BDBM86662 CAS_111555-53-4::NALTRINDOLE::NSC_3034754

SMILES: Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2ccccc2c1CC35O

InChI Key: InChIKey=WIYUZYBFCWCCQJ-UHFFFAOYSA-N

Data: 3 KI

PDB links: 2 PDB IDs match 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 3 hits for monomerid = 86662   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM86662 (CAS_111555-53-4 | NALTRINDOLE | NSC_3034754) Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2ccccc2c1CC35O |TLB:28:29:7.12.13:5.4.18,THB:30:29:7.12.13:5.4.18| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2	PDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
I.G.B.M.C. Curated by PDSP Ki Database									J Pharmacol Exp Ther 313: 410-21 (2005) Article DOI: 10.1124/jpet.104.077321 BindingDB Entry DOI: 10.7270/Q2XD107N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nociceptin/Orphanin FQ, NOP receptor (MOUSE)	BDBM86662 (CAS_111555-53-4 | NALTRINDOLE | NSC_3034754) Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2ccccc2c1CC35O |TLB:28:29:7.12.13:5.4.18,THB:30:29:7.12.13:5.4.18| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2	PDB GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PubMed	236	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by PDSP Ki Database									Pharmacol Rev 53: 381-415 (2001) BindingDB Entry DOI: 10.7270/Q2QJ7FWB
					More data for this Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor (MOUSE)	BDBM86662 (CAS_111555-53-4 | NALTRINDOLE | NSC_3034754) Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)c1[nH]c2ccccc2c1CC35O |TLB:28:29:7.12.13:5.4.18,THB:30:29:7.12.13:5.4.18| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2	PDB GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by PDSP Ki Database									Pharmacol Rev 53: 381-415 (2001) BindingDB Entry DOI: 10.7270/Q2QJ7FWB
					More data for this Ligand-Target Pair