BDBM47938 (4'S)-2'-(4-chlorophenyl)-1'-cyano-4'-(2-keto-2-methoxy-ethyl)spiro[fluorene-9,3'-pyrazolidine]-4'-carboxylic acid methyl ester::(4'S)-2'-(4-chlorophenyl)-1'-cyano-4'-(2-methoxy-2-oxoethyl)-4'-spiro[fluorene-9,3'-pyrazolidine]carboxylic acid methyl ester::MLS000550560::SMR000113937::cid_6552076::methyl (4'S)-2'-(4-chlorophenyl)-1'-cyano-4'-(2-methoxy-2-oxidanylidene-ethyl)spiro[fluorene-9,3'-pyrazolidine]-4'-carboxylate::methyl (4'S)-2'-(4-chlorophenyl)-1'-cyano-4'-(2-methoxy-2-oxoethyl)spiro[fluorene-9,3'-pyrazolidine]-4'-carboxylate::methyl 1-(4-chlorophenyl)-2-cyano-4-(2-methoxy-2-oxoethyl)spiro[pyrazolidine-5,9'-(9'H)-fluorene]-4-carboxylate

SMILES: COC(=O)C[C@@]1(CN(C#N)N(c2ccc(Cl)cc2)C11c2ccccc2-c2ccccc12)C(=O)OC

InChI Key: InChIKey=MELXVKLJUAWSEL-AREMUKBSSA-N

Data: 6 IC50  3 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 9 hits for monomerid = 47938   

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
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM47938 ((4'S)-2'-(4-chlorophenyl)-1'-cyano-4'-(2-keto-2-me...) Show SMILES COC(=O)C[C@@]1(CN(C#N)N(c2ccc(Cl)cc2)C11c2ccccc2-c2ccccc12)C(=O)OC Show InChI InChI=1S/C27H22ClN3O4/c1-34-24(32)15-26(25(33)35-2)16-30(17-29)31(19-13-11-18(28)12-14-19)27(26)22-9-5-3-7-20(22)21-8-4-6-10-23(21)27/h3-14H,15-16H2,1-2H3/t26-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q25T3HXW
					More data for this Ligand-Target Pair
Hsf1 protein (Mus musculus)	BDBM47938 ((4'S)-2'-(4-chlorophenyl)-1'-cyano-4'-(2-keto-2-me...) Show SMILES COC(=O)C[C@@]1(CN(C#N)N(c2ccc(Cl)cc2)C11c2ccccc2-c2ccccc12)C(=O)OC Show InChI InChI=1S/C27H22ClN3O4/c1-34-24(32)15-26(25(33)35-2)16-30(17-29)31(19-13-11-18(28)12-14-19)27(26)22-9-5-3-7-20(22)21-8-4-6-10-23(21)27/h3-14H,15-16H2,1-2H3/t26-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.74E+3	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MW2FKX
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM47938 ((4'S)-2'-(4-chlorophenyl)-1'-cyano-4'-(2-keto-2-me...) Show SMILES COC(=O)C[C@@]1(CN(C#N)N(c2ccc(Cl)cc2)C11c2ccccc2-c2ccccc12)C(=O)OC Show InChI InChI=1S/C27H22ClN3O4/c1-34-24(32)15-26(25(33)35-2)16-30(17-29)31(19-13-11-18(28)12-14-19)27(26)22-9-5-3-7-20(22)21-8-4-6-10-23(21)27/h3-14H,15-16H2,1-2H3/t26-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM47938 ((4'S)-2'-(4-chlorophenyl)-1'-cyano-4'-(2-keto-2-me...) Show SMILES COC(=O)C[C@@]1(CN(C#N)N(c2ccc(Cl)cc2)C11c2ccccc2-c2ccccc12)C(=O)OC Show InChI InChI=1S/C27H22ClN3O4/c1-34-24(32)15-26(25(33)35-2)16-30(17-29)31(19-13-11-18(28)12-14-19)27(26)22-9-5-3-7-20(22)21-8-4-6-10-23(21)27/h3-14H,15-16H2,1-2H3/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Lar...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZG6QP2
					More data for this Ligand-Target Pair
putative hexokinase HKDC1 (Homo sapiens (Human))	BDBM47938 ((4'S)-2'-(4-chlorophenyl)-1'-cyano-4'-(2-keto-2-me...) Show SMILES COC(=O)C[C@@]1(CN(C#N)N(c2ccc(Cl)cc2)C11c2ccccc2-c2ccccc12)C(=O)OC Show InChI InChI=1S/C27H22ClN3O4/c1-34-24(32)15-26(25(33)35-2)16-30(17-29)31(19-13-11-18(28)12-14-19)27(26)22-9-5-3-7-20(22)21-8-4-6-10-23(21)27/h3-14H,15-16H2,1-2H3/t26-/m1/s1	GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.00E+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, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q23F4N3R
					More data for this Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1 (Homo sapiens (Human))	BDBM47938 ((4'S)-2'-(4-chlorophenyl)-1'-cyano-4'-(2-keto-2-me...) Show SMILES COC(=O)C[C@@]1(CN(C#N)N(c2ccc(Cl)cc2)C11c2ccccc2-c2ccccc12)C(=O)OC Show InChI InChI=1S/C27H22ClN3O4/c1-34-24(32)15-26(25(33)35-2)16-30(17-29)31(19-13-11-18(28)12-14-19)27(26)22-9-5-3-7-20(22)21-8-4-6-10-23(21)27/h3-14H,15-16H2,1-2H3/t26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.27E+3	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, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22N50RJ
					More data for this Ligand-Target Pair
putative hexokinase HKDC1 (Homo sapiens (Human))	BDBM47938 ((4'S)-2'-(4-chlorophenyl)-1'-cyano-4'-(2-keto-2-me...) Show SMILES COC(=O)C[C@@]1(CN(C#N)N(c2ccc(Cl)cc2)C11c2ccccc2-c2ccccc12)C(=O)OC Show InChI InChI=1S/C27H22ClN3O4/c1-34-24(32)15-26(25(33)35-2)16-30(17-29)31(19-13-11-18(28)12-14-19)27(26)22-9-5-3-7-20(22)21-8-4-6-10-23(21)27/h3-14H,15-16H2,1-2H3/t26-/m1/s1	GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.35E+3	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, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2W094D4
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM47938 ((4'S)-2'-(4-chlorophenyl)-1'-cyano-4'-(2-keto-2-me...) Show SMILES COC(=O)C[C@@]1(CN(C#N)N(c2ccc(Cl)cc2)C11c2ccccc2-c2ccccc12)C(=O)OC Show InChI InChI=1S/C27H22ClN3O4/c1-34-24(32)15-26(25(33)35-2)16-30(17-29)31(19-13-11-18(28)12-14-19)27(26)22-9-5-3-7-20(22)21-8-4-6-10-23(21)27/h3-14H,15-16H2,1-2H3/t26-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TQN
					More data for this Ligand-Target Pair
XBP1 (Homo sapiens (Human))	BDBM47938 ((4'S)-2'-(4-chlorophenyl)-1'-cyano-4'-(2-keto-2-me...) Show SMILES COC(=O)C[C@@]1(CN(C#N)N(c2ccc(Cl)cc2)C11c2ccccc2-c2ccccc12)C(=O)OC Show InChI InChI=1S/C27H22ClN3O4/c1-34-24(32)15-26(25(33)35-2)16-30(17-29)31(19-13-11-18(28)12-14-19)27(26)22-9-5-3-7-20(22)21-8-4-6-10-23(21)27/h3-14H,15-16H2,1-2H3/t26-/m1/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CGB
					More data for this Ligand-Target Pair