BDBM50089425 CHEMBL3578004

SMILES: C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O)NC(C)=O

InChI Key: InChIKey=MIMLYWUEMIZKII-KMZPNFOHSA-N

Data: 1 IC50

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 1 hit for monomerid = 50089425   

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 (Mus musculus)	BDBM50089425 (CHEMBL3578004) Show SMILES C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O)NC(C)=O |r| Show InChI InChI=1S/C48H63N13O10S2/c1-27-41(65)57-33(21-29-13-6-3-7-14-29)46(70)61-37(40(50)64)25-72-73-26-38(55-28(2)62)47(71)56-32(19-12-20-53-48(51)52)42(66)58-34(22-30-15-8-4-9-16-30)44(68)59-35(23-31-17-10-5-11-18-31)45(69)60-36(24-39(49)63)43(67)54-27/h3-11,13-18,27,32-38H,12,19-26H2,1-2H3,(H2,49,63)(H2,50,64)(H,54,67)(H,55,62)(H,56,71)(H,57,65)(H,58,66)(H,59,68)(H,60,69)(H,61,70)(H4,51,52,53)/t27-,32-,33-,34-,35-,36-,37-,38-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of MTII from mouse MC3R expressed in HEK293 cells				J Med Chem 58: 4638-47 (2015) Article DOI: 10.1021/acs.jmedchem.5b00184 BindingDB Entry DOI: 10.7270/Q2T155C9
					More data for this Ligand-Target Pair