BDBM50313661 CHEMBL1095040::N-(6-chloro-5-phenyl-1H-indazol-3-yl)butanamide::N-(6-chloro-5-phenyl-1H-indazol-3-yl)butyramide

SMILES: CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccccc1

InChI Key: InChIKey=WGVVIVGNBSSANI-UHFFFAOYSA-N

Data: 9 IC50

PDB links: 1 PDB ID matches this monomer.

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 9 hits for monomerid = 50313661   

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
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50313661 (CHEMBL1095040 | N-(6-chloro-5-phenyl-1H-indazol-3-...) Show SMILES CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccccc1 Show InChI InChI=1S/C17H16ClN3O/c1-2-6-16(22)19-17-13-9-12(11-7-4-3-5-8-11)14(18)10-15(13)20-21-17/h3-5,7-10H,2,6H2,1H3,(H2,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-aventis Curated by ChEMBL					Assay Description Inhibition of Cdk1				Bioorg Med Chem Lett 20: 1985-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.114 BindingDB Entry DOI: 10.7270/Q2QN66XJ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50313661 (CHEMBL1095040 | N-(6-chloro-5-phenyl-1H-indazol-3-...) Show SMILES CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccccc1 Show InChI InChI=1S/C17H16ClN3O/c1-2-6-16(22)19-17-13-9-12(11-7-4-3-5-8-11)14(18)10-15(13)20-21-17/h3-5,7-10H,2,6H2,1H3,(H2,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-aventis Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4				Bioorg Med Chem Lett 20: 2344-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.132 BindingDB Entry DOI: 10.7270/Q2SB45WF
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50313661 (CHEMBL1095040 | N-(6-chloro-5-phenyl-1H-indazol-3-...) Show SMILES CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccccc1 Show InChI InChI=1S/C17H16ClN3O/c1-2-6-16(22)19-17-13-9-12(11-7-4-3-5-8-11)14(18)10-15(13)20-21-17/h3-5,7-10H,2,6H2,1H3,(H2,19,20,21,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-aventis Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6				Bioorg Med Chem Lett 20: 2344-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.132 BindingDB Entry DOI: 10.7270/Q2SB45WF
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50313661 (CHEMBL1095040 | N-(6-chloro-5-phenyl-1H-indazol-3-...) Show SMILES CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccccc1 Show InChI InChI=1S/C17H16ClN3O/c1-2-6-16(22)19-17-13-9-12(11-7-4-3-5-8-11)14(18)10-15(13)20-21-17/h3-5,7-10H,2,6H2,1H3,(H2,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-aventis Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C9				Bioorg Med Chem Lett 20: 2344-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.132 BindingDB Entry DOI: 10.7270/Q2SB45WF
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50313661 (CHEMBL1095040 | N-(6-chloro-5-phenyl-1H-indazol-3-...) Show SMILES CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccccc1 Show InChI InChI=1S/C17H16ClN3O/c1-2-6-16(22)19-17-13-9-12(11-7-4-3-5-8-11)14(18)10-15(13)20-21-17/h3-5,7-10H,2,6H2,1H3,(H2,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-aventis Curated by ChEMBL					Assay Description Inhibition of Cdk2				Bioorg Med Chem Lett 20: 1985-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.114 BindingDB Entry DOI: 10.7270/Q2QN66XJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50313661 (CHEMBL1095040 | N-(6-chloro-5-phenyl-1H-indazol-3-...) Show SMILES CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccccc1 Show InChI InChI=1S/C17H16ClN3O/c1-2-6-16(22)19-17-13-9-12(11-7-4-3-5-8-11)14(18)10-15(13)20-21-17/h3-5,7-10H,2,6H2,1H3,(H2,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-aventis Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta by kinetic assay				Bioorg Med Chem Lett 20: 2344-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.132 BindingDB Entry DOI: 10.7270/Q2SB45WF
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50313661 (CHEMBL1095040 | N-(6-chloro-5-phenyl-1H-indazol-3-...) Show SMILES CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccccc1 Show InChI InChI=1S/C17H16ClN3O/c1-2-6-16(22)19-17-13-9-12(11-7-4-3-5-8-11)14(18)10-15(13)20-21-17/h3-5,7-10H,2,6H2,1H3,(H2,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-aventis Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3-beta using gamma[33P]-ATP after 30 mins by scintillation proximity assay				Bioorg Med Chem Lett 20: 1985-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.114 BindingDB Entry DOI: 10.7270/Q2QN66XJ
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Rattus norvegicus)	BDBM50313661 (CHEMBL1095040 | N-(6-chloro-5-phenyl-1H-indazol-3-...) Show SMILES CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccccc1 Show InChI InChI=1S/C17H16ClN3O/c1-2-6-16(22)19-17-13-9-12(11-7-4-3-5-8-11)14(18)10-15(13)20-21-17/h3-5,7-10H,2,6H2,1H3,(H2,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-aventis Curated by ChEMBL					Assay Description Inhibition of Tau phosphorylation in rat cerebral cortex after 120 mins by chemiluminescence assay				Bioorg Med Chem Lett 20: 1985-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.114 BindingDB Entry DOI: 10.7270/Q2QN66XJ
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50313661 (CHEMBL1095040 | N-(6-chloro-5-phenyl-1H-indazol-3-...) Show SMILES CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccccc1 Show InChI InChI=1S/C17H16ClN3O/c1-2-6-16(22)19-17-13-9-12(11-7-4-3-5-8-11)14(18)10-15(13)20-21-17/h3-5,7-10H,2,6H2,1H3,(H2,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-aventis Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C19				Bioorg Med Chem Lett 20: 2344-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.132 BindingDB Entry DOI: 10.7270/Q2SB45WF
					More data for this Ligand-Target Pair