BDBM50187891 2-[(1E,3E)-5-[(2E)-1-[5-({2-[(Z)-[(cyanoamino)({3-[3-(piperidin-1-ylmethyl)phenoxy]propyl}amino)methylidene]amino]ethyl}carbamoyl)pentyl]-3,3-dimethyl-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-3,3-dimethyl-1-(4-sulfonatobutyl)-3H-indol-1-ium::CHEMBL213357

SMILES: CC1(C)\C(=C/C=CC=CC2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCN=C(NCCCOc2cccc(CN3CCCCC3)c2)NC#N)c2ccccc12

InChI Key: InChIKey=GFJYCIFKTFCPQN-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 50187891   

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
Histamine H2 Receptor (Homo sapiens (Human))	BDBM50187891 (2-[(1E,3E)-5-[(2E)-1-[5-({2-[(Z)-[(cyanoamino)({3-...) Show SMILES CC1(C)\C(=C/C=CC=CC2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCN=C(NCCCOc2cccc(CN3CCCCC3)c2)NC#N)c2ccccc12 |w:5.4,7.6,39.40,c:9| Show InChI InChI=1S/C54H72N8O5S/c1-53(2)45-24-11-13-26-47(45)61(49(53)28-8-5-9-29-50-54(3,4)46-25-12-14-27-48(46)62(50)37-18-19-39-68(64,65)66)36-17-6-10-30-51(63)56-32-33-58-52(59-42-55)57-31-21-38-67-44-23-20-22-43(40-44)41-60-34-15-7-16-35-60/h5,8-9,11-14,20,22-29,40H,6-7,10,15-19,21,30-39,41H2,1-4H3,(H3-,56,57,58,59,63,64,65,66)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human H2R				Bioorg Med Chem Lett 16: 3886-90 (2006) Article DOI: 10.1016/j.bmcl.2006.05.039 BindingDB Entry DOI: 10.7270/Q2J102S2
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50187891 (2-[(1E,3E)-5-[(2E)-1-[5-({2-[(Z)-[(cyanoamino)({3-...) Show SMILES CC1(C)\C(=C/C=CC=CC2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCN=C(NCCCOc2cccc(CN3CCCCC3)c2)NC#N)c2ccccc12 |w:5.4,7.6,39.40,c:9| Show InChI InChI=1S/C54H72N8O5S/c1-53(2)45-24-11-13-26-47(45)61(49(53)28-8-5-9-29-50-54(3,4)46-25-12-14-27-48(46)62(50)37-18-19-39-68(64,65)66)36-17-6-10-30-51(63)56-32-33-58-52(59-42-55)57-31-21-38-67-44-23-20-22-43(40-44)41-60-34-15-7-16-35-60/h5,8-9,11-14,20,22-29,40H,6-7,10,15-19,21,30-39,41H2,1-4H3,(H3-,56,57,58,59,63,64,65,66)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	90	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Agonist activity at guinea pig H2R				Bioorg Med Chem Lett 16: 3886-90 (2006) Article DOI: 10.1016/j.bmcl.2006.05.039 BindingDB Entry DOI: 10.7270/Q2J102S2
					More data for this Ligand-Target Pair