null

SMILES: Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCc1ccc(CN=C=S)cc1

InChI Key: InChIKey=QYVRXDNHVNNEIV-ILORQFCNSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50036248   

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))	BDBM50036248 (4-cyclopropylmethyl-14-(4-isothiocyanatomethylbenz...) Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCc1ccc(CN=C=S)cc1 |TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,8:7:22:18.4.5| Show InChI InChI=1S/C29H32N2O4S/c32-22-8-7-21-13-24-29(33)10-9-23(34-16-20-5-1-18(2-6-20)14-30-17-36)27-28(29,25(21)26(22)35-27)11-12-31(24)15-19-3-4-19/h1-2,5-8,19,23-24,27,32-33H,3-4,9-16H2/t23-,24?,27+,28?,29-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibitory concentration against Opioid receptor kappa 1 using [3H]- U-69,593 radioligand				J Med Chem 38: 570-9 (1995) BindingDB Entry DOI: 10.7270/Q2XW4KFB
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50036248 (4-cyclopropylmethyl-14-(4-isothiocyanatomethylbenz...) Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCc1ccc(CN=C=S)cc1 |TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,8:7:22:18.4.5| Show InChI InChI=1S/C29H32N2O4S/c32-22-8-7-21-13-24-29(33)10-9-23(34-16-20-5-1-18(2-6-20)14-30-17-36)27-28(29,25(21)26(22)35-27)11-12-31(24)15-19-3-4-19/h1-2,5-8,19,23-24,27,32-33H,3-4,9-16H2/t23-,24?,27+,28?,29-/m1/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibitory concentration was determined against Opioid receptor mu 1 using [3H]- DAMGO radioligand				J Med Chem 38: 570-9 (1995) BindingDB Entry DOI: 10.7270/Q2XW4KFB
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50036248 (4-cyclopropylmethyl-14-(4-isothiocyanatomethylbenz...) Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OCc1ccc(CN=C=S)cc1 |TLB:23:22:18.4.5:7.13.12,THB:17:18:22:7.13.12,8:7:22:18.4.5| Show InChI InChI=1S/C29H32N2O4S/c32-22-8-7-21-13-24-29(33)10-9-23(34-16-20-5-1-18(2-6-20)14-30-17-36)27-28(29,25(21)26(22)35-27)11-12-31(24)15-19-3-4-19/h1-2,5-8,19,23-24,27,32-33H,3-4,9-16H2/t23-,24?,27+,28?,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibitory concentration was determined against delta-opioid receptor using [3H]- DPDPE radioligand				J Med Chem 38: 570-9 (1995) BindingDB Entry DOI: 10.7270/Q2XW4KFB
					More data for this Ligand-Target Pair