Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Baculoviral IAP repeat-containing protein 2' and Ligand = 'BDBM50495462'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50495462 (CHEMBL3108931) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@@H](Cc2ccccc12)OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(C)(C)C |r| Show InChI InChI=1S/C54H74N8O8/c1-33(55-9)47(63)59-45(53(3,4)5)51(67)61-27-19-25-39(61)49(65)57-43-37-23-15-13-21-35(37)31-41(43)69-29-17-11-12-18-30-70-42-32-36-22-14-16-24-38(36)44(42)58-50(66)40-26-20-28-62(40)52(68)46(54(6,7)8)60-48(64)34(2)56-10/h13-16,21-24,33-34,39-46,55-56H,19-20,25-32H2,1-10H3,(H,57,65)(H,58,66)(H,59,63)(H,60,64)/t33-,34-,39-,40-,41+,42+,43-,44-,45+,46+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Ningxia Medical University Curated by ChEMBL					Assay Description Binding affinity to cIAP1-BIR3 domain (unknown origin)				J Med Chem 62: 5750-5772 (2019) Article DOI: 10.1021/acs.jmedchem.8b01668 BindingDB Entry DOI: 10.7270/Q21R6TVX
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50495462 (CHEMBL3108931) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@@H](Cc2ccccc12)OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(C)(C)C |r| Show InChI InChI=1S/C54H74N8O8/c1-33(55-9)47(63)59-45(53(3,4)5)51(67)61-27-19-25-39(61)49(65)57-43-37-23-15-13-21-35(37)31-41(43)69-29-17-11-12-18-30-70-42-32-36-22-14-16-24-38(36)44(42)58-50(66)40-26-20-28-62(40)52(68)46(54(6,7)8)60-48(64)34(2)56-10/h13-16,21-24,33-34,39-46,55-56H,19-20,25-32H2,1-10H3,(H,57,65)(H,58,66)(H,59,63)(H,60,64)/t33-,34-,39-,40-,41+,42+,43-,44-,45+,46+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.400	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to cIAP1 in human MDA-MB-231 cells assessed as induction of protein degradation after 1 hr by ELISA				J Med Chem 56: 9897-919 (2013) Article DOI: 10.1021/jm401075x BindingDB Entry DOI: 10.7270/Q23T9M6C
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50495462 (CHEMBL3108931) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@@H](Cc2ccccc12)OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(C)(C)C |r| Show InChI InChI=1S/C54H74N8O8/c1-33(55-9)47(63)59-45(53(3,4)5)51(67)61-27-19-25-39(61)49(65)57-43-37-23-15-13-21-35(37)31-41(43)69-29-17-11-12-18-30-70-42-32-36-22-14-16-24-38(36)44(42)58-50(66)40-26-20-28-62(40)52(68)46(54(6,7)8)60-48(64)34(2)56-10/h13-16,21-24,33-34,39-46,55-56H,19-20,25-32H2,1-10H3,(H,57,65)(H,58,66)(H,59,63)(H,60,64)/t33-,34-,39-,40-,41+,42+,43-,44-,45+,46+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.100	n/a	n/a	n/a	n/a
Ningxia Medical University Curated by ChEMBL					Assay Description Induction of cIAP1 (unknown origin) degradation				J Med Chem 62: 5750-5772 (2019) Article DOI: 10.1021/acs.jmedchem.8b01668 BindingDB Entry DOI: 10.7270/Q21R6TVX
					More data for this Ligand-Target Pair