BindingDB PrimarySearch

BDBM50106187 Benzenecarboxamide::Benzoic acid amide::Benzoylamide::CHEMBL267373::Phenylcarboxamide::Phenylcarboxyamide::benzamide

SMILES: NC(=O)c1ccccc1

InChI Key: InChIKey=KXDAEFPNCMNJSK-UHFFFAOYSA-N

Data: 3 KI 4 IC50 1 ITC

PDB links: 8 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50106187
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Nicotinamide N-methyltransferase (NNMT) (Homo sapiens (Human))	BDBM50106187 (Benzenecarboxamide \| Benzoic acid amide \| Benzoyla...) Show SMILES NC(=O)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of full-length human N-terminal TEV cleavage site NNMT (1 to 270 residues) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIPL cells us...				J Med Chem 62: 10783-10797 (2019) Article DOI: 10.1021/acs.jmedchem.9b01255
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa) (Homo sapiens (Human))	BDBM50106187 (Benzenecarboxamide \| Benzoic acid amide \| Benzoyla...) Show SMILES NC(=O)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.90E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibition of human soluble tissue factor/factor VIIa expressed in Origami B (DE3) using D-Ile-Pro-Arg-pNA as substrate after 30 mins by spectrophoto...				J Med Chem 58: 2799-808 (2015) Article DOI: 10.1021/jm501982k BindingDB Entry DOI: 10.7270/Q28D007C
Bristol-Myers Squibb Co. Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa) (Homo sapiens (Human))	BDBM50106187 (Benzenecarboxamide \| Benzoic acid amide \| Benzoyla...) Show SMILES NC(=O)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.90E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb R&D Curated by ChEMBL					Assay Description Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins				ACS Med Chem Lett 7: 1077-1081 (2016) Article DOI: 10.1021/acsmedchemlett.6b00282 BindingDB Entry DOI: 10.7270/Q2GB2613
Bristol-Myers Squibb R&D Curated by ChEMBL					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50106187 (Benzenecarboxamide \| Benzoic acid amide \| Benzoyla...) Show SMILES NC(=O)c1ccccc1 Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of PARP-1 using [32P]-NAD+ after 15 mins				J Med Chem 54: 5403-13 (2011) Article DOI: 10.1021/jm200325s BindingDB Entry DOI: 10.7270/Q2416XFG
University of Arizona Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
poly(ADP-ribose) glycohydrolase (PARG) (Homo sapiens (Human))	BDBM50106187 (Benzenecarboxamide \| Benzoic acid amide \| Benzoyla...) Show SMILES NC(=O)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of PARG using [alpha-32P]ADP-ribose polymers after 5 mins by TRAP assay				J Med Chem 54: 5403-13 (2011) Article DOI: 10.1021/jm200325s BindingDB Entry DOI: 10.7270/Q2416XFG
University of Arizona Curated by ChEMBL					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50106187 (Benzenecarboxamide \| Benzoic acid amide \| Benzoyla...) Show SMILES NC(=O)c1ccccc1 Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description The compound was tested for poly(ADP-ribose)polymerase (PARP) inhibition				J Med Chem 44: 3786-94 (2001) BindingDB Entry DOI: 10.7270/Q2B857DN
Università di Perugia Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50106187 (Benzenecarboxamide \| Benzoic acid amide \| Benzoyla...) Show SMILES NC(=O)c1ccccc1 Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibitory activity against Poly (ADP-ribose) polymerase 1				J Med Chem 46: 3138-51 (2003) Article DOI: 10.1021/jm030109s BindingDB Entry DOI: 10.7270/Q2Z89D5P
Guilford Pharmaceuticals Inc Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 50106187
Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
BDBM36284	BDBM50106187	PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-5.63	n/a	n/a	4.11	7	25
University of Cambridge	BDBM50106187	PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		J Phys Chem B 114: 8606-15 (2010)