BDBM50100990 CHEMBL3325878

SMILES: Cl.Cl.CN(C)[C@]1(CC[C@@H](CC1)NCCc1ccccc1)c1ccccc1

InChI Key: InChIKey=CXVUQJZAFPXNEG-HZCBDIJESA-N

Data: 2 KI

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 = 50100990   

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
Nociceptin receptor (Homo sapiens (Human))	BDBM50100990 (CHEMBL3325878) Show SMILES Cl.Cl.CN(C)[C@]1(CC[C@@H](CC1)NCCc1ccccc1)c1ccccc1 |r,wU:5.2,wD:8.9,(20.12,-18.98,;13.08,-21.67,;17.61,-17.09,;16.27,-16.32,;16.27,-14.78,;14.94,-17.09,;14.17,-18.42,;12.63,-18.43,;11.86,-17.1,;12.62,-15.77,;14.17,-15.76,;10.32,-17.1,;9.56,-18.44,;8.02,-18.45,;7.26,-19.79,;5.72,-19.79,;4.96,-21.13,;5.73,-22.46,;7.28,-22.45,;8.04,-21.11,;15.74,-18.41,;14.99,-19.76,;15.79,-21.08,;17.33,-21.05,;18.07,-19.69,;17.27,-18.37,)| Show InChI InChI=1S/C22H30N2/c1-24(2)22(20-11-7-4-8-12-20)16-13-21(14-17-22)23-18-15-19-9-5-3-6-10-19/h3-12,21,23H,13-18H2,1-2H3/t21-,22-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacokinetics Curated by ChEMBL					Assay Description Displacement of [3H]nociceptin from human NOP receptor expressed in CHO-K1 cells after 90 mins				ACS Med Chem Lett 5: 851-6 (2014) Article DOI: 10.1021/ml500116x BindingDB Entry DOI: 10.7270/Q28S4RPM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50100990 (CHEMBL3325878) Show SMILES Cl.Cl.CN(C)[C@]1(CC[C@@H](CC1)NCCc1ccccc1)c1ccccc1 |r,wU:5.2,wD:8.9,(20.12,-18.98,;13.08,-21.67,;17.61,-17.09,;16.27,-16.32,;16.27,-14.78,;14.94,-17.09,;14.17,-18.42,;12.63,-18.43,;11.86,-17.1,;12.62,-15.77,;14.17,-15.76,;10.32,-17.1,;9.56,-18.44,;8.02,-18.45,;7.26,-19.79,;5.72,-19.79,;4.96,-21.13,;5.73,-22.46,;7.28,-22.45,;8.04,-21.11,;15.74,-18.41,;14.99,-19.76,;15.79,-21.08,;17.33,-21.05,;18.07,-19.69,;17.27,-18.37,)| Show InChI InChI=1S/C22H30N2/c1-24(2)22(20-11-7-4-8-12-20)16-13-21(14-17-22)23-18-15-19-9-5-3-6-10-19/h3-12,21,23H,13-18H2,1-2H3/t21-,22-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacokinetics Curated by ChEMBL					Assay Description Displacement of [3H]Naloxone from human mu opioid receptor receptor expressed in CHO-K1 cells after 90 mins				ACS Med Chem Lett 5: 851-6 (2014) Article DOI: 10.1021/ml500116x BindingDB Entry DOI: 10.7270/Q28S4RPM
					More data for this Ligand-Target Pair