BDBM50374642 CHEMBL402074

SMILES: COC(=O)[C@@H]1C[C@H](OCOCC[Si](C)(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1

InChI Key: InChIKey=GBROUOPQHPBRHI-DJGQEPPCSA-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 = 50374642   

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))	BDBM50374642 (CHEMBL402074) Show SMILES COC(=O)[C@@H]1C[C@H](OCOCC[Si](C)(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C27H40O8Si/c1-26-9-7-18-25(30)35-21(17-8-10-32-15-17)14-27(18,2)23(26)22(28)20(13-19(26)24(29)31-3)34-16-33-11-12-36(4,5)6/h8,10,15,18-21,23H,7,9,11-14,16H2,1-6H3/t18-,19-,20-,21-,23-,26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells				Bioorg Med Chem 16: 1279-86 (2008) Article DOI: 10.1016/j.bmc.2007.10.067 BindingDB Entry DOI: 10.7270/Q2ZK5HJF
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50374642 (CHEMBL402074) Show SMILES COC(=O)[C@@H]1C[C@H](OCOCC[Si](C)(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C27H40O8Si/c1-26-9-7-18-25(30)35-21(17-8-10-32-15-17)14-27(18,2)23(26)22(28)20(13-19(26)24(29)31-3)34-16-33-11-12-36(4,5)6/h8,10,15,18-21,23H,7,9,11-14,16H2,1-6H3/t18-,19-,20-,21-,23-,26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from mouse delta opioid receptor expressed in CHO cells				Bioorg Med Chem 16: 1279-86 (2008) Article DOI: 10.1016/j.bmc.2007.10.067 BindingDB Entry DOI: 10.7270/Q2ZK5HJF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50374642 (CHEMBL402074) Show SMILES COC(=O)[C@@H]1C[C@H](OCOCC[Si](C)(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C27H40O8Si/c1-26-9-7-18-25(30)35-21(17-8-10-32-15-17)14-27(18,2)23(26)22(28)20(13-19(26)24(29)31-3)34-16-33-11-12-36(4,5)6/h8,10,15,18-21,23H,7,9,11-14,16H2,1-6H3/t18-,19-,20-,21-,23-,26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cells				Bioorg Med Chem 16: 1279-86 (2008) Article DOI: 10.1016/j.bmc.2007.10.067 BindingDB Entry DOI: 10.7270/Q2ZK5HJF
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50374642 (CHEMBL402074) Show SMILES COC(=O)[C@@H]1C[C@H](OCOCC[Si](C)(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C27H40O8Si/c1-26-9-7-18-25(30)35-21(17-8-10-32-15-17)14-27(18,2)23(26)22(28)20(13-19(26)24(29)31-3)34-16-33-11-12-36(4,5)6/h8,10,15,18-21,23H,7,9,11-14,16H2,1-6H3/t18-,19-,20-,21-,23-,26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.66E+3	n/a	n/a	n/a	n/a
McLean Hospital Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding				Bioorg Med Chem 16: 1279-86 (2008) Article DOI: 10.1016/j.bmc.2007.10.067 BindingDB Entry DOI: 10.7270/Q2ZK5HJF
					More data for this Ligand-Target Pair