null

SMILES: Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(cc2c1C[C@@]35O)C(=O)NCCCCc1ccccc1

InChI Key: InChIKey=NFINVMQZKQTXKJ-WSJFZLEHSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50122867   

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))	BDBM50122867 (7N-(4-phenylbutyl)-22-cyclopropylmethyl-2,16-dihyd...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(cc2c1C[C@@]35O)C(=O)NCCCCc1ccccc1 |TLB:17:18:29:7.13.12,3:4:29:7.13.12| Show InChI InChI=1S/C37H39N3O4/c41-29-14-12-24-19-30-37(43)20-27-26-18-25(35(42)38-16-5-4-8-22-6-2-1-3-7-22)11-13-28(26)39-32(27)34-36(37,31(24)33(29)44-34)15-17-40(30)21-23-9-10-23/h1-3,6-7,11-14,18,23,30,34,39,41,43H,4-5,8-10,15-17,19-21H2,(H,38,42)/t30?,34-,36-,37+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells				J Med Chem 46: 314-7 (2003) Article DOI: 10.1021/jm020997b BindingDB Entry DOI: 10.7270/Q2PK0GW4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50122867 (7N-(4-phenylbutyl)-22-cyclopropylmethyl-2,16-dihyd...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(cc2c1C[C@@]35O)C(=O)NCCCCc1ccccc1 |TLB:17:18:29:7.13.12,3:4:29:7.13.12| Show InChI InChI=1S/C37H39N3O4/c41-29-14-12-24-19-30-37(43)20-27-26-18-25(35(42)38-16-5-4-8-22-6-2-1-3-7-22)11-13-28(26)39-32(27)34-36(37,31(24)33(29)44-34)15-17-40(30)21-23-9-10-23/h1-3,6-7,11-14,18,23,30,34,39,41,43H,4-5,8-10,15-17,19-21H2,(H,38,42)/t30?,34-,36-,37+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Ability to displace [3H]DAMGO from human recombinant Opioid receptor mu 1 in CHO cells				J Med Chem 46: 314-7 (2003) Article DOI: 10.1021/jm020997b BindingDB Entry DOI: 10.7270/Q2PK0GW4
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50122867 (7N-(4-phenylbutyl)-22-cyclopropylmethyl-2,16-dihyd...) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(cc2c1C[C@@]35O)C(=O)NCCCCc1ccccc1 |TLB:17:18:29:7.13.12,3:4:29:7.13.12| Show InChI InChI=1S/C37H39N3O4/c41-29-14-12-24-19-30-37(43)20-27-26-18-25(35(42)38-16-5-4-8-22-6-2-1-3-7-22)11-13-28(26)39-32(27)34-36(37,31(24)33(29)44-34)15-17-40(30)21-23-9-10-23/h1-3,6-7,11-14,18,23,30,34,39,41,43H,4-5,8-10,15-17,19-21H2,(H,38,42)/t30?,34-,36-,37+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Ability to displace [3H]DPDPE from human recombinant Opioid receptor delta 1 in CHO cells				J Med Chem 46: 314-7 (2003) Article DOI: 10.1021/jm020997b BindingDB Entry DOI: 10.7270/Q2PK0GW4
					More data for this Ligand-Target Pair