BDBM50256931 CHEMBL1186032

SMILES: [H][C@@]12CCC=C(COC(=O)c3ccc[nH]3)[C@]1(C)CC[C@H](C)[C@@]2(C)CC\C(C)=C\Cn1c[n+](C)c2ncnc(N)c12

InChI Key: InChIKey=NNJSZZQHXOEUSF-ASNXGRPXSA-O

Data: 4 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 4 hits for monomerid = 50256931   

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
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM50256931 (CHEMBL1186032) Show SMILES [H][C@@]12CCC=C(COC(=O)c3ccc[nH]3)[C@]1(C)CC[C@H](C)[C@@]2(C)CC\C(C)=C\Cn1c[n+](C)c2ncnc(N)c12 |r,t:4| Show InChI InChI=1S/C31H42N6O2/c1-21(13-17-37-20-36(5)28-26(37)27(32)34-19-35-28)11-14-30(3)22(2)12-15-31(4)23(8-6-10-25(30)31)18-39-29(38)24-9-7-16-33-24/h7-9,13,16,19-20,22,25H,6,10-12,14-15,17-18H2,1-5H3,(H2-,32,33,34,35,38)/p+1/b21-13+/t22-,25-,30+,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Natural Product Chemistry, Faculty of Pharmaceutical Sciences, Tohoku Medical and Pharmaceutical University, Aoba-ku, Sendai 981-8558, Japan. Electronic address: yamazaki@tohoku-mpu.ac. Curated by ChEMBL					Assay Description Inhibition of human recombinant TCPTP (1 to 317 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by ...				Bioorg Med Chem Lett 27: 2207-2209 (2017) Article DOI: 10.1016/j.bmcl.2017.03.033 BindingDB Entry DOI: 10.7270/Q2XP77DT
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50256931 (CHEMBL1186032) Show SMILES [H][C@@]12CCC=C(COC(=O)c3ccc[nH]3)[C@]1(C)CC[C@H](C)[C@@]2(C)CC\C(C)=C\Cn1c[n+](C)c2ncnc(N)c12 |r,t:4| Show InChI InChI=1S/C31H42N6O2/c1-21(13-17-37-20-36(5)28-26(37)27(32)34-19-35-28)11-14-30(3)22(2)12-15-31(4)23(8-6-10-25(30)31)18-39-29(38)24-9-7-16-33-24/h7-9,13,16,19-20,22,25H,6,10-12,14-15,17-18H2,1-5H3,(H2-,32,33,34,35,38)/p+1/b21-13+/t22-,25-,30+,31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Natural Product Chemistry, Faculty of Pharmaceutical Sciences, Tohoku Medical and Pharmaceutical University, Aoba-ku, Sendai 981-8558, Japan. Electronic address: yamazaki@tohoku-mpu.ac. Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B (1 to 322 residues) expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by ...				Bioorg Med Chem Lett 27: 2207-2209 (2017) Article DOI: 10.1016/j.bmcl.2017.03.033 BindingDB Entry DOI: 10.7270/Q2XP77DT
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase 3 (Homo sapiens (Human))	BDBM50256931 (CHEMBL1186032) Show SMILES [H][C@@]12CCC=C(COC(=O)c3ccc[nH]3)[C@]1(C)CC[C@H](C)[C@@]2(C)CC\C(C)=C\Cn1c[n+](C)c2ncnc(N)c12 |r,t:4| Show InChI InChI=1S/C31H42N6O2/c1-21(13-17-37-20-36(5)28-26(37)27(32)34-19-35-28)11-14-30(3)22(2)12-15-31(4)23(8-6-10-25(30)31)18-39-29(38)24-9-7-16-33-24/h7-9,13,16,19-20,22,25H,6,10-12,14-15,17-18H2,1-5H3,(H2-,32,33,34,35,38)/p+1/b21-13+/t22-,25-,30+,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Natural Product Chemistry, Faculty of Pharmaceutical Sciences, Tohoku Medical and Pharmaceutical University, Aoba-ku, Sendai 981-8558, Japan. Electronic address: yamazaki@tohoku-mpu.ac. Curated by ChEMBL					Assay Description Inhibition of human recombinant VHR expressed in Escherichia coli using pNPP as substrate preincubated for 10 mins followed by substrate addition mea...				Bioorg Med Chem Lett 27: 2207-2209 (2017) Article DOI: 10.1016/j.bmcl.2017.03.033 BindingDB Entry DOI: 10.7270/Q2XP77DT
					More data for this Ligand-Target Pair
Leukocyte common antigen (Homo sapiens (Human))	BDBM50256931 (CHEMBL1186032) Show SMILES [H][C@@]12CCC=C(COC(=O)c3ccc[nH]3)[C@]1(C)CC[C@H](C)[C@@]2(C)CC\C(C)=C\Cn1c[n+](C)c2ncnc(N)c12 |r,t:4| Show InChI InChI=1S/C31H42N6O2/c1-21(13-17-37-20-36(5)28-26(37)27(32)34-19-35-28)11-14-30(3)22(2)12-15-31(4)23(8-6-10-25(30)31)18-39-29(38)24-9-7-16-33-24/h7-9,13,16,19-20,22,25H,6,10-12,14-15,17-18H2,1-5H3,(H2-,32,33,34,35,38)/p+1/b21-13+/t22-,25-,30+,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Natural Product Chemistry, Faculty of Pharmaceutical Sciences, Tohoku Medical and Pharmaceutical University, Aoba-ku, Sendai 981-8558, Japan. Electronic address: yamazaki@tohoku-mpu.ac. Curated by ChEMBL					Assay Description Inhibition of human recombinant CD45 using pNPP as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins				Bioorg Med Chem Lett 27: 2207-2209 (2017) Article DOI: 10.1016/j.bmcl.2017.03.033 BindingDB Entry DOI: 10.7270/Q2XP77DT
					More data for this Ligand-Target Pair