BDBM50124766 (S)-2-[(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-yl)-propionylamino]-3-(4-chloro-phenyl)-propionylamino]-5-guanidino-pentanoic acid [(S)-1-(carbamoylmethyl-carbamoyl)-2-(1H-indol-3-yl)-ethyl]-amide::CHEMBL348511

SMILES: CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O

InChI Key: InChIKey=PGJYWMVUWDKZMU-ORYMTKCHSA-N

Data: 2 IC50  2 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 = 50124766   

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
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50124766 ((S)-2-[(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...) Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C38H49ClN12O6/c1-2-6-33(53)48-31(17-25-19-43-21-47-25)37(57)50-29(15-22-10-12-24(39)13-11-22)36(56)49-28(9-5-14-44-38(41)42)35(55)51-30(34(54)46-20-32(40)52)16-23-18-45-27-8-4-3-7-26(23)27/h3-4,7-8,10-13,18-19,21,28-31,45H,2,5-6,9,14-17,20H2,1H3,(H2,40,52)(H,43,47)(H,46,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)(H4,41,42,44)/t28-,29-,30-,31-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibitory concentration of compound was determined against hMC1R through displacement of NDP-MSH radioligand using HEK293 cells				Bioorg Med Chem Lett 13: 649-52 (2003) BindingDB Entry DOI: 10.7270/Q2V69J0G
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50124766 ((S)-2-[(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...) Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C38H49ClN12O6/c1-2-6-33(53)48-31(17-25-19-43-21-47-25)37(57)50-29(15-22-10-12-24(39)13-11-22)36(56)49-28(9-5-14-44-38(41)42)35(55)51-30(34(54)46-20-32(40)52)16-23-18-45-27-8-4-3-7-26(23)27/h3-4,7-8,10-13,18-19,21,28-31,45H,2,5-6,9,14-17,20H2,1H3,(H2,40,52)(H,43,47)(H,46,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)(H4,41,42,44)/t28-,29-,30-,31-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibitory concentration of compound was determined against hMC1R through displacement of NDP-MSH radioligand using HEK293 cells				Bioorg Med Chem Lett 13: 649-52 (2003) BindingDB Entry DOI: 10.7270/Q2V69J0G
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50124766 ((S)-2-[(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...) Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C38H49ClN12O6/c1-2-6-33(53)48-31(17-25-19-43-21-47-25)37(57)50-29(15-22-10-12-24(39)13-11-22)36(56)49-28(9-5-14-44-38(41)42)35(55)51-30(34(54)46-20-32(40)52)16-23-18-45-27-8-4-3-7-26(23)27/h3-4,7-8,10-13,18-19,21,28-31,45H,2,5-6,9,14-17,20H2,1H3,(H2,40,52)(H,43,47)(H,46,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)(H4,41,42,44)/t28-,29-,30-,31-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibitory concentration of compound was determined against hMC1R through displacement of NDP-MSH radioligand using HEK293 cells				Bioorg Med Chem Lett 13: 649-52 (2003) BindingDB Entry DOI: 10.7270/Q2V69J0G
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50124766 ((S)-2-[(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...) Show SMILES CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O Show InChI InChI=1S/C38H49ClN12O6/c1-2-6-33(53)48-31(17-25-19-43-21-47-25)37(57)50-29(15-22-10-12-24(39)13-11-22)36(56)49-28(9-5-14-44-38(41)42)35(55)51-30(34(54)46-20-32(40)52)16-23-18-45-27-8-4-3-7-26(23)27/h3-4,7-8,10-13,18-19,21,28-31,45H,2,5-6,9,14-17,20H2,1H3,(H2,40,52)(H,43,47)(H,46,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)(H4,41,42,44)/t28-,29-,30-,31-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibitory concentration of compound was determined against hMC4R through displacement of NDP-MSH radioligand using HEK293 cells				Bioorg Med Chem Lett 13: 649-52 (2003) BindingDB Entry DOI: 10.7270/Q2V69J0G
					More data for this Ligand-Target Pair