null

SMILES: [H]C12CC3([H])CC([H])(C1)CC(CNC(=O)CC1C[C@H](C(=O)N4CCN(CC4)C(=O)c4ccco4)[C@]4(CC)N(CCc5c4[nH]c4ccc(OC)cc54)C1=O)(C2)C3

InChI Key: InChIKey=YCSSTZUSMVEPLY-DDOKHGLHSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 83833   

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 kinase ABL1 (Homo sapiens (Human))	BDBM83833 (MLS002608893 | N-(1-adamantylmethyl)-2-[(1S,12bS)-...) Show SMILES [H]C12CC3([H])CC([H])(C1)CC(CNC(=O)CC1C[C@H](C(=O)N4CCN(CC4)C(=O)c4ccco4)[C@]4(CC)N(CCc5c4[nH]c4ccc(OC)cc54)C1=O)(C2)C3 |TLB:5:3:53:6.9.8,THB:2:3:9:1.53.8,2:1:9:3.54.5| Show InChI InChI=1S/C41H51N5O6/c1-3-41-32(38(49)44-10-12-45(13-11-44)39(50)34-5-4-14-52-34)18-28(19-35(47)42-24-40-21-25-15-26(22-40)17-27(16-25)23-40)37(48)46(41)9-8-30-31-20-29(51-2)6-7-33(31)43-36(30)41/h4-7,14,20,25-28,32,43H,3,8-13,15-19,21-24H2,1-2H3,(H,42,47)/t25?,26?,27?,28?,32-,40?,41+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.20E+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) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2RB736G
					More data for this Ligand-Target Pair
Orotidine 5'-phosphate decarboxylase (Aspergillus niger)	BDBM83833 (MLS002608893 | N-(1-adamantylmethyl)-2-[(1S,12bS)-...) Show SMILES [H]C12CC3([H])CC([H])(C1)CC(CNC(=O)CC1C[C@H](C(=O)N4CCN(CC4)C(=O)c4ccco4)[C@]4(CC)N(CCc5c4[nH]c4ccc(OC)cc54)C1=O)(C2)C3 |TLB:5:3:53:6.9.8,THB:2:3:9:1.53.8,2:1:9:3.54.5| Show InChI InChI=1S/C41H51N5O6/c1-3-41-32(38(49)44-10-12-45(13-11-44)39(50)34-5-4-14-52-34)18-28(19-35(47)42-24-40-21-25-15-26(22-40)17-27(16-25)23-40)37(48)46(41)9-8-30-31-20-29(51-2)6-7-33(31)43-36(30)41/h4-7,14,20,25-28,32,43H,3,8-13,15-19,21-24H2,1-2H3,(H,42,47)/t25?,26?,27?,28?,32-,40?,41+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>5.96E+4	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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2PK0DN5
					More data for this Ligand-Target Pair