BindingDB PrimarySearch

BDBM97233 CHEMBL9514::MLS001164242::N-[6-(2-thenoyl)-1H-benzimidazol-2-yl]carbamic acid methyl ester::N-[6-[oxo(thiophen-2-yl)methyl]-1H-benzimidazol-2-yl]carbamic acid methyl ester::Nocodazole::SMR000326904::cid_4122::methyl N-(6-thiophen-2-ylcarbonyl-1H-benzimidazol-2-yl)carbamate::methyl N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]carbamate::methyl [5-(2-thienylcarbonyl)-1H-benzimidazol-2-yl]carbamate

SMILES: COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cccs1

InChI Key: InChIKey=KYRVNWMVYQXFEU-UHFFFAOYSA-N

Data: 12 IC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 97233
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
nuclear receptor subfamily 0 group B member 1 (Homo sapiens (Human))	BDBM97233 (CHEMBL9514 \| MLS001164242 \| N-[6-(2-thenoyl)-1H-be...) Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cccs1 Show InChI	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	>833	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q23777B0
					More data for this Ligand-Target Pair
Steroidogenic Factor 1 (Homo sapiens (Human))	BDBM97233 (CHEMBL9514 \| MLS001164242 \| N-[6-(2-thenoyl)-1H-be...) Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cccs1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	>6.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2ZG6QV9
					More data for this Ligand-Target Pair
Tubulin (Sus scrofa (Pig))	BDBM97233 (CHEMBL9514 \| MLS001164242 \| N-[6-(2-thenoyl)-1H-be...) Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cccs1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description Displacement of 5.8 uM [3H]-oncodazole from homogeneous tubulin.				J Med Chem 32: 409-17 (1989) BindingDB Entry DOI: 10.7270/Q2125RN4
Smith Kline & French Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM97233 (CHEMBL9514 \| MLS001164242 \| N-[6-(2-thenoyl)-1H-be...) Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cccs1 Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin polymerization incubated for 90 mins by fluorescence-based assay				Eur J Med Chem 87: 306-15 (2014) Article DOI: 10.1016/j.ejmech.2014.09.071 BindingDB Entry DOI: 10.7270/Q29K4D16
Shenyang Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM97233 (CHEMBL9514 \| MLS001164242 \| N-[6-(2-thenoyl)-1H-be...) Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cccs1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description In vitro inhibition of maximum porcine tubulin assembly rate after 20 min at 37 degrees C				J Med Chem 46: 3382-94 (2003) Article DOI: 10.1021/jm0307685 BindingDB Entry DOI: 10.7270/Q2VT1VVK
Westphalian Wilhelms-University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tubulin beta chain (Sus scrofa)	BDBM97233 (CHEMBL9514 \| MLS001164242 \| N-[6-(2-thenoyl)-1H-be...) Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cccs1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry analysis				Bioorg Med Chem 19: 4183-91 (2011) Article DOI: 10.1016/j.bmc.2011.06.010 BindingDB Entry DOI: 10.7270/Q2222XKG
Westphalian Wilhelms-University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM97233 (CHEMBL9514 \| MLS001164242 \| N-[6-(2-thenoyl)-1H-be...) Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cccs1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of breakpoint cluster region-Abelson tyrosine kinase T315I mutant (unknown origin) using [gamma-33P]ATP as substrate by radiometric kinase...				J Med Chem 56: 3531-45 (2013) Article DOI: 10.1021/jm301891t BindingDB Entry DOI: 10.7270/Q2BG2RW2
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM97233 (CHEMBL9514 \| MLS001164242 \| N-[6-(2-thenoyl)-1H-be...) Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cccs1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry				Eur J Med Chem 45: 3420-38 (2010) Article DOI: 10.1016/j.ejmech.2010.04.032 BindingDB Entry DOI: 10.7270/Q2W95D13
Westphalian Wilhelms-University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tubulin beta chain (Sus scrofa)	BDBM97233 (CHEMBL9514 \| MLS001164242 \| N-[6-(2-thenoyl)-1H-be...) Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cccs1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetric assay				J Med Chem 52: 1284-94 (2009) Article DOI: 10.1021/jm801338r BindingDB Entry DOI: 10.7270/Q2VD7274
Westphalian Wilhelms-University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tubulin beta chain (Sus scrofa)	BDBM97233 (CHEMBL9514 \| MLS001164242 \| N-[6-(2-thenoyl)-1H-be...) Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cccs1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of pig tubulin polymerization determined after 45 mins at 37 degC by turbidimetric analysis				J Med Chem 54: 4247-63 (2011) Article DOI: 10.1021/jm200436t BindingDB Entry DOI: 10.7270/Q2BK1G7W
Westphalian Wilhelms-University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tubulin beta chain (Sus scrofa)	BDBM97233 (CHEMBL9514 \| MLS001164242 \| N-[6-(2-thenoyl)-1H-be...) Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cccs1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
CancerCare Manitoba Curated by ChEMBL					Assay Description Inhibition of porcine brain tubulin polymerization				J Med Chem 50: 6059-66 (2007) Article DOI: 10.1021/jm0708984 BindingDB Entry DOI: 10.7270/Q20C4ZJP
CancerCare Manitoba Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tubulin beta chain (Sus scrofa)	BDBM97233 (CHEMBL9514 \| MLS001164242 \| N-[6-(2-thenoyl)-1H-be...) Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cccs1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Westphalian Wilhelms-University Curated by ChEMBL					Assay Description Inhibition of tubulin polymerization in porcine brain				J Med Chem 49: 7816-25 (2006) Article DOI: 10.1021/jm0605031 BindingDB Entry DOI: 10.7270/Q28918ND
Westphalian Wilhelms-University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)