BDBM50193536 N-cyclopropylmethyl-14beta-(2'-methylcinnamoylamino)-7,8-dihydronorcodeinone

SMILES: COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccccc1C

InChI Key: InChIKey=HKFWFMQRXDJWRR-RNGWUSNQSA-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 = 50193536   

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
Mu-type opioid receptor (GUINEA PIG)	BDBM50193536 (N-cyclopropylmethyl-14beta-(2'-methylcinnamoylamin...) Show SMILES COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccccc1C |TLB:4:5:24:8.14.13,18:19:24:8.14.13| Show InChI InChI=1S/C31H34N2O4/c1-19-5-3-4-6-21(19)10-12-26(35)32-31-14-13-23(34)29-30(31)15-16-33(18-20-7-8-20)25(31)17-22-9-11-24(36-2)28(37-29)27(22)30/h3-6,9-12,20,25,29H,7-8,13-18H2,1-2H3,(H,32,35)/b12-10+/t25?,29-,30-,31+/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.200	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 to MOR in guinea pig brain membrane				J Med Chem 49: 5333-8 (2006) Article DOI: 10.1021/jm0604777 BindingDB Entry DOI: 10.7270/Q2WH2QSM
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50193536 (N-cyclopropylmethyl-14beta-(2'-methylcinnamoylamin...) Show SMILES COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccccc1C |TLB:4:5:24:8.14.13,18:19:24:8.14.13| Show InChI InChI=1S/C31H34N2O4/c1-19-5-3-4-6-21(19)10-12-26(35)32-31-14-13-23(34)29-30(31)15-16-33(18-20-7-8-20)25(31)17-22-9-11-24(36-2)28(37-29)27(22)30/h3-6,9-12,20,25,29H,7-8,13-18H2,1-2H3,(H,32,35)/b12-10+/t25?,29-,30-,31+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.10	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 to KOR in guinea pig brain membrane				J Med Chem 49: 5333-8 (2006) Article DOI: 10.1021/jm0604777 BindingDB Entry DOI: 10.7270/Q2WH2QSM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50193536 (N-cyclopropylmethyl-14beta-(2'-methylcinnamoylamin...) Show SMILES COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccccc1C |TLB:4:5:24:8.14.13,18:19:24:8.14.13| Show InChI InChI=1S/C31H34N2O4/c1-19-5-3-4-6-21(19)10-12-26(35)32-31-14-13-23(34)29-30(31)15-16-33(18-20-7-8-20)25(31)17-22-9-11-24(36-2)28(37-29)27(22)30/h3-6,9-12,20,25,29H,7-8,13-18H2,1-2H3,(H,32,35)/b12-10+/t25?,29-,30-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.30	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 to DOR in guinea pig brain membrane				J Med Chem 49: 5333-8 (2006) Article DOI: 10.1021/jm0604777 BindingDB Entry DOI: 10.7270/Q2WH2QSM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50193536 (N-cyclopropylmethyl-14beta-(2'-methylcinnamoylamin...) Show SMILES COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccccc1C |TLB:4:5:24:8.14.13,18:19:24:8.14.13| Show InChI InChI=1S/C31H34N2O4/c1-19-5-3-4-6-21(19)10-12-26(35)32-31-14-13-23(34)29-30(31)15-16-33(18-20-7-8-20)25(31)17-22-9-11-24(36-2)28(37-29)27(22)30/h3-6,9-12,20,25,29H,7-8,13-18H2,1-2H3,(H,32,35)/b12-10+/t25?,29-,30-,31+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.60	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Stimulation of [35S]GTPgammaS binding to human recombinant MOR				J Med Chem 49: 5333-8 (2006) Article DOI: 10.1021/jm0604777 BindingDB Entry DOI: 10.7270/Q2WH2QSM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50193536 (N-cyclopropylmethyl-14beta-(2'-methylcinnamoylamin...) Show SMILES COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccccc1C |TLB:4:5:24:8.14.13,18:19:24:8.14.13| Show InChI InChI=1S/C31H34N2O4/c1-19-5-3-4-6-21(19)10-12-26(35)32-31-14-13-23(34)29-30(31)15-16-33(18-20-7-8-20)25(31)17-22-9-11-24(36-2)28(37-29)27(22)30/h3-6,9-12,20,25,29H,7-8,13-18H2,1-2H3,(H,32,35)/b12-10+/t25?,29-,30-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Stimulation of [35S]GTP-gamma-S binding to human recombinant DOR				J Med Chem 49: 5333-8 (2006) Article DOI: 10.1021/jm0604777 BindingDB Entry DOI: 10.7270/Q2WH2QSM
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50193536 (N-cyclopropylmethyl-14beta-(2'-methylcinnamoylamin...) Show SMILES COc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccccc1C |TLB:4:5:24:8.14.13,18:19:24:8.14.13| Show InChI InChI=1S/C31H34N2O4/c1-19-5-3-4-6-21(19)10-12-26(35)32-31-14-13-23(34)29-30(31)15-16-33(18-20-7-8-20)25(31)17-22-9-11-24(36-2)28(37-29)27(22)30/h3-6,9-12,20,25,29H,7-8,13-18H2,1-2H3,(H,32,35)/b12-10+/t25?,29-,30-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.80	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Stimulation of [35S]GTP-gamma-S binding to human recombinant KOR				J Med Chem 49: 5333-8 (2006) Article DOI: 10.1021/jm0604777 BindingDB Entry DOI: 10.7270/Q2WH2QSM
					More data for this Ligand-Target Pair