BDBM50266696 CHEMBL4063911

SMILES: CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O

InChI Key: InChIKey=ZMBJSZYTIJFURY-BPXGVECKSA-N

Data: 2 IC50  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 6 hits for monomerid = 50266696   

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)	BDBM50266696 (CHEMBL4063911) Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r| Show InChI InChI=1S/C33H41IN10O5/c1-19(45)41-26(15-24-16-38-18-40-24)31(48)42-25(7-4-12-39-33(36)37)30(47)43-27(13-20-8-10-23(34)11-9-20)32(49)44-17-22-6-3-2-5-21(22)14-28(44)29(35)46/h2-3,5-6,8-11,16,18,25-28H,4,7,12-15,17H2,1H3,(H2,35,46)(H,38,40)(H,41,45)(H,42,48)(H,43,47)(H4,36,37,39)/t25-,26-,27+,28-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Agonist activity at mouse MC4R expressed in HEK293 cells assessed as induction of cAMP accumulation after 2 hrs by alpha screen assay				J Med Chem 60: 4342-4357 (2017) Article DOI: 10.1021/acs.jmedchem.7b00301 BindingDB Entry DOI: 10.7270/Q24170J1
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Mus musculus)	BDBM50266696 (CHEMBL4063911) Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r| Show InChI InChI=1S/C33H41IN10O5/c1-19(45)41-26(15-24-16-38-18-40-24)31(48)42-25(7-4-12-39-33(36)37)30(47)43-27(13-20-8-10-23(34)11-9-20)32(49)44-17-22-6-3-2-5-21(22)14-28(44)29(35)46/h2-3,5-6,8-11,16,18,25-28H,4,7,12-15,17H2,1H3,(H2,35,46)(H,38,40)(H,41,45)(H,42,48)(H,43,47)(H4,36,37,39)/t25-,26-,27+,28-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Agonist activity at mouse MC3R expressed in HEK293 cells assessed as induction of cAMP accumulation after 2 hrs by alpha screen assay				J Med Chem 60: 4342-4357 (2017) Article DOI: 10.1021/acs.jmedchem.7b00301 BindingDB Entry DOI: 10.7270/Q24170J1
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50266696 (CHEMBL4063911) Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r| Show InChI InChI=1S/C33H41IN10O5/c1-19(45)41-26(15-24-16-38-18-40-24)31(48)42-25(7-4-12-39-33(36)37)30(47)43-27(13-20-8-10-23(34)11-9-20)32(49)44-17-22-6-3-2-5-21(22)14-28(44)29(35)46/h2-3,5-6,8-11,16,18,25-28H,4,7,12-15,17H2,1H3,(H2,35,46)(H,38,40)(H,41,45)(H,42,48)(H,43,47)(H4,36,37,39)/t25-,26-,27+,28-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-MSH from mouse MC4R expressed in HEK293 cells after 1 hr by gamma counting				J Med Chem 60: 4342-4357 (2017) Article DOI: 10.1021/acs.jmedchem.7b00301 BindingDB Entry DOI: 10.7270/Q24170J1
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (Mus musculus (Mouse))	BDBM50266696 (CHEMBL4063911) Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r| Show InChI InChI=1S/C33H41IN10O5/c1-19(45)41-26(15-24-16-38-18-40-24)31(48)42-25(7-4-12-39-33(36)37)30(47)43-27(13-20-8-10-23(34)11-9-20)32(49)44-17-22-6-3-2-5-21(22)14-28(44)29(35)46/h2-3,5-6,8-11,16,18,25-28H,4,7,12-15,17H2,1H3,(H2,35,46)(H,38,40)(H,41,45)(H,42,48)(H,43,47)(H4,36,37,39)/t25-,26-,27+,28-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Agonist activity at mouse MC5R expressed in HEK293 cells assessed as induction of cAMP accumulation after 2 hrs by alpha screen assay				J Med Chem 60: 4342-4357 (2017) Article DOI: 10.1021/acs.jmedchem.7b00301 BindingDB Entry DOI: 10.7270/Q24170J1
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Mus musculus)	BDBM50266696 (CHEMBL4063911) Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r| Show InChI InChI=1S/C33H41IN10O5/c1-19(45)41-26(15-24-16-38-18-40-24)31(48)42-25(7-4-12-39-33(36)37)30(47)43-27(13-20-8-10-23(34)11-9-20)32(49)44-17-22-6-3-2-5-21(22)14-28(44)29(35)46/h2-3,5-6,8-11,16,18,25-28H,4,7,12-15,17H2,1H3,(H2,35,46)(H,38,40)(H,41,45)(H,42,48)(H,43,47)(H4,36,37,39)/t25-,26-,27+,28-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	975	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-MSH from mouse MC3R expressed in HEK293 cells after 1 hr by gamma counting				J Med Chem 60: 4342-4357 (2017) Article DOI: 10.1021/acs.jmedchem.7b00301 BindingDB Entry DOI: 10.7270/Q24170J1
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Mus musculus)	BDBM50266696 (CHEMBL4063911) Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r| Show InChI InChI=1S/C33H41IN10O5/c1-19(45)41-26(15-24-16-38-18-40-24)31(48)42-25(7-4-12-39-33(36)37)30(47)43-27(13-20-8-10-23(34)11-9-20)32(49)44-17-22-6-3-2-5-21(22)14-28(44)29(35)46/h2-3,5-6,8-11,16,18,25-28H,4,7,12-15,17H2,1H3,(H2,35,46)(H,38,40)(H,41,45)(H,42,48)(H,43,47)(H4,36,37,39)/t25-,26-,27+,28-/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.710	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Agonist activity at mouse MC1R expressed in HEK293 cells assessed as induction of cAMP accumulation after 2 hrs by alpha screen assay				J Med Chem 60: 4342-4357 (2017) Article DOI: 10.1021/acs.jmedchem.7b00301 BindingDB Entry DOI: 10.7270/Q24170J1
					More data for this Ligand-Target Pair