BDBM50533716 CHEMBL4453504

SMILES: [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2ccccc2C1=O)C(=C/OC)\C(=O)OC

InChI Key: InChIKey=ZGFZEUQTWZGDLW-GHINOQSISA-N

Data: 3 KI  2 IC50  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 6 hits for monomerid = 50533716   

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 (MOUSE)	BDBM50533716 (CHEMBL4453504) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2ccccc2C1=O)C(=C/OC)\C(=O)OC |r| Show InChI InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(20(25)15-7-5-6-8-18(15)23-22)19(24)11-16(14)17(13-27-2)21(26)28-3/h5-8,13-14,16,19,23H,4,9-12H2,1-3H3/b17-13+/t14-,16+,19+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-IBNtxA from mouse mu opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins				J Med Chem 59: 8381-97 (2016) Article DOI: 10.1021/acs.jmedchem.6b00748
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50533716 (CHEMBL4453504) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2ccccc2C1=O)C(=C/OC)\C(=O)OC |r| Show InChI InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(20(25)15-7-5-6-8-18(15)23-22)19(24)11-16(14)17(13-27-2)21(26)28-3/h5-8,13-14,16,19,23H,4,9-12H2,1-3H3/b17-13+/t14-,16+,19+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-IBNtxA from mouse delta opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins				J Med Chem 59: 8381-97 (2016) Article DOI: 10.1021/acs.jmedchem.6b00748
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50533716 (CHEMBL4453504) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2ccccc2C1=O)C(=C/OC)\C(=O)OC |r| Show InChI InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(20(25)15-7-5-6-8-18(15)23-22)19(24)11-16(14)17(13-27-2)21(26)28-3/h5-8,13-14,16,19,23H,4,9-12H2,1-3H3/b17-13+/t14-,16+,19+,22+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-IBNtxA from mouse kappa opioid receptor-1 expressed in CHO cell membranes incubated for 90 mins				J Med Chem 59: 8381-97 (2016) Article DOI: 10.1021/acs.jmedchem.6b00748
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50533716 (CHEMBL4453504) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2ccccc2C1=O)C(=C/OC)\C(=O)OC |r| Show InChI InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(20(25)15-7-5-6-8-18(15)23-22)19(24)11-16(14)17(13-27-2)21(26)28-3/h5-8,13-14,16,19,23H,4,9-12H2,1-3H3/b17-13+/t14-,16+,19+,22+/m1/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	1.40	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Agonist activity at mouse mu opioid receptor-1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding incubated for 60 mins by scintillat...				J Med Chem 59: 8381-97 (2016) Article DOI: 10.1021/acs.jmedchem.6b00748
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50533716 (CHEMBL4453504) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2ccccc2C1=O)C(=C/OC)\C(=O)OC |r| Show InChI InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(20(25)15-7-5-6-8-18(15)23-22)19(24)11-16(14)17(13-27-2)21(26)28-3/h5-8,13-14,16,19,23H,4,9-12H2,1-3H3/b17-13+/t14-,16+,19+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	193	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Antagonist activity at mouse delta opioid receptor-1 expressed in CHO cell membranes assessed as inhibition of DPDPE-induced [35S]GTPgammaS binding i...				J Med Chem 59: 8381-97 (2016) Article DOI: 10.1021/acs.jmedchem.6b00748
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50533716 (CHEMBL4453504) Show SMILES [H][C@@]12C[C@@H]([C@H](CC)CN1CC[C@]21Nc2ccccc2C1=O)C(=C/OC)\C(=O)OC |r| Show InChI InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(20(25)15-7-5-6-8-18(15)23-22)19(24)11-16(14)17(13-27-2)21(26)28-3/h5-8,13-14,16,19,23H,4,9-12H2,1-3H3/b17-13+/t14-,16+,19+,22+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	252	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan Kettering Cancer Center Curated by ChEMBL					Assay Description Antagonist activity at mouse kappa opioid receptor-1 expressed in CHO cell membranes assessed as inhibition of U50,488H-induced [35S]GTPgammaS bindin...				J Med Chem 59: 8381-97 (2016) Article DOI: 10.1021/acs.jmedchem.6b00748
					More data for this Ligand-Target Pair