BDBM50369453 CHEMBL127814

SMILES: COc1ccc(C[C@H]2CN3[C@@H](C)CN=C3N2C(C)C23CC4CC(CC(C4)C2)C3)cc1

InChI Key: InChIKey=LSRPJNTWHNCYBF-NGQJCHFRSA-N

Data: 2 IC50

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 2 hits for monomerid = 50369453   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50369453 (CHEMBL127814) Show SMILES COc1ccc(C[C@H]2CN3[C@@H](C)CN=C3N2C(C)C23CC4CC(CC(C4)C2)C3)cc1 |c:13,TLB:21:22:26:19.20.25,THB:21:20:26:27.22.23,23:22:19:26.24.25,23:24:19:27.22.21| Show InChI InChI=1S/C26H37N3O/c1-17-15-27-25-28(17)16-23(11-19-4-6-24(30-3)7-5-19)29(25)18(2)26-12-20-8-21(13-26)10-22(9-20)14-26/h4-7,17-18,20-23H,8-16H2,1-3H3/t17-,18?,20?,21?,22?,23-,26?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Torrey Pines Institute for Molecular Studies Curated by ChEMBL					Assay Description Inhibition of Opioid receptor kappa 1 binding				J Med Chem 42: 3743-78 (1999) BindingDB Entry DOI: 10.7270/Q22Z167W
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50369453 (CHEMBL127814) Show SMILES COc1ccc(C[C@H]2CN3[C@@H](C)CN=C3N2C(C)C23CC4CC(CC(C4)C2)C3)cc1 |c:13,TLB:21:22:26:19.20.25,THB:21:20:26:27.22.23,23:22:19:26.24.25,23:24:19:27.22.21| Show InChI InChI=1S/C26H37N3O/c1-17-15-27-25-28(17)16-23(11-19-4-6-24(30-3)7-5-19)29(25)18(2)26-12-20-8-21(13-26)10-22(9-20)14-26/h4-7,17-18,20-23H,8-16H2,1-3H3/t17-,18?,20?,21?,22?,23-,26?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Torrey Pines Institute for Molecular Studies Curated by ChEMBL					Assay Description Inhibitory activity for kappa opioid receptor				J Med Chem 42: 3743-78 (1999) BindingDB Entry DOI: 10.7270/Q22Z167W
					More data for this Ligand-Target Pair