BDBM44650 1-({6-[(cyanomethyl)thio]benzimidazo[1,2-c]quinazolin-3-yl}carbonyl)piperidine-4-carboxamide::1-[6-(cyanomethylsulfanyl)benzimidazolo[1,2-c]quinazolin-3-yl]carbonylpiperidine-4-carboxamide::1-[6-(cyanomethylsulfanyl)benzimidazolo[1,2-c]quinazoline-3-carbonyl]piperidine-4-carboxamide::1-[6-(cyanomethylthio)benzimidazolo[1,2-c]quinazoline-3-carbonyl]isonipecotamide::1-[[6-(cyanomethylthio)-3-benzimidazolo[1,2-c]quinazolinyl]-oxomethyl]-4-piperidinecarboxamide::CHEMBL1501213::MLS000095230::SMR000030784::cid_3240564

SMILES: NC(=O)C1CCN(CC1)C(=O)c1ccc2c3nc4ccccc4n3c(SCC#N)nc2c1

InChI Key: InChIKey=MYUCPCJDLCLXDA-UHFFFAOYSA-N

Data: 1 KI  2 IC50  1 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 4 hits for monomerid = 44650   

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
Adenosine receptor A2a (Homo sapiens (Human))	BDBM44650 (1-({6-[(cyanomethyl)thio]benzimidazo[1,2-c]quinazo...) Show SMILES NC(=O)C1CCN(CC1)C(=O)c1ccc2c3nc4ccccc4n3c(SCC#N)nc2c1 Show InChI InChI=1S/C23H20N6O2S/c24-9-12-32-23-27-18-13-15(22(31)28-10-7-14(8-11-28)20(25)30)5-6-16(18)21-26-17-3-1-2-4-19(17)29(21)23/h1-6,13-14H,7-8,10-12H2,(H2,25,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human AA2AR expressed in HEK293T cells after 2 hrs by liquid scintillation counter				J Med Chem 55: 5311-25 (2012) Article DOI: 10.1021/jm300280e BindingDB Entry DOI: 10.7270/Q2N58NFZ
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM44650 (1-({6-[(cyanomethyl)thio]benzimidazo[1,2-c]quinazo...) Show SMILES NC(=O)C1CCN(CC1)C(=O)c1ccc2c3nc4ccccc4n3c(SCC#N)nc2c1 Show InChI InChI=1S/C23H20N6O2S/c24-9-12-32-23-27-18-13-15(22(31)28-10-7-14(8-11-28)20(25)30)5-6-16(18)21-26-17-3-1-2-4-19(17)29(21)23/h1-6,13-14H,7-8,10-12H2,(H2,25,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2DV1HJQ
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM44650 (1-({6-[(cyanomethyl)thio]benzimidazo[1,2-c]quinazo...) Show SMILES NC(=O)C1CCN(CC1)C(=O)c1ccc2c3nc4ccccc4n3c(SCC#N)nc2c1 Show InChI InChI=1S/C23H20N6O2S/c24-9-12-32-23-27-18-13-15(22(31)28-10-7-14(8-11-28)20(25)30)5-6-16(18)21-26-17-3-1-2-4-19(17)29(21)23/h1-6,13-14H,7-8,10-12H2,(H2,25,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.62E+3	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10) (Homo sapiens (Human))	BDBM44650 (1-({6-[(cyanomethyl)thio]benzimidazo[1,2-c]quinazo...) Show SMILES NC(=O)C1CCN(CC1)C(=O)c1ccc2c3nc4ccccc4n3c(SCC#N)nc2c1 Show InChI InChI=1S/C23H20N6O2S/c24-9-12-32-23-27-18-13-15(22(31)28-10-7-14(8-11-28)20(25)30)5-6-16(18)21-26-17-3-1-2-4-19(17)29(21)23/h1-6,13-14H,7-8,10-12H2,(H2,25,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2930RT9
					More data for this Ligand-Target Pair