BDBM76244 MLS002153700::SM-TG::SMR001231078::cid_25163005

SMILES: CSCC[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(C[C@@H](C)O)nn1)n1cc(CCO)nn1

InChI Key: InChIKey=BCZXNAORPMNPBG-AGJUUEJKSA-N

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 = 76244   

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
Intestinal alkaline phosphatase (Homo sapiens (Human))	BDBM76244 (MLS002153700 | SM-TG | SMR001231078 | cid_25163005) Show SMILES CSCC[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(C[C@@H](C)O)nn1)n1cc(CCO)nn1 Show InChI InChI=1S/C58H98N16O9S/c1-4-37-81-39-41-83-42-40-82-38-27-61-56-62-57(71-32-28-69(29-33-71)53(78)21-17-13-9-5-7-11-15-19-25-59-52(77)47-73-45-50(66-67-73)44-48(2)76)64-58(63-56)72-34-30-70(31-35-72)54(79)22-18-14-10-6-8-12-16-20-26-60-55(80)51(24-43-84-3)74-46-49(23-36-75)65-68-74/h1,45-46,48,51,75-76H,5-44,47H2,2-3H3,(H,59,77)(H,60,80)(H,61,62,63,64)/t48-,51-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.63E+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 (2010) BindingDB Entry DOI: 10.7270/Q2X63KDM
					More data for this Ligand-Target Pair
Alpi (Rattus norvegicus (Rat))	BDBM76244 (MLS002153700 | SM-TG | SMR001231078 | cid_25163005) Show SMILES CSCC[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(C[C@@H](C)O)nn1)n1cc(CCO)nn1 Show InChI InChI=1S/C58H98N16O9S/c1-4-37-81-39-41-83-42-40-82-38-27-61-56-62-57(71-32-28-69(29-33-71)53(78)21-17-13-9-5-7-11-15-19-25-59-52(77)47-73-45-50(66-67-73)44-48(2)76)64-58(63-56)72-34-30-70(31-35-72)54(79)22-18-14-10-6-8-12-16-20-26-60-55(80)51(24-43-84-3)74-46-49(23-36-75)65-68-74/h1,45-46,48,51,75-76H,5-44,47H2,2-3H3,(H,59,77)(H,60,80)(H,61,62,63,64)/t48-,51-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.76E+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 (2010) BindingDB Entry DOI: 10.7270/Q2DB809V
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM76244 (MLS002153700 | SM-TG | SMR001231078 | cid_25163005) Show SMILES CSCC[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(C[C@@H](C)O)nn1)n1cc(CCO)nn1 Show InChI InChI=1S/C58H98N16O9S/c1-4-37-81-39-41-83-42-40-82-38-27-61-56-62-57(71-32-28-69(29-33-71)53(78)21-17-13-9-5-7-11-15-19-25-59-52(77)47-73-45-50(66-67-73)44-48(2)76)64-58(63-56)72-34-30-70(31-35-72)54(79)22-18-14-10-6-8-12-16-20-26-60-55(80)51(24-43-84-3)74-46-49(23-36-75)65-68-74/h1,45-46,48,51,75-76H,5-44,47H2,2-3H3,(H,59,77)(H,60,80)(H,61,62,63,64)/t48-,51-/m1/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.73E+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 (2010) BindingDB Entry DOI: 10.7270/Q2H130G1
					More data for this Ligand-Target Pair
Alkaline phosphatase placental-like (Homo sapiens (Human))	BDBM76244 (MLS002153700 | SM-TG | SMR001231078 | cid_25163005) Show SMILES CSCC[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(C[C@@H](C)O)nn1)n1cc(CCO)nn1 Show InChI InChI=1S/C58H98N16O9S/c1-4-37-81-39-41-83-42-40-82-38-27-61-56-62-57(71-32-28-69(29-33-71)53(78)21-17-13-9-5-7-11-15-19-25-59-52(77)47-73-45-50(66-67-73)44-48(2)76)64-58(63-56)72-34-30-70(31-35-72)54(79)22-18-14-10-6-8-12-16-20-26-60-55(80)51(24-43-84-3)74-46-49(23-36-75)65-68-74/h1,45-46,48,51,75-76H,5-44,47H2,2-3H3,(H,59,77)(H,60,80)(H,61,62,63,64)/t48-,51-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.99E+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 (2010) BindingDB Entry DOI: 10.7270/Q2NS0SCW
					More data for this Ligand-Target Pair