BDBM50181142 (S)-4-(2,5-difluorophenyl)-N-(2-hydroxyethyl)-2-(3-hydroxyphenyl)-N-methyl-2H-pyrrole-1(5H)-carboxamide::CHEMBL206798

SMILES: CN(CCO)C(=O)N1CC(=C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F

InChI Key: InChIKey=CHZRIUCQCGDOGQ-IBGZPJMESA-N

Data: 3 IC50

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 3 hits for monomerid = 50181142   

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
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50181142 ((S)-4-(2,5-difluorophenyl)-N-(2-hydroxyethyl)-2-(3...) Show SMILES CN(CCO)C(=O)N1CC(=C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |c:9| Show InChI InChI=1S/C20H20F2N2O3/c1-23(7-8-25)20(27)24-12-14(17-11-15(21)5-6-18(17)22)10-19(24)13-3-2-4-16(26)9-13/h2-6,9-11,19,25-26H,7-8,12H2,1H3/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of KSP by ATPase assay				Bioorg Med Chem Lett 16: 1780-3 (2006) Article DOI: 10.1016/j.bmcl.2005.12.094 BindingDB Entry DOI: 10.7270/Q2PZ58D2
					More data for this Ligand-Target Pair				3D Structure (docked)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50181142 ((S)-4-(2,5-difluorophenyl)-N-(2-hydroxyethyl)-2-(3...) Show SMILES CN(CCO)C(=O)N1CC(=C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |c:9| Show InChI InChI=1S/C20H20F2N2O3/c1-23(7-8-25)20(27)24-12-14(17-11-15(21)5-6-18(17)22)10-19(24)13-3-2-4-16(26)9-13/h2-6,9-11,19,25-26H,7-8,12H2,1H3/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of KSP				Bioorg Med Chem Lett 17: 722-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.083 BindingDB Entry DOI: 10.7270/Q2HT2Q4S
					More data for this Ligand-Target Pair				3D Structure (docked)
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50181142 ((S)-4-(2,5-difluorophenyl)-N-(2-hydroxyethyl)-2-(3...) Show SMILES CN(CCO)C(=O)N1CC(=C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |c:9| Show InChI InChI=1S/C20H20F2N2O3/c1-23(7-8-25)20(27)24-12-14(17-11-15(21)5-6-18(17)22)10-19(24)13-3-2-4-16(26)9-13/h2-6,9-11,19,25-26H,7-8,12H2,1H3/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human hERG receptor expreesed in HEK cells				Bioorg Med Chem Lett 16: 1780-3 (2006) Article DOI: 10.1016/j.bmcl.2005.12.094 BindingDB Entry DOI: 10.7270/Q2PZ58D2
					More data for this Ligand-Target Pair