BDBM50506212 CHEMBL4439371

SMILES: Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1ccc2occc2c1)ccc3O

InChI Key: InChIKey=JGLHXQXUHKJCKZ-HBJKKLOVSA-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 = 50506212   

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 and delta (MOUSE)	BDBM50506212 (CHEMBL4439371) Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1ccc2occc2c1)ccc3O |r,THB:11:10:18:7.6.5| Show InChI InChI=1S/C29H30N2O5.ClH/c32-21-5-3-18-14-23-29(34)9-7-20(30-27(33)19-4-6-22-17(13-19)8-12-35-22)26-28(29,24(18)25(21)36-26)10-11-31(23)15-16-1-2-16;/h3-6,8,12-13,16,20,23,26,32,34H,1-2,7,9-11,14-15H2,(H,30,33);1H/t20-,23+,26-,28-,29+;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]-Naloxone from mouse mu opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay				J Med Chem 62: 11399-11415 (2019) Article DOI: 10.1021/acs.jmedchem.9b01767
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50506212 (CHEMBL4439371) Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1ccc2occc2c1)ccc3O |r,THB:11:10:18:7.6.5| Show InChI InChI=1S/C29H30N2O5.ClH/c32-21-5-3-18-14-23-29(34)9-7-20(30-27(33)19-4-6-22-17(13-19)8-12-35-22)26-28(29,24(18)25(21)36-26)10-11-31(23)15-16-1-2-16;/h3-6,8,12-13,16,20,23,26,32,34H,1-2,7,9-11,14-15H2,(H,30,33);1H/t20-,23+,26-,28-,29+;/m0./s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]-Naltrindole from mouse kappa opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding ass...				J Med Chem 62: 11399-11415 (2019) Article DOI: 10.1021/acs.jmedchem.9b01767
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50506212 (CHEMBL4439371) Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1ccc2occc2c1)ccc3O |r,THB:11:10:18:7.6.5| Show InChI InChI=1S/C29H30N2O5.ClH/c32-21-5-3-18-14-23-29(34)9-7-20(30-27(33)19-4-6-22-17(13-19)8-12-35-22)26-28(29,24(18)25(21)36-26)10-11-31(23)15-16-1-2-16;/h3-6,8,12-13,16,20,23,26,32,34H,1-2,7,9-11,14-15H2,(H,30,33);1H/t20-,23+,26-,28-,29+;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]-norBNI from human delta opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay				J Med Chem 62: 11399-11415 (2019) Article DOI: 10.1021/acs.jmedchem.9b01767
					More data for this Ligand-Target Pair
Opioid receptors; mu and delta (MOUSE)	BDBM50506212 (CHEMBL4439371) Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1ccc2occc2c1)ccc3O |r,THB:11:10:18:7.6.5| Show InChI InChI=1S/C29H30N2O5.ClH/c32-21-5-3-18-14-23-29(34)9-7-20(30-27(33)19-4-6-22-17(13-19)8-12-35-22)26-28(29,24(18)25(21)36-26)10-11-31(23)15-16-1-2-16;/h3-6,8,12-13,16,20,23,26,32,34H,1-2,7,9-11,14-15H2,(H,30,33);1H/t20-,23+,26-,28-,29+;/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	3.70	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Agonist activity at recombinant mouse mu opioid receptor expressed in CHO cell membrane assessed as [35]-GTPgammaS binding incubated for 1.5 hrs by s...				J Med Chem 62: 11399-11415 (2019) Article DOI: 10.1021/acs.jmedchem.9b01767
					More data for this Ligand-Target Pair