BDBM50105492 3-[5-hydroxy-(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl]-1-(2-thienyl)-1-propanone::CHEMBL327885::MCL-114

SMILES: Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CCC(=O)c2cccs2)c1

InChI Key: InChIKey=KQYOUOIJGNIBFU-RCCQNZRSSA-N

Data: 3 KI

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 3 hits for monomerid = 50105492   

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 (GUINEA PIG)	BDBM50105492 (3-[5-hydroxy-(1R,9R,10R)-17-azatetracyclo[7.5.3.01...) Show SMILES Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CCC(=O)c2cccs2)c1 |THB:17:16:8:4.5.6| Show InChI InChI=1S/C23H27NO2S/c25-17-6-7-18-16(14-17)15-20-19-4-1-2-9-23(18,19)10-12-24(20)11-8-21(26)22-5-3-13-27-22/h3,5-7,13-14,19-20,25H,1-2,4,8-12,15H2/t19-,20+,23?/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Binding affinity towards Opioid receptor mu 1 in guinea pig brain membranes using [3H]DAMGO as radioligand				Bioorg Med Chem Lett 11: 2735-40 (2001) BindingDB Entry DOI: 10.7270/Q25T3M01
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50105492 (3-[5-hydroxy-(1R,9R,10R)-17-azatetracyclo[7.5.3.01...) Show SMILES Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CCC(=O)c2cccs2)c1 |THB:17:16:8:4.5.6| Show InChI InChI=1S/C23H27NO2S/c25-17-6-7-18-16(14-17)15-20-19-4-1-2-9-23(18,19)10-12-24(20)11-8-21(26)22-5-3-13-27-22/h3,5-7,13-14,19-20,25H,1-2,4,8-12,15H2/t19-,20+,23?/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Binding affinity towards guinea pig Opioid receptor kappa 1 using radioligand [3H]U-69593				Bioorg Med Chem Lett 11: 2735-40 (2001) BindingDB Entry DOI: 10.7270/Q25T3M01
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50105492 (3-[5-hydroxy-(1R,9R,10R)-17-azatetracyclo[7.5.3.01...) Show SMILES Oc1ccc2c(C[C@@H]3[C@@H]4CCCCC24CCN3CCC(=O)c2cccs2)c1 |THB:17:16:8:4.5.6| Show InChI InChI=1S/C23H27NO2S/c25-17-6-7-18-16(14-17)15-20-19-4-1-2-9-23(18,19)10-12-24(20)11-8-21(26)22-5-3-13-27-22/h3,5-7,13-14,19-20,25H,1-2,4,8-12,15H2/t19-,20+,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Binding affinity towards Opioid receptor delta 1 in guinea pig brain membranes using [3H]naltrindole as radioligand				Bioorg Med Chem Lett 11: 2735-40 (2001) BindingDB Entry DOI: 10.7270/Q25T3M01
					More data for this Ligand-Target Pair