BDBM50130927 CHEMBL3633184

SMILES: [H][C@]12CC[C@]([H])(C[C@@H](CN3CC[C@H](C3)N3Cc4ccccc4NC3=O)C1)N2C(=O)OCC

InChI Key: InChIKey=BUYVTPGEWYQFCF-RSPOEFSDSA-N

Data: 5 IC50  2 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 7 hits for monomerid = 50130927   

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
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50130927 (CHEMBL3633184) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](CN3CC[C@H](C3)N3Cc4ccccc4NC3=O)C1)N2C(=O)OCC |r| Show InChI InChI=1S/C23H32N4O3/c1-2-30-23(29)27-18-7-8-19(27)12-16(11-18)13-25-10-9-20(15-25)26-14-17-5-3-4-6-21(17)24-22(26)28/h3-6,16,18-20H,2,7-15H2,1H3,(H,24,28)/t16-,18-,19+,20-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	86	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co. Ltd. Curated by ChEMBL					Assay Description Partial agonist activity at human muscarinic M4 acetylcholine receptor expressed in CHO cells co-expressing Galpha16 assessed as calcium mobilization...				Bioorg Med Chem Lett 25: 5357-61 (2015) BindingDB Entry DOI: 10.7270/Q2VT1TX2
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50130927 (CHEMBL3633184) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](CN3CC[C@H](C3)N3Cc4ccccc4NC3=O)C1)N2C(=O)OCC |r| Show InChI InChI=1S/C23H32N4O3/c1-2-30-23(29)27-18-7-8-19(27)12-16(11-18)13-25-10-9-20(15-25)26-14-17-5-3-4-6-21(17)24-22(26)28/h3-6,16,18-20H,2,7-15H2,1H3,(H,24,28)/t16-,18-,19+,20-/m1/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co. Ltd. Curated by ChEMBL					Assay Description Agonist activity at human muscarinic M1 acetylcholine receptor expressed in CHO cells assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 25: 5357-61 (2015) BindingDB Entry DOI: 10.7270/Q2VT1TX2
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50130927 (CHEMBL3633184) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](CN3CC[C@H](C3)N3Cc4ccccc4NC3=O)C1)N2C(=O)OCC |r| Show InChI InChI=1S/C23H32N4O3/c1-2-30-23(29)27-18-7-8-19(27)12-16(11-18)13-25-10-9-20(15-25)26-14-17-5-3-4-6-21(17)24-22(26)28/h3-6,16,18-20H,2,7-15H2,1H3,(H,24,28)/t16-,18-,19+,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 25: 5357-61 (2015) BindingDB Entry DOI: 10.7270/Q2VT1TX2
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50130927 (CHEMBL3633184) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](CN3CC[C@H](C3)N3Cc4ccccc4NC3=O)C1)N2C(=O)OCC |r| Show InChI InChI=1S/C23H32N4O3/c1-2-30-23(29)27-18-7-8-19(27)12-16(11-18)13-25-10-9-20(15-25)26-14-17-5-3-4-6-21(17)24-22(26)28/h3-6,16,18-20H,2,7-15H2,1H3,(H,24,28)/t16-,18-,19+,20-/m1/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 25: 5357-61 (2015) BindingDB Entry DOI: 10.7270/Q2VT1TX2
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50130927 (CHEMBL3633184) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](CN3CC[C@H](C3)N3Cc4ccccc4NC3=O)C1)N2C(=O)OCC |r| Show InChI InChI=1S/C23H32N4O3/c1-2-30-23(29)27-18-7-8-19(27)12-16(11-18)13-25-10-9-20(15-25)26-14-17-5-3-4-6-21(17)24-22(26)28/h3-6,16,18-20H,2,7-15H2,1H3,(H,24,28)/t16-,18-,19+,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 25: 5357-61 (2015) BindingDB Entry DOI: 10.7270/Q2VT1TX2
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50130927 (CHEMBL3633184) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](CN3CC[C@H](C3)N3Cc4ccccc4NC3=O)C1)N2C(=O)OCC |r| Show InChI InChI=1S/C23H32N4O3/c1-2-30-23(29)27-18-7-8-19(27)12-16(11-18)13-25-10-9-20(15-25)26-14-17-5-3-4-6-21(17)24-22(26)28/h3-6,16,18-20H,2,7-15H2,1H3,(H,24,28)/t16-,18-,19+,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 25: 5357-61 (2015) BindingDB Entry DOI: 10.7270/Q2VT1TX2
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50130927 (CHEMBL3633184) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](CN3CC[C@H](C3)N3Cc4ccccc4NC3=O)C1)N2C(=O)OCC |r| Show InChI InChI=1S/C23H32N4O3/c1-2-30-23(29)27-18-7-8-19(27)12-16(11-18)13-25-10-9-20(15-25)26-14-17-5-3-4-6-21(17)24-22(26)28/h3-6,16,18-20H,2,7-15H2,1H3,(H,24,28)/t16-,18-,19+,20-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 25: 5357-61 (2015) BindingDB Entry DOI: 10.7270/Q2VT1TX2
					More data for this Ligand-Target Pair