BDBM50118177 CHEMBL3613171

SMILES: Cl.[H][C@]12CC[C@]3([H])N(CC4CC4)CC[C@@]4(C[C@H]1N(C)C(=O)\C=C\c1ccoc1)c1cc(O)ccc1C[C@@]34C2

InChI Key: InChIKey=JXWCMWQRMRFPLA-PYRSVMMESA-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 = 50118177   

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
Delta-type opioid receptor (MOUSE)	BDBM50118177 (CHEMBL3613171) Show SMILES Cl.[H][C@]12CC[C@]3([H])N(CC4CC4)CC[C@@]4(C[C@H]1N(C)C(=O)\C=C\c1ccoc1)c1cc(O)ccc1C[C@@]34C2 |r| Show InChI InChI=1S/C30H36N2O3.ClH/c1-31(28(34)9-4-21-10-13-35-19-21)26-17-29-11-12-32(18-20-2-3-20)27-8-6-23(26)16-30(27,29)15-22-5-7-24(33)14-25(22)29;/h4-5,7,9-10,13-14,19-20,23,26-27,33H,2-3,6,8,11-12,15-18H2,1H3;1H/b9-4+;/t23-,26-,27+,29-,30-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.182	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tsukuba Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from DOR in mouse whole brain membranes without cerebellum				Bioorg Med Chem 23: 6271-9 (2015) BindingDB Entry DOI: 10.7270/Q2V126M1
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50118177 (CHEMBL3613171) Show SMILES Cl.[H][C@]12CC[C@]3([H])N(CC4CC4)CC[C@@]4(C[C@H]1N(C)C(=O)\C=C\c1ccoc1)c1cc(O)ccc1C[C@@]34C2 |r| Show InChI InChI=1S/C30H36N2O3.ClH/c1-31(28(34)9-4-21-10-13-35-19-21)26-17-29-11-12-32(18-20-2-3-20)27-8-6-23(26)16-30(27,29)15-22-5-7-24(33)14-25(22)29;/h4-5,7,9-10,13-14,19-20,23,26-27,33H,2-3,6,8,11-12,15-18H2,1H3;1H/b9-4+;/t23-,26-,27+,29-,30-;/m1./s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.204	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tsukuba Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from KOR in mouse whole brain membranes without cerebellum				Bioorg Med Chem 23: 6271-9 (2015) BindingDB Entry DOI: 10.7270/Q2V126M1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50118177 (CHEMBL3613171) Show SMILES Cl.[H][C@]12CC[C@]3([H])N(CC4CC4)CC[C@@]4(C[C@H]1N(C)C(=O)\C=C\c1ccoc1)c1cc(O)ccc1C[C@@]34C2 |r| Show InChI InChI=1S/C30H36N2O3.ClH/c1-31(28(34)9-4-21-10-13-35-19-21)26-17-29-11-12-32(18-20-2-3-20)27-8-6-23(26)16-30(27,29)15-22-5-7-24(33)14-25(22)29;/h4-5,7,9-10,13-14,19-20,23,26-27,33H,2-3,6,8,11-12,15-18H2,1H3;1H/b9-4+;/t23-,26-,27+,29-,30-;/m1./s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.232	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tsukuba Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in guinea pig cerebellum membranes				Bioorg Med Chem 23: 6271-9 (2015) BindingDB Entry DOI: 10.7270/Q2V126M1
					More data for this Ligand-Target Pair