BDBM50084665 CHEMBL115189::N*4*-(2,2-Dimethyl-1-methylcarbamoyl-propyl)-2,N*1*-dihydroxy-3-isobutyl-succinamide(Marimisant)

SMILES: CNC(=O)C(NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C

InChI Key: InChIKey=OCSMOTCMPXTDND-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50084665   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Stromelysin-1 (Human)	BDBM50084665 (N*4*-(2,2-Dimethyl-1-methylcarbamoyl-propyl)-2,N*1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Matrilysin (Human)	BDBM50084665 (N*4*-(2,2-Dimethyl-1-methylcarbamoyl-propyl)-2,N*1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Interstitial collagenase (Human)	BDBM50084665 (N*4*-(2,2-Dimethyl-1-methylcarbamoyl-propyl)-2,N*1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Human)	BDBM50084665 (N*4*-(2,2-Dimethyl-1-methylcarbamoyl-propyl)-2,N*1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Neutrophil collagenase (Human)	BDBM50084665 (N*4*-(2,2-Dimethyl-1-methylcarbamoyl-propyl)-2,N*1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Human)	BDBM50084665 (N*4*-(2,2-Dimethyl-1-methylcarbamoyl-propyl)-2,N*1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair