null

SMILES: Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)c1ccc2ccccc2c1

InChI Key: InChIKey=KUNNDVWENYFGKD-QQZIBPAVSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50266918   

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))	BDBM50266918 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10-hydroxy-1...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C31H29NO5/c33-23-10-9-21-16-25-31(37-29(35)22-8-7-19-3-1-2-4-20(19)15-22)12-11-24(34)28-30(31,26(21)27(23)36-28)13-14-32(25)17-18-5-6-18/h1-4,7-10,15,18,25,28,33H,5-6,11-14,16-17H2/t25-,28+,30+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]norBNI from kappa opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 1825-9 (2009) Article DOI: 10.1016/j.bmcl.2008.12.093 BindingDB Entry DOI: 10.7270/Q2GX4CH2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50266918 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10-hydroxy-1...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C31H29NO5/c33-23-10-9-21-16-25-31(37-29(35)22-8-7-19-3-1-2-4-20(19)15-22)12-11-24(34)28-30(31,26(21)27(23)36-28)13-14-32(25)17-18-5-6-18/h1-4,7-10,15,18,25,28,33H,5-6,11-14,16-17H2/t25-,28+,30+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]DPN from kappa opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrs				J Med Chem 56: 9156-69 (2013) Article DOI: 10.1021/jm4012214 BindingDB Entry DOI: 10.7270/Q2JH3Q4C
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50266918 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10-hydroxy-1...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C31H29NO5/c33-23-10-9-21-16-25-31(37-29(35)22-8-7-19-3-1-2-4-20(19)15-22)12-11-24(34)28-30(31,26(21)27(23)36-28)13-14-32(25)17-18-5-6-18/h1-4,7-10,15,18,25,28,33H,5-6,11-14,16-17H2/t25-,28+,30+,31-/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	225	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]NLX from mu opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrs				J Med Chem 56: 9156-69 (2013) Article DOI: 10.1021/jm4012214 BindingDB Entry DOI: 10.7270/Q2JH3Q4C
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50266918 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10-hydroxy-1...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C31H29NO5/c33-23-10-9-21-16-25-31(37-29(35)22-8-7-19-3-1-2-4-20(19)15-22)12-11-24(34)28-30(31,26(21)27(23)36-28)13-14-32(25)17-18-5-6-18/h1-4,7-10,15,18,25,28,33H,5-6,11-14,16-17H2/t25-,28+,30+,31-/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	225	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 1825-9 (2009) Article DOI: 10.1016/j.bmcl.2008.12.093 BindingDB Entry DOI: 10.7270/Q2GX4CH2
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50266918 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10-hydroxy-1...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C31H29NO5/c33-23-10-9-21-16-25-31(37-29(35)22-8-7-19-3-1-2-4-20(19)15-22)12-11-24(34)28-30(31,26(21)27(23)36-28)13-14-32(25)17-18-5-6-18/h1-4,7-10,15,18,25,28,33H,5-6,11-14,16-17H2/t25-,28+,30+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	907	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]NTI from delta opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrs				J Med Chem 56: 9156-69 (2013) Article DOI: 10.1021/jm4012214 BindingDB Entry DOI: 10.7270/Q2JH3Q4C
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50266918 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10-hydroxy-1...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C31H29NO5/c33-23-10-9-21-16-25-31(37-29(35)22-8-7-19-3-1-2-4-20(19)15-22)12-11-24(34)28-30(31,26(21)27(23)36-28)13-14-32(25)17-18-5-6-18/h1-4,7-10,15,18,25,28,33H,5-6,11-14,16-17H2/t25-,28+,30+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	907	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]NTI from delta opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 1825-9 (2009) Article DOI: 10.1016/j.bmcl.2008.12.093 BindingDB Entry DOI: 10.7270/Q2GX4CH2
					More data for this Ligand-Target Pair