BDBM50151218 CHEMBL2368392::difluoro(2-{[(2Z)-1-methyl-5-(2-{[2-(2-{2-[4-(2-oxo-2-{10-oxo-2,4,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl}ethyl)piperazin-1-yl]ethoxy}ethoxy)ethyl]carbamoyl}ethyl)-2H-pyrrol-1-ium-2-ylidene]methyl}-5-(thiophen-2-yl)-1H-pyrrol-1-yl)boranuide

SMILES: F[B-]1(F)n2c(ccc2-c2cccs2)C=C2C=CC(CCC(=O)NCCOCCOCCOCCOCCOCCOCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc45)CC3)=[N+]12

InChI Key: InChIKey=DIZUUDTUHKHLCD-UHFFFAOYSA-N

Data: 1 KI  1 Kd

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 2 hits for monomerid = 50151218   

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 (Homo sapiens (Human))	BDBM50151218 (CHEMBL2368392 | difluoro(2-{[(2Z)-1-methyl-5-(2-{[...) Show SMILES F[B-]1(F)n2c(ccc2-c2cccs2)C=C2C=CC(CCC(=O)NCCOCCOCCOCCOCCOCCOCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc45)CC3)=[N+]12 |c:17,t:15,73| Show InChI InChI=1S/C48H59BF2N8O9S/c50-49(51)58-37(9-10-38(58)35-39-11-13-43(59(39)49)44-8-4-34-69-44)12-14-45(60)52-16-22-63-24-26-65-28-30-67-32-33-68-31-29-66-27-25-64-23-21-55-17-19-56(20-18-55)36-46(61)57-42-7-2-1-5-40(42)48(62)54-41-6-3-15-53-47(41)57/h1-11,13,15,34-35H,12,14,16-33,36H2,(H,52,60)(H,54,62)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS/ULP 7081 Curated by ChEMBL					Assay Description Inhibition of [3H]QNB binding to human muscarinic receptor M1				J Med Chem 47: 4300-15 (2004) Article DOI: 10.1021/jm040800a BindingDB Entry DOI: 10.7270/Q2T43TVQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50151218 (CHEMBL2368392 | difluoro(2-{[(2Z)-1-methyl-5-(2-{[...) Show SMILES F[B-]1(F)n2c(ccc2-c2cccs2)C=C2C=CC(CCC(=O)NCCOCCOCCOCCOCCOCCOCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc45)CC3)=[N+]12 |c:17,t:15,73| Show InChI InChI=1S/C48H59BF2N8O9S/c50-49(51)58-37(9-10-38(58)35-39-11-13-43(59(39)49)44-8-4-34-69-44)12-14-45(60)52-16-22-63-24-26-65-28-30-67-32-33-68-31-29-66-27-25-64-23-21-55-17-19-56(20-18-55)36-46(61)57-42-7-2-1-5-40(42)48(62)54-41-6-3-15-53-47(41)57/h1-11,13,15,34-35H,12,14,16-33,36H2,(H,52,60)(H,54,62)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a
UMR CNRS/ULP 7081 Curated by ChEMBL					Assay Description Apparent dissociation constant for human muscarinic receptor M1 from FRET based binding assay				J Med Chem 47: 4300-15 (2004) Article DOI: 10.1021/jm040800a BindingDB Entry DOI: 10.7270/Q2T43TVQ
					More data for this Ligand-Target Pair