BDBM31196 spiro-oxindole, 1

SMILES: CN(C)C(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@@]2([C@H]1c1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc21

InChI Key: InChIKey=XTJVNDMNVIYGHY-QDMVCWPOSA-N

Data: 4 KI  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 5 hits for monomerid = 31196   

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
MDM2-MDMX (Homo sapiens (Human))	BDBM31196 (spiro-oxindole, 1) Show SMILES CN(C)C(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@@]2([C@H]1c1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc21 |r| Show InChI InChI=1S/C25H29Cl2N3O2/c1-24(2,3)13-19-25(17-10-9-16(27)12-18(17)28-23(25)32)20(14-7-6-8-15(26)11-14)21(29-19)22(31)30(4)5/h6-12,19-21,29H,13H2,1-5H3,(H,28,32)/t19-,20+,21-,25+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of p53 protein binding to MDM2 (unknown origin) by western blot analysis				Eur J Med Chem 176: 92-104 (2019) Article DOI: 10.1016/j.ejmech.2019.05.018
					More data for this Ligand-Target Pair
MDM2-MDMX (Homo sapiens (Human))	BDBM31196 (spiro-oxindole, 1) Show SMILES CN(C)C(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@@]2([C@H]1c1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc21 |r| Show InChI InChI=1S/C25H29Cl2N3O2/c1-24(2,3)13-19-25(17-10-9-16(27)12-18(17)28-23(25)32)20(14-7-6-8-15(26)11-14)21(29-19)22(31)30(4)5/h6-12,19-21,29H,13H2,1-5H3,(H,28,32)/t19-,20+,21-,25+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	86	-9.57	n/a	n/a	n/a	n/a	n/a	7.5	23
University of Michigan					Assay Description The dose-dependent binding experiments were carried out with serial dilutions of the tested compounds in DMSO. A 5 ul sample of the tested samples an...				J Med Chem 49: 3432-5 (2006) Article DOI: 10.1021/jm051122a BindingDB Entry DOI: 10.7270/Q24F1P3B
					More data for this Ligand-Target Pair
MDM2-MDMX (Homo sapiens (Human))	BDBM31196 (spiro-oxindole, 1) Show SMILES CN(C)C(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@@]2([C@H]1c1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc21 |r| Show InChI InChI=1S/C25H29Cl2N3O2/c1-24(2,3)13-19-25(17-10-9-16(27)12-18(17)28-23(25)32)20(14-7-6-8-15(26)11-14)21(29-19)22(31)30(4)5/h6-12,19-21,29H,13H2,1-5H3,(H,28,32)/t19-,20+,21-,25+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	86	-9.57	n/a	n/a	n/a	n/a	n/a	7.5	23
University of Michigan					Assay Description The dose-dependent binding experiments were carried out with serial dilutions of the tested compounds in DMSO. A 5 ul sample of the tested samples an...				J Med Chem 49: 3759-62 (2006) Article DOI: 10.1021/jm060023+ BindingDB Entry DOI: 10.7270/Q20P0XCM
					More data for this Ligand-Target Pair
MDM2-MDMX (Homo sapiens (Human))	BDBM31196 (spiro-oxindole, 1) Show SMILES CN(C)C(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@@]2([C@H]1c1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc21 |r| Show InChI InChI=1S/C25H29Cl2N3O2/c1-24(2,3)13-19-25(17-10-9-16(27)12-18(17)28-23(25)32)20(14-7-6-8-15(26)11-14)21(29-19)22(31)30(4)5/h6-12,19-21,29H,13H2,1-5H3,(H,28,32)/t19-,20+,21-,25+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of wild type p53 protein binding to MDM2 in human HCT116 cells by immunoblot analysis				Eur J Med Chem 176: 92-104 (2019) Article DOI: 10.1016/j.ejmech.2019.05.018
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM31196 (spiro-oxindole, 1) Show SMILES CN(C)C(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@@]2([C@H]1c1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc21 |r| Show InChI InChI=1S/C25H29Cl2N3O2/c1-24(2,3)13-19-25(17-10-9-16(27)12-18(17)28-23(25)32)20(14-7-6-8-15(26)11-14)21(29-19)22(31)30(4)5/h6-12,19-21,29H,13H2,1-5H3,(H,28,32)/t19-,20+,21-,25+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.90E+4	n/a	n/a	7.4	23
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q21N7ZG0
					More data for this Ligand-Target Pair