BDBM50101101 CHEMBL3325960

SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(C)cc12)c1ccccc1

InChI Key:

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 = 50101101   

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))	BDBM50101101 (CHEMBL3325960) Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(C)cc12)c1ccccc1 |r,wU:16.14,wD:19.21,(14.07,-29.66,;15.4,-30.42,;16.72,-29.66,;15.4,-31.95,;14.07,-32.71,;12.75,-31.95,;14.83,-34.03,;16.36,-34.04,;17.12,-35.36,;17.12,-32.72,;13.31,-34.03,;14.07,-35.35,;11.78,-34.02,;3.79,-34.96,;4.89,-36.05,;6.38,-35.64,;4.5,-37.55,;3.72,-38.88,;2.19,-38.87,;1.43,-37.54,;2.19,-36.21,;3.73,-36.22,;.52,-38.8,;-1.03,-38.64,;-1.67,-37.22,;-.75,-35.97,;.8,-36.13,;1.43,-34.72,;.28,-33.68,;.27,-32.13,;-1.07,-31.36,;-2.41,-32.14,;-3.74,-31.36,;-2.4,-33.68,;-1.07,-34.45,;6.03,-37.56,;6.8,-38.9,;8.34,-38.91,;9.12,-37.58,;8.34,-36.23,;6.8,-36.23,)| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	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))	BDBM50101101 (CHEMBL3325960) Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(C)cc12)c1ccccc1 |r,wU:16.14,wD:19.21,(14.07,-29.66,;15.4,-30.42,;16.72,-29.66,;15.4,-31.95,;14.07,-32.71,;12.75,-31.95,;14.83,-34.03,;16.36,-34.04,;17.12,-35.36,;17.12,-32.72,;13.31,-34.03,;14.07,-35.35,;11.78,-34.02,;3.79,-34.96,;4.89,-36.05,;6.38,-35.64,;4.5,-37.55,;3.72,-38.88,;2.19,-38.87,;1.43,-37.54,;2.19,-36.21,;3.73,-36.22,;.52,-38.8,;-1.03,-38.64,;-1.67,-37.22,;-.75,-35.97,;.8,-36.13,;1.43,-34.72,;.28,-33.68,;.27,-32.13,;-1.07,-31.36,;-2.41,-32.14,;-3.74,-31.36,;-2.4,-33.68,;-1.07,-34.45,;6.03,-37.56,;6.8,-38.9,;8.34,-38.91,;9.12,-37.58,;8.34,-36.23,;6.8,-36.23,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.5	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