BDBM83905 4-[(3-keto-5-methyl-3-pyrazolin-4-yl)-[1-(1-naphthylmethyl)indol-3-yl]methyl]-5-methyl-3-pyrazolin-3-one::4-{(5-hydroxy-3-methyl-1H-pyrazol-4-yl)[1-(1-naphthylmethyl)-1H-indol-3-yl]methyl}-3-methyl-1H-pyrazol-5-ol::5-methyl-4-[(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methyl]-1,2-dihydropyrazol-3-one::5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-[1-(1-naphthalenylmethyl)-3-indolyl]methyl]-1,2-dihydropyrazol-3-one::5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methyl]-1,2-dihydropyrazol-3-one::MLS000539683::SMR000162433::cid_4240836

SMILES: Cc1[nH][nH]c(=O)c1C(c1cn(Cc2cccc3ccccc23)c2ccccc12)c1c(C)[nH][nH]c1=O

InChI Key: InChIKey=ACADUZHIPKMGIT-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 83905   

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
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM83905 (4-[(3-keto-5-methyl-3-pyrazolin-4-yl)-[1-(1-naphth...) Show SMILES Cc1[nH][nH]c(=O)c1C(c1cn(Cc2cccc3ccccc23)c2ccccc12)c1c(C)[nH][nH]c1=O Show InChI InChI=1S/C28H21N5O2/c1-16-24(27(34)31-29-16)26(25-17(2)30-32-28(25)35)22-15-33(23-13-6-5-12-21(22)23)14-19-10-7-9-18-8-3-4-11-20(18)19/h3-13,15,26H,14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2JS9NZB
					More data for this Ligand-Target Pair
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM83905 (4-[(3-keto-5-methyl-3-pyrazolin-4-yl)-[1-(1-naphth...) Show SMILES Cc1[nH][nH]c(=O)c1C(c1cn(Cc2cccc3ccccc23)c2ccccc12)c1c(C)[nH][nH]c1=O Show InChI InChI=1S/C28H21N5O2/c1-16-24(27(34)31-29-16)26(25-17(2)30-32-28(25)35)22-15-33(23-13-6-5-12-21(22)23)14-19-10-7-9-18-8-3-4-11-20(18)19/h3-13,15,26H,14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2F18X8S
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM83905 (4-[(3-keto-5-methyl-3-pyrazolin-4-yl)-[1-(1-naphth...) Show SMILES Cc1[nH][nH]c(=O)c1C(c1cn(Cc2cccc3ccccc23)c2ccccc12)c1c(C)[nH][nH]c1=O Show InChI InChI=1S/C28H21N5O2/c1-16-24(27(34)31-29-16)26(25-17(2)30-32-28(25)35)22-15-33(23-13-6-5-12-21(22)23)14-19-10-7-9-18-8-3-4-11-20(18)19/h3-13,15,26H,14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q25M647F
					More data for this Ligand-Target Pair
protein artemis isoform a (Homo sapiens (Human))	BDBM83905 (4-[(3-keto-5-methyl-3-pyrazolin-4-yl)-[1-(1-naphth...) Show SMILES Cc1[nH][nH]c(=O)c1C(c1cn(Cc2cccc3ccccc23)c2ccccc12)c1c(C)[nH][nH]c1=O Show InChI InChI=1S/C28H21N5O2/c1-16-24(27(34)31-29-16)26(25-17(2)30-32-28(25)35)22-15-33(23-13-6-5-12-21(22)23)14-19-10-7-9-18-8-3-4-11-20(18)19/h3-13,15,26H,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...				PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2MC8XP5
					More data for this Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8 (Homo sapiens (Human))	BDBM83905 (4-[(3-keto-5-methyl-3-pyrazolin-4-yl)-[1-(1-naphth...) Show SMILES Cc1[nH][nH]c(=O)c1C(c1cn(Cc2cccc3ccccc23)c2ccccc12)c1c(C)[nH][nH]c1=O Show InChI InChI=1S/C28H21N5O2/c1-16-24(27(34)31-29-16)26(25-17(2)30-32-28(25)35)22-15-33(23-13-6-5-12-21(22)23)14-19-10-7-9-18-8-3-4-11-20(18)19/h3-13,15,26H,14H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2P849HJ
					More data for this Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8 (Homo sapiens (Human))	BDBM83905 (4-[(3-keto-5-methyl-3-pyrazolin-4-yl)-[1-(1-naphth...) Show SMILES Cc1[nH][nH]c(=O)c1C(c1cn(Cc2cccc3ccccc23)c2ccccc12)c1c(C)[nH][nH]c1=O Show InChI InChI=1S/C28H21N5O2/c1-16-24(27(34)31-29-16)26(25-17(2)30-32-28(25)35)22-15-33(23-13-6-5-12-21(22)23)14-19-10-7-9-18-8-3-4-11-20(18)19/h3-13,15,26H,14H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2JM2870
					More data for this Ligand-Target Pair
hypothetical protein SA1422 (Staphylococcus aureus subsp. aureus N315)	BDBM83905 (4-[(3-keto-5-methyl-3-pyrazolin-4-yl)-[1-(1-naphth...) Show SMILES Cc1[nH][nH]c(=O)c1C(c1cn(Cc2cccc3ccccc23)c2ccccc12)c1c(C)[nH][nH]c1=O Show InChI InChI=1S/C28H21N5O2/c1-16-24(27(34)31-29-16)26(25-17(2)30-32-28(25)35)22-15-33(23-13-6-5-12-21(22)23)14-19-10-7-9-18-8-3-4-11-20(18)19/h3-13,15,26H,14H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BV7F7H
					More data for this Ligand-Target Pair