BDBM50369821 CHEMBL1169585

SMILES: CCC[C@@](C)(O)[C@@H]1CC23C=C[C@]1(OC)[C@H]1Oc4c5c(CC2N(C)CCC315)ccc4O

InChI Key: InChIKey=CAHCBJPUTCKATP-QQAQEGDCSA-N

Data: 3 KI  3 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 6 hits for monomerid = 50369821   

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))	BDBM50369821 (CHEMBL1169585) Show SMILES CCC[C@@](C)(O)[C@@H]1CC23C=C[C@]1(OC)[C@H]1Oc4c5c(CC2N(C)CCC315)ccc4O |r,c:9,TLB:16:17:8:21.23.24,3:6:25.14:10.9,24:25:7.6:10.9,22:21:17.18.19:8,THB:17:25:7.6:10.9,7:8:17.18.19:21.23.24,9:8:17.18.19:21.23.24,15:14:7.6:10.9| Show InChI InChI=1S/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3/t17-,18?,21-,22+,23?,24?,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor delta 1 in guinea pig brain membranes using [3H]Cl-DPDPE				J Med Chem 43: 1852-7 (2000) BindingDB Entry DOI: 10.7270/Q2J67HN1
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50369821 (CHEMBL1169585) Show SMILES CCC[C@@](C)(O)[C@@H]1CC23C=C[C@]1(OC)[C@H]1Oc4c5c(CC2N(C)CCC315)ccc4O |r,c:9,TLB:16:17:8:21.23.24,3:6:25.14:10.9,24:25:7.6:10.9,22:21:17.18.19:8,THB:17:25:7.6:10.9,7:8:17.18.19:21.23.24,9:8:17.18.19:21.23.24,15:14:7.6:10.9| Show InChI InChI=1S/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3/t17-,18?,21-,22+,23?,24?,25+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 in guinea pig brain membranes using [3H]U-69593				J Med Chem 43: 1852-7 (2000) BindingDB Entry DOI: 10.7270/Q2J67HN1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50369821 (CHEMBL1169585) Show SMILES CCC[C@@](C)(O)[C@@H]1CC23C=C[C@]1(OC)[C@H]1Oc4c5c(CC2N(C)CCC315)ccc4O |r,c:9,TLB:16:17:8:21.23.24,3:6:25.14:10.9,24:25:7.6:10.9,22:21:17.18.19:8,THB:17:25:7.6:10.9,7:8:17.18.19:21.23.24,9:8:17.18.19:21.23.24,15:14:7.6:10.9| Show InChI InChI=1S/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3/t17-,18?,21-,22+,23?,24?,25+/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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 Bristol Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor mu 1 in guinea pig brain membranes using [3H]DAMGO				J Med Chem 43: 1852-7 (2000) BindingDB Entry DOI: 10.7270/Q2J67HN1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50369821 (CHEMBL1169585) Show SMILES CCC[C@@](C)(O)[C@@H]1CC23C=C[C@]1(OC)[C@H]1Oc4c5c(CC2N(C)CCC315)ccc4O |r,c:9,TLB:16:17:8:21.23.24,3:6:25.14:10.9,24:25:7.6:10.9,22:21:17.18.19:8,THB:17:25:7.6:10.9,7:8:17.18.19:21.23.24,9:8:17.18.19:21.23.24,15:14:7.6:10.9| Show InChI InChI=1S/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3/t17-,18?,21-,22+,23?,24?,25+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	0.660	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description EC50 for binding of [35S]- GTPdeltaS in cloned human oOpioid receptor mu 1 (DAMGO) transfected onto CHO cells				J Med Chem 43: 1852-7 (2000) BindingDB Entry DOI: 10.7270/Q2J67HN1
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50369821 (CHEMBL1169585) Show SMILES CCC[C@@](C)(O)[C@@H]1CC23C=C[C@]1(OC)[C@H]1Oc4c5c(CC2N(C)CCC315)ccc4O |r,c:9,TLB:16:17:8:21.23.24,3:6:25.14:10.9,24:25:7.6:10.9,22:21:17.18.19:8,THB:17:25:7.6:10.9,7:8:17.18.19:21.23.24,9:8:17.18.19:21.23.24,15:14:7.6:10.9| Show InChI InChI=1S/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3/t17-,18?,21-,22+,23?,24?,25+/m0/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	n/a	n/a	1.5	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description EC50 for binding of [35S]- GTPdeltaS in cloned human Opioid receptor delta 1 (Cl-DPDPE) transfected onto CHO cells				J Med Chem 43: 1852-7 (2000) BindingDB Entry DOI: 10.7270/Q2J67HN1
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50369821 (CHEMBL1169585) Show SMILES CCC[C@@](C)(O)[C@@H]1CC23C=C[C@]1(OC)[C@H]1Oc4c5c(CC2N(C)CCC315)ccc4O |r,c:9,TLB:16:17:8:21.23.24,3:6:25.14:10.9,24:25:7.6:10.9,22:21:17.18.19:8,THB:17:25:7.6:10.9,7:8:17.18.19:21.23.24,9:8:17.18.19:21.23.24,15:14:7.6:10.9| Show InChI InChI=1S/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3/t17-,18?,21-,22+,23?,24?,25+/m0/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	n/a	n/a	2	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description EC50 for binding of [35S]- GTPdeltaS in cloned human Opioid receptor kappa 1 (U-69,593) transfected onto CHO cells				J Med Chem 43: 1852-7 (2000) BindingDB Entry DOI: 10.7270/Q2J67HN1
					More data for this Ligand-Target Pair