BDBM50506230 CHEMBL4471389

SMILES: Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2cc[nH]c12)ccc3O

InChI Key: InChIKey=JKTZYEZYGYEPJJ-KKIGFEGMSA-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 = 50506230   

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)	BDBM50506230 (CHEMBL4471389) Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2cc[nH]c12)ccc3O |r,THB:11:10:18:7.6.5| Show InChI InChI=1S/C29H31N3O4.ClH/c33-21-7-6-18-14-22-29(35)10-8-20(31-27(34)19-3-1-2-17-9-12-30-24(17)19)26-28(29,23(18)25(21)36-26)11-13-32(22)15-16-4-5-16;/h1-3,6-7,9,12,16,20,22,26,30,33,35H,4-5,8,10-11,13-15H2,(H,31,34);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	0.230	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))	BDBM50506230 (CHEMBL4471389) Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2cc[nH]c12)ccc3O |r,THB:11:10:18:7.6.5| Show InChI InChI=1S/C29H31N3O4.ClH/c33-21-7-6-18-14-22-29(35)10-8-20(31-27(34)19-3-1-2-17-9-12-30-24(17)19)26-28(29,23(18)25(21)36-26)11-13-32(22)15-16-4-5-16;/h1-3,6-7,9,12,16,20,22,26,30,33,35H,4-5,8,10-11,13-15H2,(H,31,34);1H/t20-,22+,26-,28-,29+;/m0./s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	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]-diprenorphine from mouse kappa opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding a...				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)	BDBM50506230 (CHEMBL4471389) Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2cc[nH]c12)ccc3O |r,THB:11:10:18:7.6.5| Show InChI InChI=1S/C29H31N3O4.ClH/c33-21-7-6-18-14-22-29(35)10-8-20(31-27(34)19-3-1-2-17-9-12-30-24(17)19)26-28(29,23(18)25(21)36-26)11-13-32(22)15-16-4-5-16;/h1-3,6-7,9,12,16,20,22,26,30,33,35H,4-5,8,10-11,13-15H2,(H,31,34);1H/t20-,22+,26-,28-,29+;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	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]-diprenorphine from mouse delta opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding a...				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)	BDBM50506230 (CHEMBL4471389) Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2NC(=O)c1cccc2cc[nH]c12)ccc3O |r,THB:11:10:18:7.6.5| Show InChI InChI=1S/C29H31N3O4.ClH/c33-21-7-6-18-14-22-29(35)10-8-20(31-27(34)19-3-1-2-17-9-12-30-24(17)19)26-28(29,23(18)25(21)36-26)11-13-32(22)15-16-4-5-16;/h1-3,6-7,9,12,16,20,22,26,30,33,35H,4-5,8,10-11,13-15H2,(H,31,34);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	3.90	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