Compile Data Set for Download or QSAR

Found 8 hits of ki for monomerid = 50040484   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50040484 (14-anilino-4-cyclopropylmethyl-(13R,14R,17S)-12-ox...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)Nc1ccccc1 |TLB:17:18:22:7.13.12,3:4:22:7.13.12| Show InChI InChI=1S/C26H30N2O3/c29-20-9-8-17-14-21-26(30)11-10-19(27-18-4-2-1-3-5-18)24-25(26,22(17)23(20)31-24)12-13-28(21)15-16-6-7-16/h1-5,8-9,16,19,21,24,27,29-30H,6-7,10-15H2/t19-,21?,24+,25+,26-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Tested for binding activity against mu opioid receptor using [3H]DAMGO ligand				J Med Chem 37: 579-85 (1994) BindingDB Entry DOI: 10.7270/Q2CF9QRG
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50040484 (14-anilino-4-cyclopropylmethyl-(13R,14R,17S)-12-ox...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)Nc1ccccc1 |TLB:17:18:22:7.13.12,3:4:22:7.13.12| Show InChI InChI=1S/C26H30N2O3/c29-20-9-8-17-14-21-26(30)11-10-19(27-18-4-2-1-3-5-18)24-25(26,22(17)23(20)31-24)12-13-28(21)15-16-6-7-16/h1-5,8-9,16,19,21,24,27,29-30H,6-7,10-15H2/t19-,21?,24+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Tested for binding activity against Opioid receptor delta 1 using [3H]DPDPE ligand				J Med Chem 37: 579-85 (1994) BindingDB Entry DOI: 10.7270/Q2CF9QRG
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50040484 (14-anilino-4-cyclopropylmethyl-(13R,14R,17S)-12-ox...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)Nc1ccccc1 |TLB:17:18:22:7.13.12,3:4:22:7.13.12| Show InChI InChI=1S/C26H30N2O3/c29-20-9-8-17-14-21-26(30)11-10-19(27-18-4-2-1-3-5-18)24-25(26,22(17)23(20)31-24)12-13-28(21)15-16-6-7-16/h1-5,8-9,16,19,21,24,27,29-30H,6-7,10-15H2/t19-,21?,24+,25+,26-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Tested for binding activity against mu opioid receptor using [3H]DAMGO ligand				J Med Chem 37: 579-85 (1994) BindingDB Entry DOI: 10.7270/Q2CF9QRG
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50040484 (14-anilino-4-cyclopropylmethyl-(13R,14R,17S)-12-ox...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)Nc1ccccc1 |TLB:17:18:22:7.13.12,3:4:22:7.13.12| Show InChI InChI=1S/C26H30N2O3/c29-20-9-8-17-14-21-26(30)11-10-19(27-18-4-2-1-3-5-18)24-25(26,22(17)23(20)31-24)12-13-28(21)15-16-6-7-16/h1-5,8-9,16,19,21,24,27,29-30H,6-7,10-15H2/t19-,21?,24+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Tested for binding activity against Opioid receptor delta 2 using [3H]DSLET ligand				J Med Chem 37: 579-85 (1994) BindingDB Entry DOI: 10.7270/Q2CF9QRG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50040484 (14-anilino-4-cyclopropylmethyl-(13R,14R,17S)-12-ox...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)Nc1ccccc1 |TLB:17:18:22:7.13.12,3:4:22:7.13.12| Show InChI InChI=1S/C26H30N2O3/c29-20-9-8-17-14-21-26(30)11-10-19(27-18-4-2-1-3-5-18)24-25(26,22(17)23(20)31-24)12-13-28(21)15-16-6-7-16/h1-5,8-9,16,19,21,24,27,29-30H,6-7,10-15H2/t19-,21?,24+,25+,26-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Tested for binding activity against kappa opioid receptor using [3H]U-69593 ligand				J Med Chem 37: 579-85 (1994) BindingDB Entry DOI: 10.7270/Q2CF9QRG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50040484 (14-anilino-4-cyclopropylmethyl-(13R,14R,17S)-12-ox...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)Nc1ccccc1 |TLB:17:18:22:7.13.12,3:4:22:7.13.12| Show InChI InChI=1S/C26H30N2O3/c29-20-9-8-17-14-21-26(30)11-10-19(27-18-4-2-1-3-5-18)24-25(26,22(17)23(20)31-24)12-13-28(21)15-16-6-7-16/h1-5,8-9,16,19,21,24,27,29-30H,6-7,10-15H2/t19-,21?,24+,25+,26-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Tested for binding activity against kappa opioid receptor using [3H]U-69593 ligand				J Med Chem 37: 579-85 (1994) BindingDB Entry DOI: 10.7270/Q2CF9QRG
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50040484 (14-anilino-4-cyclopropylmethyl-(13R,14R,17S)-12-ox...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)Nc1ccccc1 |TLB:17:18:22:7.13.12,3:4:22:7.13.12| Show InChI InChI=1S/C26H30N2O3/c29-20-9-8-17-14-21-26(30)11-10-19(27-18-4-2-1-3-5-18)24-25(26,22(17)23(20)31-24)12-13-28(21)15-16-6-7-16/h1-5,8-9,16,19,21,24,27,29-30H,6-7,10-15H2/t19-,21?,24+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Tested for binding activity against Opioid receptor delta 1 using [3H]DPDPE ligand				J Med Chem 37: 579-85 (1994) BindingDB Entry DOI: 10.7270/Q2CF9QRG
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50040484 (14-anilino-4-cyclopropylmethyl-(13R,14R,17S)-12-ox...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)Nc1ccccc1 |TLB:17:18:22:7.13.12,3:4:22:7.13.12| Show InChI InChI=1S/C26H30N2O3/c29-20-9-8-17-14-21-26(30)11-10-19(27-18-4-2-1-3-5-18)24-25(26,22(17)23(20)31-24)12-13-28(21)15-16-6-7-16/h1-5,8-9,16,19,21,24,27,29-30H,6-7,10-15H2/t19-,21?,24+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Tested for binding activity against Opioid receptor delta 2 using [3H]DSLET ligand				J Med Chem 37: 579-85 (1994) BindingDB Entry DOI: 10.7270/Q2CF9QRG
					More data for this Ligand-Target Pair