BDBM50377016 CHEMBL402820

SMILES: COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(cc1OC)S(=O)(=O)N1CCCC1

InChI Key: InChIKey=UVLQHEVXPSMZAK-HSZRJFAPSA-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 = 50377016   

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))	BDBM50377016 (CHEMBL402820) Show SMILES COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(cc1OC)S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C27H37N3O5S/c1-28(23(20-29-13-7-8-14-29)21-11-5-4-6-12-21)27(31)18-22-17-24(34-2)25(35-3)19-26(22)36(32,33)30-15-9-10-16-30/h4-6,11-12,17,19,23H,7-10,13-16,18,20H2,1-3H3/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50377016 (CHEMBL402820) Show SMILES COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(cc1OC)S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C27H37N3O5S/c1-28(23(20-29-13-7-8-14-29)21-11-5-4-6-12-21)27(31)18-22-17-24(34-2)25(35-3)19-26(22)36(32,33)30-15-9-10-16-30/h4-6,11-12,17,19,23H,7-10,13-16,18,20H2,1-3H3/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50377016 (CHEMBL402820) Show SMILES COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(cc1OC)S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C27H37N3O5S/c1-28(23(20-29-13-7-8-14-29)21-11-5-4-6-12-21)27(31)18-22-17-24(34-2)25(35-3)19-26(22)36(32,33)30-15-9-10-16-30/h4-6,11-12,17,19,23H,7-10,13-16,18,20H2,1-3H3/t23-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50377016 (CHEMBL402820) Show SMILES COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(cc1OC)S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C27H37N3O5S/c1-28(23(20-29-13-7-8-14-29)21-11-5-4-6-12-21)27(31)18-22-17-24(34-2)25(35-3)19-26(22)36(32,33)30-15-9-10-16-30/h4-6,11-12,17,19,23H,7-10,13-16,18,20H2,1-3H3/t23-/m1/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	0.110	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor transfected in CHO cells by [35S]GTP-gamma-S binding assay				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair