BDBM50424112 CHEMBL2315361

SMILES: CCN1CC[C@H]2c3c(C[C@@H]1[C@]2(O)CCCN(C)C(=O)\C=C\c1ccoc1)ccc(O)c3O

InChI Key: InChIKey=SAOYHLZQJFKNNK-IFVYDKLZSA-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 = 50424112   

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 (Cavia porcellus (domestic guinea pig))	BDBM50424112 (CHEMBL2315361) Show SMILES CCN1CC[C@H]2c3c(C[C@@H]1[C@]2(O)CCCN(C)C(=O)\C=C\c1ccoc1)ccc(O)c3O |r| Show InChI InChI=1S/C25H32N2O5/c1-3-27-13-9-19-23-18(6-7-20(28)24(23)30)15-21(27)25(19,31)11-4-12-26(2)22(29)8-5-17-10-14-32-16-17/h5-8,10,14,16,19,21,28,30-31H,3-4,9,11-13,15H2,1-2H3/b8-5+/t19-,21+,25-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.625	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum after 1 hr by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 268-72 (2012) Article DOI: 10.1016/j.bmcl.2012.10.100 BindingDB Entry DOI: 10.7270/Q2348MPC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50424112 (CHEMBL2315361) Show SMILES CCN1CC[C@H]2c3c(C[C@@H]1[C@]2(O)CCCN(C)C(=O)\C=C\c1ccoc1)ccc(O)c3O |r| Show InChI InChI=1S/C25H32N2O5/c1-3-27-13-9-19-23-18(6-7-20(28)24(23)30)15-21(27)25(19,31)11-4-12-26(2)22(29)8-5-17-10-14-32-16-17/h5-8,10,14,16,19,21,28,30-31H,3-4,9,11-13,15H2,1-2H3/b8-5+/t19-,21+,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting analy...				Bioorg Med Chem Lett 23: 268-72 (2012) Article DOI: 10.1016/j.bmcl.2012.10.100 BindingDB Entry DOI: 10.7270/Q2348MPC
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50424112 (CHEMBL2315361) Show SMILES CCN1CC[C@H]2c3c(C[C@@H]1[C@]2(O)CCCN(C)C(=O)\C=C\c1ccoc1)ccc(O)c3O |r| Show InChI InChI=1S/C25H32N2O5/c1-3-27-13-9-19-23-18(6-7-20(28)24(23)30)15-21(27)25(19,31)11-4-12-26(2)22(29)8-5-17-10-14-32-16-17/h5-8,10,14,16,19,21,28,30-31H,3-4,9,11-13,15H2,1-2H3/b8-5+/t19-,21+,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	512	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting an...				Bioorg Med Chem Lett 23: 268-72 (2012) Article DOI: 10.1016/j.bmcl.2012.10.100 BindingDB Entry DOI: 10.7270/Q2348MPC
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50424112 (CHEMBL2315361) Show SMILES CCN1CC[C@H]2c3c(C[C@@H]1[C@]2(O)CCCN(C)C(=O)\C=C\c1ccoc1)ccc(O)c3O |r| Show InChI InChI=1S/C25H32N2O5/c1-3-27-13-9-19-23-18(6-7-20(28)24(23)30)15-21(27)25(19,31)11-4-12-26(2)22(29)8-5-17-10-14-32-16-17/h5-8,10,14,16,19,21,28,30-31H,3-4,9,11-13,15H2,1-2H3/b8-5+/t19-,21+,25-/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	3.80	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by [35S]-GTPgammaS binding assay				Bioorg Med Chem Lett 23: 268-72 (2012) Article DOI: 10.1016/j.bmcl.2012.10.100 BindingDB Entry DOI: 10.7270/Q2348MPC
					More data for this Ligand-Target Pair