BDBM235791 US9359399, 33

SMILES: CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC2(CC1)N(CNC2=O)c1ccccc1

InChI Key: InChIKey=ZEHQULWCUDTSJR-LPYGTTGFSA-N

Data: 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 2 hits for monomerid = 235791   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM235791 (US9359399, 33) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |r| Show InChI InChI=1S/C43H58N8O5/c1-30(2)26-36(49-40(54)37(28-32-16-8-4-9-17-32)48-38(52)34(45)27-31-14-6-3-7-15-31)39(53)47-35(20-12-13-23-44)41(55)50-24-21-43(22-25-50)42(56)46-29-51(43)33-18-10-5-11-19-33/h3-11,14-19,30,34-37H,12-13,20-29,44-45H2,1-2H3,(H,46,56)(H,47,53)(H,48,52)(H,49,54)/t34-,35-,36-,37-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0165	n/a	n/a	n/a	25
Cara Therapeutics, Inc. US Patent					Assay Description Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...				US Patent US9359399 (2016) BindingDB Entry DOI: 10.7270/Q23B5Z2C
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM235791 (US9359399, 33) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |r| Show InChI InChI=1S/C43H58N8O5/c1-30(2)26-36(49-40(54)37(28-32-16-8-4-9-17-32)48-38(52)34(45)27-31-14-6-3-7-15-31)39(53)47-35(20-12-13-23-44)41(55)50-24-21-43(22-25-50)42(56)46-29-51(43)33-18-10-5-11-19-33/h3-11,14-19,30,34-37H,12-13,20-29,44-45H2,1-2H3,(H,46,56)(H,47,53)(H,48,52)(H,49,54)/t34-,35-,36-,37-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0767	n/a	n/a	n/a	25
Cara Therapeutics, Inc. US Patent					Assay Description Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...				US Patent US9359399 (2016) BindingDB Entry DOI: 10.7270/Q23B5Z2C
					More data for this Ligand-Target Pair