BDBM76232 KI-SM::MLS002153719::SMR001231145::cid_24978594

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

InChI Key: InChIKey=USIZPIPXNBPTTR-XVMJNMPJSA-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 = 76232   

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))	BDBM76232 (KI-SM | MLS002153719 | SMR001231145 | cid_24978594) Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCSC)n1cc(CCO)nn1)n1cc(CCCCCN)nn1 Show InChI InChI=1S/C64H111N17O8S/c1-5-44-87-46-48-89-49-47-88-45-34-68-62-69-63(78-39-35-76(36-40-78)57(83)27-21-15-11-7-9-13-17-24-32-66-60(85)56(30-50-90-4)80-51-55(29-43-82)73-74-80)71-64(70-62)79-41-37-77(38-42-79)58(84)28-22-16-12-8-10-14-18-25-33-67-61(86)59(53(3)6-2)81-52-54(72-75-81)26-20-19-23-31-65/h1,51-53,56,59,82H,6-50,65H2,2-4H3,(H,66,85)(H,67,86)(H,68,69,70,71)/t53-,56+,59-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.43E+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))	BDBM76232 (KI-SM | MLS002153719 | SMR001231145 | cid_24978594) Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCSC)n1cc(CCO)nn1)n1cc(CCCCCN)nn1 Show InChI InChI=1S/C64H111N17O8S/c1-5-44-87-46-48-89-49-47-88-45-34-68-62-69-63(78-39-35-76(36-40-78)57(83)27-21-15-11-7-9-13-17-24-32-66-60(85)56(30-50-90-4)80-51-55(29-43-82)73-74-80)71-64(70-62)79-41-37-77(38-42-79)58(84)28-22-16-12-8-10-14-18-25-33-67-61(86)59(53(3)6-2)81-52-54(72-75-81)26-20-19-23-31-65/h1,51-53,56,59,82H,6-50,65H2,2-4H3,(H,66,85)(H,67,86)(H,68,69,70,71)/t53-,56+,59-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.89E+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 (2010) BindingDB Entry DOI: 10.7270/Q2DB809V
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM76232 (KI-SM | MLS002153719 | SMR001231145 | cid_24978594) Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCSC)n1cc(CCO)nn1)n1cc(CCCCCN)nn1 Show InChI InChI=1S/C64H111N17O8S/c1-5-44-87-46-48-89-49-47-88-45-34-68-62-69-63(78-39-35-76(36-40-78)57(83)27-21-15-11-7-9-13-17-24-32-66-60(85)56(30-50-90-4)80-51-55(29-43-82)73-74-80)71-64(70-62)79-41-37-77(38-42-79)58(84)28-22-16-12-8-10-14-18-25-33-67-61(86)59(53(3)6-2)81-52-54(72-75-81)26-20-19-23-31-65/h1,51-53,56,59,82H,6-50,65H2,2-4H3,(H,66,85)(H,67,86)(H,68,69,70,71)/t53-,56+,59-/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	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))	BDBM76232 (KI-SM | MLS002153719 | SMR001231145 | cid_24978594) Show SMILES CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCSC)n1cc(CCO)nn1)n1cc(CCCCCN)nn1 Show InChI InChI=1S/C64H111N17O8S/c1-5-44-87-46-48-89-49-47-88-45-34-68-62-69-63(78-39-35-76(36-40-78)57(83)27-21-15-11-7-9-13-17-24-32-66-60(85)56(30-50-90-4)80-51-55(29-43-82)73-74-80)71-64(70-62)79-41-37-77(38-42-79)58(84)28-22-16-12-8-10-14-18-25-33-67-61(86)59(53(3)6-2)81-52-54(72-75-81)26-20-19-23-31-65/h1,51-53,56,59,82H,6-50,65H2,2-4H3,(H,66,85)(H,67,86)(H,68,69,70,71)/t53-,56+,59-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	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