BDBM50286783 CHEMBL4159607

SMILES: C\C(CN)=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12

InChI Key: InChIKey=BASXCEHVMKEGCB-CWHOZVNYSA-N

Data: 4 IC50

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 = 50286783   

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 M1 and M3 (Homo sapiens (Human))	BDBM50286783 (CHEMBL4159607) Show SMILES C\C(CN)=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C24H32N4/c1-18(15-25)11-13-28(23-10-4-8-19-9-5-12-26-24(19)23)17-22-14-20-6-2-3-7-21(20)16-27-22/h2-3,5-7,9,11-12,22-23,27H,4,8,10,13-17,25H2,1H3/b18-11-/t22-,23+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Antagonist activity at mAChR M3 in human CCRF-CEM cells assessed as inhibition of acetylcholine-mediated calcium flux incubated for 25 mins followed ...				ACS Med Chem Lett 9: 89-93 (2018) Article DOI: 10.1021/acsmedchemlett.7b00406 BindingDB Entry DOI: 10.7270/Q2765HV5
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50286783 (CHEMBL4159607) Show SMILES C\C(CN)=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C24H32N4/c1-18(15-25)11-13-28(23-10-4-8-19-9-5-12-26-24(19)23)17-22-14-20-6-2-3-7-21(20)16-27-22/h2-3,5-7,9,11-12,22-23,27H,4,8,10,13-17,25H2,1H3/b18-11-/t22-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) using BFC as substrate				ACS Med Chem Lett 9: 89-93 (2018) Article DOI: 10.1021/acsmedchemlett.7b00406 BindingDB Entry DOI: 10.7270/Q2765HV5
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50286783 (CHEMBL4159607) Show SMILES C\C(CN)=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C24H32N4/c1-18(15-25)11-13-28(23-10-4-8-19-9-5-12-26-24(19)23)17-22-14-20-6-2-3-7-21(20)16-27-22/h2-3,5-7,9,11-12,22-23,27H,4,8,10,13-17,25H2,1H3/b18-11-/t22-,23+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<27	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2D6 expressed in insect microsomes using AMMC as substrate preincubated for 30 mins followed by NADPH addition mea...				ACS Med Chem Lett 9: 89-93 (2018) Article DOI: 10.1021/acsmedchemlett.7b00406 BindingDB Entry DOI: 10.7270/Q2765HV5
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50286783 (CHEMBL4159607) Show SMILES C\C(CN)=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C24H32N4/c1-18(15-25)11-13-28(23-10-4-8-19-9-5-12-26-24(19)23)17-22-14-20-6-2-3-7-21(20)16-27-22/h2-3,5-7,9,11-12,22-23,27H,4,8,10,13-17,25H2,1H3/b18-11-/t22-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 ...				ACS Med Chem Lett 9: 89-93 (2018) Article DOI: 10.1021/acsmedchemlett.7b00406 BindingDB Entry DOI: 10.7270/Q2765HV5
					More data for this Ligand-Target Pair