BDBM50506215 CHEMBL4589984

SMILES: Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2ccsc12)ccc3O

InChI Key: InChIKey=RGLATECFDUVBGN-KKIGFEGMSA-N

Data: 3 KI  1 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 5 hits for monomerid = 50506215   

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)	BDBM50506215 (CHEMBL4589984) Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2ccsc12)ccc3O |r,THB:11:10:18:7.6.5| Show InChI InChI=1S/C29H30N2O4S.ClH/c32-21-7-6-18-14-22-29(34)10-8-20(30-27(33)19-3-1-2-17-9-13-36-25(17)19)26-28(29,23(18)24(21)35-26)11-12-31(22)15-16-4-5-16;/h1-3,6-7,9,13,16,20,22,26,32,34H,4-5,8,10-12,14-15H2,(H,30,33);1H/t20-,22+,26-,28-,29+;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.310	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))	BDBM50506215 (CHEMBL4589984) Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2ccsc12)ccc3O |r,THB:11:10:18:7.6.5| Show InChI InChI=1S/C29H30N2O4S.ClH/c32-21-7-6-18-14-22-29(34)10-8-20(30-27(33)19-3-1-2-17-9-13-36-25(17)19)26-28(29,23(18)24(21)35-26)11-12-31(22)15-16-4-5-16;/h1-3,6-7,9,13,16,20,22,26,32,34H,4-5,8,10-12,14-15H2,(H,30,33);1H/t20-,22+,26-,28-,29+;/m0./s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70	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))	BDBM50506215 (CHEMBL4589984) Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2ccsc12)ccc3O |r,THB:11:10:18:7.6.5| Show InChI InChI=1S/C29H30N2O4S.ClH/c32-21-7-6-18-14-22-29(34)10-8-20(30-27(33)19-3-1-2-17-9-13-36-25(17)19)26-28(29,23(18)24(21)35-26)11-12-31(22)15-16-4-5-16;/h1-3,6-7,9,13,16,20,22,26,32,34H,4-5,8,10-12,14-15H2,(H,30,33);1H/t20-,22+,26-,28-,29+;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.40	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)	BDBM50506215 (CHEMBL4589984) Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2ccsc12)ccc3O |r,THB:11:10:18:7.6.5| Show InChI InChI=1S/C29H30N2O4S.ClH/c32-21-7-6-18-14-22-29(34)10-8-20(30-27(33)19-3-1-2-17-9-13-36-25(17)19)26-28(29,23(18)24(21)35-26)11-12-31(22)15-16-4-5-16;/h1-3,6-7,9,13,16,20,22,26,32,34H,4-5,8,10-12,14-15H2,(H,30,33);1H/t20-,22+,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	6.20	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
Opioid receptors; mu and delta (MOUSE)	BDBM50506215 (CHEMBL4589984) Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2ccsc12)ccc3O |r,THB:11:10:18:7.6.5| Show InChI InChI=1S/C29H30N2O4S.ClH/c32-21-7-6-18-14-22-29(34)10-8-20(30-27(33)19-3-1-2-17-9-13-36-25(17)19)26-28(29,23(18)24(21)35-26)11-12-31(22)15-16-4-5-16;/h1-3,6-7,9,13,16,20,22,26,32,34H,4-5,8,10-12,14-15H2,(H,30,33);1H/t20-,22+,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	566	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Antagonist activity at mouse mu opioid receptor expressed in CHO cells cotransfected with Galphaqi5 assessed as inhibition of DAMGO-induced increase ...				J Med Chem 62: 11399-11415 (2019) Article DOI: 10.1021/acs.jmedchem.9b01767
					More data for this Ligand-Target Pair