BDBM235803 US9359399, 16

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

InChI Key: InChIKey=YMMBZVRGWAYMGG-OMRVPHBLSA-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 = 235803   

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))	BDBM235803 (US9359399, 16) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCNC(N)=N)C(=O)N1CCCN(CC1)C(N)=N |r| Show InChI InChI=1S/C37H57N11O4/c1-25(2)22-30(33(50)44-29(16-9-10-17-43-36(39)40)35(52)47-18-11-19-48(21-20-47)37(41)42)46-34(51)31(24-27-14-7-4-8-15-27)45-32(49)28(38)23-26-12-5-3-6-13-26/h3-8,12-15,25,28-31H,9-11,16-24,38H2,1-2H3,(H3,41,42)(H,44,50)(H,45,49)(H,46,51)(H4,39,40,43)/t28-,29-,30-,31-/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	0.110	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))	BDBM235803 (US9359399, 16) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCNC(N)=N)C(=O)N1CCCN(CC1)C(N)=N |r| Show InChI InChI=1S/C37H57N11O4/c1-25(2)22-30(33(50)44-29(16-9-10-17-43-36(39)40)35(52)47-18-11-19-48(21-20-47)37(41)42)46-34(51)31(24-27-14-7-4-8-15-27)45-32(49)28(38)23-26-12-5-3-6-13-26/h3-8,12-15,25,28-31H,9-11,16-24,38H2,1-2H3,(H3,41,42)(H,44,50)(H,45,49)(H,46,51)(H4,39,40,43)/t28-,29-,30-,31-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0210	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