BDBM50204703 4-(6-((4-hydroxypiperidin-1-yl)methyl)-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)benzoic acid::CHEMBL242949

SMILES: OC1CCN(Cc2ccc-3c(Cc4c(n[nH]c-34)-c3ccc(cc3)C(O)=O)c2)CC1

InChI Key: InChIKey=BTAXBQBKBCHPOQ-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 50204703   

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
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50204703 (4-(6-((4-hydroxypiperidin-1-yl)methyl)-1,4-dihydro...) Show SMILES OC1CCN(Cc2ccc-3c(Cc4c(n[nH]c-34)-c3ccc(cc3)C(O)=O)c2)CC1 Show InChI InChI=1S/C23H23N3O3/c27-18-7-9-26(10-8-18)13-14-1-6-19-17(11-14)12-20-21(24-25-22(19)20)15-2-4-16(5-3-15)23(28)29/h1-6,11,18,27H,7-10,12-13H2,(H,24,25)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.90E+4	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antiproliferative activity against human SW620 cells by soft agar assay				Bioorg Med Chem 15: 2759-67 (2007) Article DOI: 10.1016/j.bmc.2007.01.012 BindingDB Entry DOI: 10.7270/Q2XS5V22
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50204703 (4-(6-((4-hydroxypiperidin-1-yl)methyl)-1,4-dihydro...) Show SMILES OC1CCN(Cc2ccc-3c(Cc4c(n[nH]c-34)-c3ccc(cc3)C(O)=O)c2)CC1 Show InChI InChI=1S/C23H23N3O3/c27-18-7-9-26(10-8-18)13-14-1-6-19-17(11-14)12-20-21(24-25-22(19)20)15-2-4-16(5-3-15)23(28)29/h1-6,11,18,27H,7-10,12-13H2,(H,24,25)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation				Bioorg Med Chem 15: 2759-67 (2007) Article DOI: 10.1016/j.bmc.2007.01.012 BindingDB Entry DOI: 10.7270/Q2XS5V22
					More data for this Ligand-Target Pair				3D Structure (docked)