BDBM235788 US9359399, 23

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

InChI Key: InChIKey=AXFXBIRQMYQRIW-CXDXLJMYSA-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 = 235788   

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))	BDBM235788 (US9359399, 23) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCNC(N)=N)C(=O)N1CCCN(CC1)C(N)=N |r| Show InChI InChI=1S/C35H53N11O4/c1-23(2)20-28(31(48)42-27(14-15-41-34(37)38)33(50)45-16-9-17-46(19-18-45)35(39)40)44-32(49)29(22-25-12-7-4-8-13-25)43-30(47)26(36)21-24-10-5-3-6-11-24/h3-8,10-13,23,26-29H,9,14-22,36H2,1-2H3,(H3,39,40)(H,42,48)(H,43,47)(H,44,49)(H4,37,38,41)/t26-,27-,28-,29-/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	0.170	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))	BDBM235788 (US9359399, 23) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCNC(N)=N)C(=O)N1CCCN(CC1)C(N)=N |r| Show InChI InChI=1S/C35H53N11O4/c1-23(2)20-28(31(48)42-27(14-15-41-34(37)38)33(50)45-16-9-17-46(19-18-45)35(39)40)44-32(49)29(22-25-12-7-4-8-13-25)43-30(47)26(36)21-24-10-5-3-6-11-24/h3-8,10-13,23,26-29H,9,14-22,36H2,1-2H3,(H3,39,40)(H,42,48)(H,43,47)(H,44,49)(H4,37,38,41)/t26-,27-,28-,29-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0910	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