BDBM50101152 CHEMBL3326232

SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O.CN[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1

InChI Key: InChIKey=YFDLAZLJSMCJJR-HFSDZXIBSA-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 = 50101152   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50101152 (CHEMBL3326232) Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 |r,wU:15.13,wD:18.20,(20.04,-1.08,;21.36,-1.84,;22.69,-1.08,;21.36,-3.37,;20.04,-4.13,;18.72,-3.37,;20.8,-5.45,;22.32,-5.46,;23.08,-6.78,;23.09,-4.13,;19.28,-5.45,;20.04,-6.77,;17.75,-5.44,;8.07,-7.76,;9.17,-8.84,;8.78,-10.34,;8,-11.67,;6.47,-11.66,;5.71,-10.33,;6.47,-9,;8.01,-9.01,;4.8,-11.59,;3.25,-11.43,;2.63,-10.01,;3.53,-8.77,;5.08,-8.93,;5.71,-7.51,;4.56,-6.48,;4.56,-4.92,;3.22,-4.16,;1.88,-4.93,;1.88,-6.48,;3.22,-7.25,;10.31,-10.35,;11.08,-11.69,;12.62,-11.7,;13.4,-10.37,;12.62,-9.02,;11.08,-9.02,)| Show InChI InChI=1S/C23H26N2O.C6H8O7/c1-24-22(17-7-3-2-4-8-17)12-14-23(15-13-22)21-19(11-16-26-23)18-9-5-6-10-20(18)25-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-10,24-25H,11-16H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t22-,23-;	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.360	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 MOP receptor expressed in CHO-K1 cells by scintillation proximity assay				ACS Med Chem Lett 5: 857-62 (2014) Article DOI: 10.1021/ml500117c BindingDB Entry DOI: 10.7270/Q25140ZK
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50101152 (CHEMBL3326232) Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccccc12)c1ccccc1 |r,wU:15.13,wD:18.20,(20.04,-1.08,;21.36,-1.84,;22.69,-1.08,;21.36,-3.37,;20.04,-4.13,;18.72,-3.37,;20.8,-5.45,;22.32,-5.46,;23.08,-6.78,;23.09,-4.13,;19.28,-5.45,;20.04,-6.77,;17.75,-5.44,;8.07,-7.76,;9.17,-8.84,;8.78,-10.34,;8,-11.67,;6.47,-11.66,;5.71,-10.33,;6.47,-9,;8.01,-9.01,;4.8,-11.59,;3.25,-11.43,;2.63,-10.01,;3.53,-8.77,;5.08,-8.93,;5.71,-7.51,;4.56,-6.48,;4.56,-4.92,;3.22,-4.16,;1.88,-4.93,;1.88,-6.48,;3.22,-7.25,;10.31,-10.35,;11.08,-11.69,;12.62,-11.7,;13.4,-10.37,;12.62,-9.02,;11.08,-9.02,)| Show InChI InChI=1S/C23H26N2O.C6H8O7/c1-24-22(17-7-3-2-4-8-17)12-14-23(15-13-22)21-19(11-16-26-23)18-9-5-6-10-20(18)25-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-10,24-25H,11-16H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t22-,23-;	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	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 by scintillation proximity assay				ACS Med Chem Lett 5: 857-62 (2014) Article DOI: 10.1021/ml500117c BindingDB Entry DOI: 10.7270/Q25140ZK
					More data for this Ligand-Target Pair