BDBM15197 US8846929, 233

SMILES: [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(=O)Nc3nc(CC(O)=O)cs3)c1=O)N2C1CCCCCCC1

InChI Key: InChIKey=NREXELYSNQBVSL-ZBYYUNFXSA-N

Data: 1 KI

PDB links: 3 PDB IDs match this monomer. 4 PDB IDs contain this monomer as substructures. 4 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 1 hit for monomerid = 15197   

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
Opioid growth factor receptor-like protein 1 (Homo sapiens (Human))	BDBM15197 (US8846929, 233) Show SMILES [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(=O)Nc3nc(CC(O)=O)cs3)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:33:2.3| Show InChI InChI=1S/C29H35N5O4S/c35-25(36)14-18-17-39-29(30-18)32-27(37)26-28(38)34(24-11-7-6-10-23(24)31-26)22-15-20-12-13-21(16-22)33(20)19-8-4-2-1-3-5-9-19/h6-7,10-11,17,19-22H,1-5,8-9,12-16H2,(H,35,36)(H,30,32,37)/t20-,21+,22+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	144	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair