BDBM50545480 CHEMBL4636799

SMILES: [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)C(=O)CCc1ccccc1)ccc3O

InChI Key: InChIKey=KMYDIUHNPJAHHN-CTZUUEIXSA-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 = 50545480   

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 (Homo sapiens (Human))	BDBM50545480 (CHEMBL4636799) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)C(=O)CCc1ccccc1)ccc3O |r,THB:25:9:4.5.6:13| Show InChI InChI=1S/C31H28N2O4/c34-23-12-11-19-16-24-31(36)17-21-20-8-4-5-9-22(20)32-27(21)29-30(31,26(19)28(23)37-29)14-15-33(24)25(35)13-10-18-6-2-1-3-7-18/h1-9,11-12,24,29,32,34,36H,10,13-17H2/t24-,29+,30+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	89	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 human delta opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50545480 (CHEMBL4636799) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)C(=O)CCc1ccccc1)ccc3O |r,THB:25:9:4.5.6:13| Show InChI InChI=1S/C31H28N2O4/c34-23-12-11-19-16-24-31(36)17-21-20-8-4-5-9-22(20)32-27(21)29-30(31,26(19)28(23)37-29)14-15-33(24)25(35)13-10-18-6-2-1-3-7-18/h1-9,11-12,24,29,32,34,36H,10,13-17H2/t24-,29+,30+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	2.15E+3	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 human kappa opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50545480 (CHEMBL4636799) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)C(=O)CCc1ccccc1)ccc3O |r,THB:25:9:4.5.6:13| Show InChI InChI=1S/C31H28N2O4/c34-23-12-11-19-16-24-31(36)17-21-20-8-4-5-9-22(20)32-27(21)29-30(31,26(19)28(23)37-29)14-15-33(24)25(35)13-10-18-6-2-1-3-7-18/h1-9,11-12,24,29,32,34,36H,10,13-17H2/t24-,29+,30+,31-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	3.48E+3	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 human mu opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50545480 (CHEMBL4636799) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)C(=O)CCc1ccccc1)ccc3O |r,THB:25:9:4.5.6:13| Show InChI InChI=1S/C31H28N2O4/c34-23-12-11-19-16-24-31(36)17-21-20-8-4-5-9-22(20)32-27(21)29-30(31,26(19)28(23)37-29)14-15-33(24)25(35)13-10-18-6-2-1-3-7-18/h1-9,11-12,24,29,32,34,36H,10,13-17H2/t24-,29+,30+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	127	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Agonist activity at human delta opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair