BDBM50193545 N-cyclopropylmethyl-14beta-(2'-methylcinnamoylamino)-7,8-dihydronormorphinone

SMILES: Cc1ccccc1\C=C\C(=O)N[C@]12CCC(=O)[C@@H]3Oc4c5c(CC1N(CC1CC1)CC[C@@]235)ccc4O

InChI Key: InChIKey=DUMZLVMMOPXENF-WMZOMSSISA-N

Data: 3 KI

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 3 hits for monomerid = 50193545   

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 (Homo sapiens (Human))	BDBM50193545 (N-cyclopropylmethyl-14beta-(2'-methylcinnamoylamin...) Show SMILES Cc1ccccc1\C=C\C(=O)N[C@]12CCC(=O)[C@@H]3Oc4c5c(CC1N(CC1CC1)CC[C@@]235)ccc4O |THB:32:21:12:24.30.29,19:20:12:24.30.29| Show InChI InChI=1S/C30H32N2O4/c1-18-4-2-3-5-20(18)9-11-25(35)31-30-13-12-23(34)28-29(30)14-15-32(17-19-6-7-19)24(30)16-21-8-10-22(33)27(36-28)26(21)29/h2-5,8-11,19,24,28,33H,6-7,12-17H2,1H3,(H,31,35)/b11-9+/t24?,28-,29-,30+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.720	n/a	n/a	n/a	n/a	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))	BDBM50193545 (N-cyclopropylmethyl-14beta-(2'-methylcinnamoylamin...) Show SMILES Cc1ccccc1\C=C\C(=O)N[C@]12CCC(=O)[C@@H]3Oc4c5c(CC1N(CC1CC1)CC[C@@]235)ccc4O |THB:32:21:12:24.30.29,19:20:12:24.30.29| Show InChI InChI=1S/C30H32N2O4/c1-18-4-2-3-5-20(18)9-11-25(35)31-30-13-12-23(34)28-29(30)14-15-32(17-19-6-7-19)24(30)16-21-8-10-22(33)27(36-28)26(21)29/h2-5,8-11,19,24,28,33H,6-7,12-17H2,1H3,(H,31,35)/b11-9+/t24?,28-,29-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol Curated by ChEMBL					Assay Description Displacement of [3H]Cl-DPDPE from human recombinant DOR expressed in CHO cells				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))	BDBM50193545 (N-cyclopropylmethyl-14beta-(2'-methylcinnamoylamin...) Show SMILES Cc1ccccc1\C=C\C(=O)N[C@]12CCC(=O)[C@@H]3Oc4c5c(CC1N(CC1CC1)CC[C@@]235)ccc4O |THB:32:21:12:24.30.29,19:20:12:24.30.29| Show InChI InChI=1S/C30H32N2O4/c1-18-4-2-3-5-20(18)9-11-25(35)31-30-13-12-23(34)28-29(30)14-15-32(17-19-6-7-19)24(30)16-21-8-10-22(33)27(36-28)26(21)29/h2-5,8-11,19,24,28,33H,6-7,12-17H2,1H3,(H,31,35)/b11-9+/t24?,28-,29-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article 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 Displacement of [3H]U-69593 from human recombinant KOR expressed in CHO cells				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