BDBM235804 US9359399, 17

SMILES: CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCNC(C)C)C(=O)N1CCCN(CC1)C(N)=N

InChI Key: InChIKey=NNEBLZVCBSKWEJ-YFRBGRBWSA-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 = 235804   

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))	BDBM235804 (US9359399, 17) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCNC(C)C)C(=O)N1CCCN(CC1)C(N)=N |r| Show InChI InChI=1S/C39H61N9O4/c1-27(2)24-33(36(50)44-32(18-11-12-19-43-28(3)4)38(52)47-20-13-21-48(23-22-47)39(41)42)46-37(51)34(26-30-16-9-6-10-17-30)45-35(49)31(40)25-29-14-7-5-8-15-29/h5-10,14-17,27-28,31-34,43H,11-13,18-26,40H2,1-4H3,(H3,41,42)(H,44,50)(H,45,49)(H,46,51)/t31-,32-,33-,34-/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	0.100	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))	BDBM235804 (US9359399, 17) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCNC(C)C)C(=O)N1CCCN(CC1)C(N)=N |r| Show InChI InChI=1S/C39H61N9O4/c1-27(2)24-33(36(50)44-32(18-11-12-19-43-28(3)4)38(52)47-20-13-21-48(23-22-47)39(41)42)46-37(51)34(26-30-16-9-6-10-17-30)45-35(49)31(40)25-29-14-7-5-8-15-29/h5-10,14-17,27-28,31-34,43H,11-13,18-26,40H2,1-4H3,(H3,41,42)(H,44,50)(H,45,49)(H,46,51)/t31-,32-,33-,34-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0390	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