BDBM50013849 14-[4-azido(methyl)anilino]-4-cyclopropylmethyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-triene-10,17-diol(azidonaltrexone)::CHEMBL314209

SMILES: CN(C1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45)c1ccc(cc1)N=[N+]=[N-]

InChI Key: InChIKey=ZGKLZGMAGDHXEN-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50013849   

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
Opioid receptor (Rattus norvegicus (rat)-RAT)	BDBM50013849 (14-[4-azido(methyl)anilino]-4-cyclopropylmethyl-12...) Show SMILES CN(C1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45)c1ccc(cc1)N=[N+]=[N-] |TLB:14:25:5:20.18.19,10:9:5:20.18.19,THB:4:5:25.9.8:20.18.19| Show InChI InChI=1S/C27H31N5O3/c1-31(19-7-5-18(6-8-19)29-30-28)20-10-11-27(34)22-14-17-4-9-21(33)24-23(17)26(27,25(20)35-24)12-13-32(22)15-16-2-3-16/h4-9,16,20,22,25,33-34H,2-3,10-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to rat brain membrane opioid receptors;(T= total opioid receptor family)				J Med Chem 33: 2456-64 (1990) BindingDB Entry DOI: 10.7270/Q21Z451M
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50013849 (14-[4-azido(methyl)anilino]-4-cyclopropylmethyl-12...) Show SMILES CN(C1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45)c1ccc(cc1)N=[N+]=[N-] |TLB:14:25:5:20.18.19,10:9:5:20.18.19,THB:4:5:25.9.8:20.18.19| Show InChI InChI=1S/C27H31N5O3/c1-31(19-7-5-18(6-8-19)29-30-28)20-10-11-27(34)22-14-17-4-9-21(33)24-23(17)26(27,25(20)35-24)12-13-32(22)15-16-2-3-16/h4-9,16,20,22,25,33-34H,2-3,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Inhibition of [3H]DAGO binding to rat brain membrane Opioid receptor mu 1				J Med Chem 33: 2456-64 (1990) BindingDB Entry DOI: 10.7270/Q21Z451M
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50013849 (14-[4-azido(methyl)anilino]-4-cyclopropylmethyl-12...) Show SMILES CN(C1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45)c1ccc(cc1)N=[N+]=[N-] |TLB:14:25:5:20.18.19,10:9:5:20.18.19,THB:4:5:25.9.8:20.18.19| Show InChI InChI=1S/C27H31N5O3/c1-31(19-7-5-18(6-8-19)29-30-28)20-10-11-27(34)22-14-17-4-9-21(33)24-23(17)26(27,25(20)35-24)12-13-32(22)15-16-2-3-16/h4-9,16,20,22,25,33-34H,2-3,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Opioid receptor delta 1 apparent binding constant from rat brain membranes using [3H]DADLE binding assay				J Med Chem 33: 2456-64 (1990) BindingDB Entry DOI: 10.7270/Q21Z451M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50013849 (14-[4-azido(methyl)anilino]-4-cyclopropylmethyl-12...) Show SMILES CN(C1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45)c1ccc(cc1)N=[N+]=[N-] |TLB:14:25:5:20.18.19,10:9:5:20.18.19,THB:4:5:25.9.8:20.18.19| Show InChI InChI=1S/C27H31N5O3/c1-31(19-7-5-18(6-8-19)29-30-28)20-10-11-27(34)22-14-17-4-9-21(33)24-23(17)26(27,25(20)35-24)12-13-32(22)15-16-2-3-16/h4-9,16,20,22,25,33-34H,2-3,10-15H2,1H3	PDB UniProtKB/SwissProt B.MOAD 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
Universit£ Louis Pasteur Curated by ChEMBL					Assay Description Opioid receptor kappa 1 apparent binding constant from guinea pig cerebellum using [3H]diprenorphine binding assay				J Med Chem 33: 2456-64 (1990) BindingDB Entry DOI: 10.7270/Q21Z451M
					More data for this Ligand-Target Pair