-13-15-31(52)16-14-29)46(72)61-36(12-7-17-58-51(55)56)45(71)63-38(47(73)66-41)20-30-22-59-35-11-6-5-10-33(30)35/h2-6,8-11,13-16,22-23,26-27,34,36-42,59,68H,7,12,17-21,24-25,53H2,1H3,(H2,54,69)(H,57,60)(H,61,72)(H,62,74)(H,63,71)(H,64,75)(H,65,70)(H,66,73)(H,67,76)(H4,55,56,58)/t27-,34+,36-,37-,38+,39-,40-,41+,42+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Effective concentration required for maximum agonist response at melanocortin 1 receptor from frog skin.				J Med Chem 47: 1514-26 (2004) Article DOI: 10.1021/jm030452x BindingDB Entry DOI: 10.7270/Q2XP75PK
					More data for this Ligand-Target Pair
Melanocortin receptor 1 (Mus musculus)	BDBM50141027 (1N-(1-carbamoyl-2-hydroxypropyl)-15-[3-amino(imino...) Show SMILES C[C@H](O)[C@@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O Show InChI InChI=1S/C51H64ClN15O9S2/c1-27(68)42(43(54)69)67-50(76)41-25-78-77-24-40(65-44(70)34(53)18-28-8-3-2-4-9-28)49(75)64-39(21-32-23-57-26-60-32)48(74)62-37(19-29-13-15-31(52)16-14-29)46(72)61-36(12-7-17-58-51(55)56)45(71)63-38(47(73)66-41)20-30-22-59-35-11-6-5-10-33(30)35/h2-6,8-11,13-16,22-23,26-27,34,36-42,59,68H,7,12,17-21,24-25,53H2,1H3,(H2,54,69)(H,57,60)(H,61,72)(H,62,74)(H,63,71)(H,64,75)(H,65,70)(H,66,73)(H,67,76)(H4,55,56,58)/t27-,34+,36-,37-,38+,39-,40-,41+,42+/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	0.370	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Maximal agonist response of mouse melanocortin 1 receptor (MC1R)				J Med Chem 47: 1514-26 (2004) Article DOI: 10.1021/jm030452x BindingDB Entry DOI: 10.7270/Q2XP75PK
					More data for this Ligand-Target Pair