BDBM50535335 CHEMBL4463767

SMILES: OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CC2)c2ccc(Cc3ccc4OCCOc4c3)cc12

InChI Key: InChIKey=DHQNLCANKPRJJT-DUZWKJOOSA-N

Data: 3 KI  1 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 = 50535335   

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
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50535335 (CHEMBL4463767) Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CC2)c2ccc(Cc3ccc4OCCOc4c3)cc12 |r| Show InChI InChI=1S/C33H37N3O5.C2HF3O2/c1-19-13-24(37)14-20(2)25(19)18-27(34)32(38)35-28-9-10-36(33(39)23-5-6-23)29-7-3-21(16-26(28)29)15-22-4-8-30-31(17-22)41-12-11-40-30;3-2(4,5)1(6)7/h3-4,7-8,13-14,16-17,23,27-28,37H,5-6,9-12,15,18,34H2,1-2H3,(H,35,38);(H,6,7)/t27-,28+;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from rat delta opioid receptor expressed in rat C6 cell membranes measured after 1 hr by liquid scintillation count...				J Med Chem 62: 4193-4203 (2019) Article DOI: 10.1021/acs.jmedchem.9b00378
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50535335 (CHEMBL4463767) Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CC2)c2ccc(Cc3ccc4OCCOc4c3)cc12 |r| Show InChI InChI=1S/C33H37N3O5.C2HF3O2/c1-19-13-24(37)14-20(2)25(19)18-27(34)32(38)35-28-9-10-36(33(39)23-5-6-23)29-7-3-21(16-26(28)29)15-22-4-8-30-31(17-22)41-12-11-40-30;3-2(4,5)1(6)7/h3-4,7-8,13-14,16-17,23,27-28,37H,5-6,9-12,15,18,34H2,1-2H3,(H,35,38);(H,6,7)/t27-,28+;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membranes measured after 1 hr by liquid scintillation counting...				J Med Chem 62: 4193-4203 (2019) Article DOI: 10.1021/acs.jmedchem.9b00378
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50535335 (CHEMBL4463767) Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CC2)c2ccc(Cc3ccc4OCCOc4c3)cc12 |r| Show InChI InChI=1S/C33H37N3O5.C2HF3O2/c1-19-13-24(37)14-20(2)25(19)18-27(34)32(38)35-28-9-10-36(33(39)23-5-6-23)29-7-3-21(16-26(28)29)15-22-4-8-30-31(17-22)41-12-11-40-30;3-2(4,5)1(6)7/h3-4,7-8,13-14,16-17,23,27-28,37H,5-6,9-12,15,18,34H2,1-2H3,(H,35,38);(H,6,7)/t27-,28+;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	412	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes measured after 1 hr by liquid scintillation counti...				J Med Chem 62: 4193-4203 (2019) Article DOI: 10.1021/acs.jmedchem.9b00378
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50535335 (CHEMBL4463767) Show SMILES OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCN(C(=O)C2CC2)c2ccc(Cc3ccc4OCCOc4c3)cc12 |r| Show InChI InChI=1S/C33H37N3O5.C2HF3O2/c1-19-13-24(37)14-20(2)25(19)18-27(34)32(38)35-28-9-10-36(33(39)23-5-6-23)29-7-3-21(16-26(28)29)15-22-4-8-30-31(17-22)41-12-11-40-30;3-2(4,5)1(6)7/h3-4,7-8,13-14,16-17,23,27-28,37H,5-6,9-12,15,18,34H2,1-2H3,(H,35,38);(H,6,7)/t27-,28+;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at rat mu opioid receptor expressed in rat C6 cell membranes assessed as stimulation of [35S]GTPgammaS binding measured after 1 hr				J Med Chem 62: 4193-4203 (2019) Article DOI: 10.1021/acs.jmedchem.9b00378
					More data for this Ligand-Target Pair