BDBM50182943 4-((S)-2-amino-3-oxo-3-((S)-3-(4-phenyl-1H-imidazol-2-yl)-3,4-dihydroisoquinolin-2(1H)-yl)propyl)-3,5-dimethylbenzamide::CHEMBL427214

SMILES: Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1)C(N)=O

InChI Key: InChIKey=WVYNHNGKKPVPMO-BDYUSTAISA-N

Data: 4 KI  4 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 8 hits for monomerid = 50182943   

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 receptors; mu & delta (Rattus norvegicus (rat))	BDBM50182943 (4-((S)-2-amino-3-oxo-3-((S)-3-(4-phenyl-1H-imidazo...) Show SMILES Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1)C(N)=O Show InChI InChI=1S/C30H31N5O2/c1-18-12-23(28(32)36)13-19(2)24(18)15-25(31)30(37)35-17-22-11-7-6-10-21(22)14-27(35)29-33-16-26(34-29)20-8-4-3-5-9-20/h3-13,16,25,27H,14-15,17,31H2,1-2H3,(H2,32,36)(H,33,34)/t25-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor in rat brain				Bioorg Med Chem Lett 16: 2505-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.082 BindingDB Entry DOI: 10.7270/Q29G5MDZ
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50182943 (4-((S)-2-amino-3-oxo-3-((S)-3-(4-phenyl-1H-imidazo...) Show SMILES Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1)C(N)=O Show InChI InChI=1S/C30H31N5O2/c1-18-12-23(28(32)36)13-19(2)24(18)15-25(31)30(37)35-17-22-11-7-6-10-21(22)14-27(35)29-33-16-26(34-29)20-8-4-3-5-9-20/h3-13,16,25,27H,14-15,17,31H2,1-2H3,(H2,32,36)(H,33,34)/t25-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Binding affinity to rat delta opioid receptor				Bioorg Med Chem Lett 22: 4869-72 (2012) Article DOI: 10.1016/j.bmcl.2012.05.042 BindingDB Entry DOI: 10.7270/Q2F76DP8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50182943 (4-((S)-2-amino-3-oxo-3-((S)-3-(4-phenyl-1H-imidazo...) Show SMILES Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1)C(N)=O Show InChI InChI=1S/C30H31N5O2/c1-18-12-23(28(32)36)13-19(2)24(18)15-25(31)30(37)35-17-22-11-7-6-10-21(22)14-27(35)29-33-16-26(34-29)20-8-4-3-5-9-20/h3-13,16,25,27H,14-15,17,31H2,1-2H3,(H2,32,36)(H,33,34)/t25-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain				Bioorg Med Chem Lett 16: 2505-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.082 BindingDB Entry DOI: 10.7270/Q29G5MDZ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50182943 (4-((S)-2-amino-3-oxo-3-((S)-3-(4-phenyl-1H-imidazo...) Show SMILES Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1)C(N)=O Show InChI InChI=1S/C30H31N5O2/c1-18-12-23(28(32)36)13-19(2)24(18)15-25(31)30(37)35-17-22-11-7-6-10-21(22)14-27(35)29-33-16-26(34-29)20-8-4-3-5-9-20/h3-13,16,25,27H,14-15,17,31H2,1-2H3,(H2,32,36)(H,33,34)/t25-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Binding affinity to rat mu opioid receptor				Bioorg Med Chem Lett 22: 4869-72 (2012) Article DOI: 10.1016/j.bmcl.2012.05.042 BindingDB Entry DOI: 10.7270/Q2F76DP8
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50182943 (4-((S)-2-amino-3-oxo-3-((S)-3-(4-phenyl-1H-imidazo...) Show SMILES Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1)C(N)=O Show InChI InChI=1S/C30H31N5O2/c1-18-12-23(28(32)36)13-19(2)24(18)15-25(31)30(37)35-17-22-11-7-6-10-21(22)14-27(35)29-33-16-26(34-29)20-8-4-3-5-9-20/h3-13,16,25,27H,14-15,17,31H2,1-2H3,(H2,32,36)(H,33,34)/t25-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Activity against delta opioid receptor by stimulation of [35S]GTPgammaS binding in CHO-hgamma cells				Bioorg Med Chem Lett 16: 2505-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.082 BindingDB Entry DOI: 10.7270/Q29G5MDZ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50182943 (4-((S)-2-amino-3-oxo-3-((S)-3-(4-phenyl-1H-imidazo...) Show SMILES Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1)C(N)=O Show InChI InChI=1S/C30H31N5O2/c1-18-12-23(28(32)36)13-19(2)24(18)15-25(31)30(37)35-17-22-11-7-6-10-21(22)14-27(35)29-33-16-26(34-29)20-8-4-3-5-9-20/h3-13,16,25,27H,14-15,17,31H2,1-2H3,(H2,32,36)(H,33,34)/t25-,27-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	161	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Activity against mu opioid receptor by stimulation of [35S]GTPgammaS binding in CHO-hgamma cells				Bioorg Med Chem Lett 16: 2505-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.082 BindingDB Entry DOI: 10.7270/Q29G5MDZ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50182943 (4-((S)-2-amino-3-oxo-3-((S)-3-(4-phenyl-1H-imidazo...) Show SMILES Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1)C(N)=O Show InChI InChI=1S/C30H31N5O2/c1-18-12-23(28(32)36)13-19(2)24(18)15-25(31)30(37)35-17-22-11-7-6-10-21(22)14-27(35)29-33-16-26(34-29)20-8-4-3-5-9-20/h3-13,16,25,27H,14-15,17,31H2,1-2H3,(H2,32,36)(H,33,34)/t25-,27-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	161	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Binding affinity to human mu opioid receptor				Bioorg Med Chem Lett 22: 4869-72 (2012) Article DOI: 10.1016/j.bmcl.2012.05.042 BindingDB Entry DOI: 10.7270/Q2F76DP8
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50182943 (4-((S)-2-amino-3-oxo-3-((S)-3-(4-phenyl-1H-imidazo...) Show SMILES Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1)C(N)=O Show InChI InChI=1S/C30H31N5O2/c1-18-12-23(28(32)36)13-19(2)24(18)15-25(31)30(37)35-17-22-11-7-6-10-21(22)14-27(35)29-33-16-26(34-29)20-8-4-3-5-9-20/h3-13,16,25,27H,14-15,17,31H2,1-2H3,(H2,32,36)(H,33,34)/t25-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a
Janssen Research and Development, L.L.C. Curated by ChEMBL					Assay Description Agonist activity at delta opioid receptor expressed in CHO-hg cells by [35S]-GTPgammaS binding assay				Bioorg Med Chem Lett 22: 4869-72 (2012) Article DOI: 10.1016/j.bmcl.2012.05.042 BindingDB Entry DOI: 10.7270/Q2F76DP8
					More data for this Ligand-Target Pair