BDBM50250214 CHEMBL4100598

SMILES: C[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O

InChI Key: InChIKey=ZMDIGBLEWXRDKU-KHVHFHLBSA-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 = 50250214   

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 (Homo sapiens (Human))	BDBM50250214 (CHEMBL4100598) Show SMILES C[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r| Show InChI InChI=1S/C49H66N18O9/c1-27(48(75)76)58-43(70)39-21-31-24-67(66-65-31)25-40(64-41(68)33(51)13-7-8-16-50)47(74)63-38(20-30-23-54-26-57-30)46(73)60-36(18-28-10-3-2-4-11-28)44(71)59-35(15-9-17-55-49(52)53)42(69)61-37(45(72)62-39)19-29-22-56-34-14-6-5-12-32(29)34/h2-6,10-12,14,22-24,26-27,33,35-40,56H,7-9,13,15-21,25,50-51H2,1H3,(H,54,57)(H,58,70)(H,59,71)(H,60,73)(H,61,69)(H,62,72)(H,63,74)(H,64,68)(H,75,76)(H4,52,53,55)/t27-,33-,35-,36+,37-,38-,39-,40-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	162	n/a	n/a	n/a	n/a
CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Agonist activity at EYFP-fused human MC3R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay				J Med Chem 60: 8716-8730 (2017) Article DOI: 10.1021/acs.jmedchem.7b00353 BindingDB Entry DOI: 10.7270/Q2VQ3535
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50250214 (CHEMBL4100598) Show SMILES C[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r| Show InChI InChI=1S/C49H66N18O9/c1-27(48(75)76)58-43(70)39-21-31-24-67(66-65-31)25-40(64-41(68)33(51)13-7-8-16-50)47(74)63-38(20-30-23-54-26-57-30)46(73)60-36(18-28-10-3-2-4-11-28)44(71)59-35(15-9-17-55-49(52)53)42(69)61-37(45(72)62-39)19-29-22-56-34-14-6-5-12-32(29)34/h2-6,10-12,14,22-24,26-27,33,35-40,56H,7-9,13,15-21,25,50-51H2,1H3,(H,54,57)(H,58,70)(H,59,71)(H,60,73)(H,61,69)(H,62,72)(H,63,74)(H,64,68)(H,75,76)(H4,52,53,55)/t27-,33-,35-,36+,37-,38-,39-,40-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.30	n/a	n/a	n/a	n/a
CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Agonist activity at EYFP-fused human MC4R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay				J Med Chem 60: 8716-8730 (2017) Article DOI: 10.1021/acs.jmedchem.7b00353 BindingDB Entry DOI: 10.7270/Q2VQ3535
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50250214 (CHEMBL4100598) Show SMILES C[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r| Show InChI InChI=1S/C49H66N18O9/c1-27(48(75)76)58-43(70)39-21-31-24-67(66-65-31)25-40(64-41(68)33(51)13-7-8-16-50)47(74)63-38(20-30-23-54-26-57-30)46(73)60-36(18-28-10-3-2-4-11-28)44(71)59-35(15-9-17-55-49(52)53)42(69)61-37(45(72)62-39)19-29-22-56-34-14-6-5-12-32(29)34/h2-6,10-12,14,22-24,26-27,33,35-40,56H,7-9,13,15-21,25,50-51H2,1H3,(H,54,57)(H,58,70)(H,59,71)(H,60,73)(H,61,69)(H,62,72)(H,63,74)(H,64,68)(H,75,76)(H4,52,53,55)/t27-,33-,35-,36+,37-,38-,39-,40-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Agonist activity at EYFP-fused human MC4R expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by luminescent enzymatic ...				J Med Chem 60: 8716-8730 (2017) Article DOI: 10.1021/acs.jmedchem.7b00353 BindingDB Entry DOI: 10.7270/Q2VQ3535
					More data for this Ligand-Target Pair
Melanocortin receptor (M4 and M5) (Homo sapiens (Human))	BDBM50250214 (CHEMBL4100598) Show SMILES C[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r| Show InChI InChI=1S/C49H66N18O9/c1-27(48(75)76)58-43(70)39-21-31-24-67(66-65-31)25-40(64-41(68)33(51)13-7-8-16-50)47(74)63-38(20-30-23-54-26-57-30)46(73)60-36(18-28-10-3-2-4-11-28)44(71)59-35(15-9-17-55-49(52)53)42(69)61-37(45(72)62-39)19-29-22-56-34-14-6-5-12-32(29)34/h2-6,10-12,14,22-24,26-27,33,35-40,56H,7-9,13,15-21,25,50-51H2,1H3,(H,54,57)(H,58,70)(H,59,71)(H,60,73)(H,61,69)(H,62,72)(H,63,74)(H,64,68)(H,75,76)(H4,52,53,55)/t27-,33-,35-,36+,37-,38-,39-,40-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	635	n/a	n/a	n/a	n/a
CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Agonist activity at EYFP-fused human MC5R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay				J Med Chem 60: 8716-8730 (2017) Article DOI: 10.1021/acs.jmedchem.7b00353 BindingDB Entry DOI: 10.7270/Q2VQ3535
					More data for this Ligand-Target Pair