BDBM50101097 CHEMBL3325959

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

InChI Key:

Data: 2 KI  2 EC50

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 4 hits for monomerid = 50101097   

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))	BDBM50101097 (CHEMBL3325959) Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |r,wU:15.13,wD:18.20,(31.05,-21.3,;32.37,-22.06,;33.7,-21.3,;32.37,-23.59,;31.05,-24.35,;29.73,-23.59,;31.81,-25.67,;33.33,-25.68,;34.09,-27,;34.1,-24.36,;30.29,-25.67,;31.05,-26.99,;28.76,-25.66,;22.12,-24.26,;23.22,-25.34,;22.83,-26.85,;22.05,-28.17,;20.52,-28.17,;19.76,-26.83,;20.52,-25.5,;22.06,-25.51,;18.85,-28.09,;17.31,-27.93,;16.68,-26.52,;17.59,-25.27,;19.13,-25.43,;19.76,-24.02,;18.61,-22.98,;18.61,-21.42,;17.27,-20.66,;15.94,-21.43,;14.6,-20.66,;15.93,-22.98,;17.27,-23.75,;24.36,-26.85,;25.13,-28.2,;26.67,-28.2,;27.45,-26.87,;26.68,-25.52,;25.14,-25.52,)| 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	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))	BDBM50101097 (CHEMBL3325959) Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |r,wU:15.13,wD:18.20,(31.05,-21.3,;32.37,-22.06,;33.7,-21.3,;32.37,-23.59,;31.05,-24.35,;29.73,-23.59,;31.81,-25.67,;33.33,-25.68,;34.09,-27,;34.1,-24.36,;30.29,-25.67,;31.05,-26.99,;28.76,-25.66,;22.12,-24.26,;23.22,-25.34,;22.83,-26.85,;22.05,-28.17,;20.52,-28.17,;19.76,-26.83,;20.52,-25.5,;22.06,-25.51,;18.85,-28.09,;17.31,-27.93,;16.68,-26.52,;17.59,-25.27,;19.13,-25.43,;19.76,-24.02,;18.61,-22.98,;18.61,-21.42,;17.27,-20.66,;15.94,-21.43,;14.6,-20.66,;15.93,-22.98,;17.27,-23.75,;24.36,-26.85,;25.13,-28.2,;26.67,-28.2,;27.45,-26.87,;26.68,-25.52,;25.14,-25.52,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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]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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50101097 (CHEMBL3325959) Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |r,wU:15.13,wD:18.20,(31.05,-21.3,;32.37,-22.06,;33.7,-21.3,;32.37,-23.59,;31.05,-24.35,;29.73,-23.59,;31.81,-25.67,;33.33,-25.68,;34.09,-27,;34.1,-24.36,;30.29,-25.67,;31.05,-26.99,;28.76,-25.66,;22.12,-24.26,;23.22,-25.34,;22.83,-26.85,;22.05,-28.17,;20.52,-28.17,;19.76,-26.83,;20.52,-25.5,;22.06,-25.51,;18.85,-28.09,;17.31,-27.93,;16.68,-26.52,;17.59,-25.27,;19.13,-25.43,;19.76,-24.02,;18.61,-22.98,;18.61,-21.42,;17.27,-20.66,;15.94,-21.43,;14.6,-20.66,;15.93,-22.98,;17.27,-23.75,;24.36,-26.85,;25.13,-28.2,;26.67,-28.2,;27.45,-26.87,;26.68,-25.52,;25.14,-25.52,)| 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	n/a	n/a	n/a	n/a	2.60	n/a	n/a	n/a	n/a
Pharmacokinetics Curated by ChEMBL					Assay Description Agonist activity at human recombinant MOP receptor expressed in CHO-K1 cells assessed as stimulation of [35S]GTPgammaS binding by scintillation proxi...				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))	BDBM50101097 (CHEMBL3325959) Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O.CN[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |r,wU:15.13,wD:18.20,(31.05,-21.3,;32.37,-22.06,;33.7,-21.3,;32.37,-23.59,;31.05,-24.35,;29.73,-23.59,;31.81,-25.67,;33.33,-25.68,;34.09,-27,;34.1,-24.36,;30.29,-25.67,;31.05,-26.99,;28.76,-25.66,;22.12,-24.26,;23.22,-25.34,;22.83,-26.85,;22.05,-28.17,;20.52,-28.17,;19.76,-26.83,;20.52,-25.5,;22.06,-25.51,;18.85,-28.09,;17.31,-27.93,;16.68,-26.52,;17.59,-25.27,;19.13,-25.43,;19.76,-24.02,;18.61,-22.98,;18.61,-21.42,;17.27,-20.66,;15.94,-21.43,;14.6,-20.66,;15.93,-22.98,;17.27,-23.75,;24.36,-26.85,;25.13,-28.2,;26.67,-28.2,;27.45,-26.87,;26.68,-25.52,;25.14,-25.52,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a
Pharmacokinetics Curated by ChEMBL					Assay Description Agonist activity at human recombinant NOP receptor expressed in CHO-K1 cells assessed as stimulation of [35S]GTPgammaS binding by scintillation proxi...				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