Compile Data Set for Download or QSAR

Found 8 hits of kd data for polymerid = 6600   

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
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50393508 (CHEMBL2158054) Show SMILES CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCCCCCCCNC(=O)c2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)nn1)c1ccccc1)C(=O)CC(C)C |r,wU:2.2,15.20,22.23,12.16,7.6,(2.82,-34.14,;2.26,-32.71,;.74,-32.47,;-.23,-33.67,;.18,-31.04,;-1.34,-30.8,;1.14,-29.83,;.58,-28.4,;-.96,-28.37,;-2.02,-27.25,;-1.99,-25.7,;-.87,-24.63,;.67,-24.67,;1.4,-23.32,;2.91,-23.59,;3.13,-25.11,;1.74,-25.79,;1.7,-27.33,;3.11,-27.95,;4.49,-25.84,;4.54,-27.38,;5.6,-24.78,;7.08,-25.21,;7.56,-26.68,;9.01,-27.15,;9.01,-28.69,;10.33,-29.49,;11.68,-28.74,;13,-29.54,;14.35,-28.79,;15.67,-29.59,;17.02,-28.84,;18.34,-29.64,;19.69,-28.89,;21.01,-29.68,;22.36,-28.93,;23.68,-29.73,;25.03,-28.98,;25.06,-27.44,;26.35,-29.78,;26.31,-31.32,;27.63,-32.11,;28.98,-31.37,;29.01,-29.82,;27.69,-29.03,;29.76,-28.47,;28.98,-27.15,;31.31,-28.46,;30.3,-32.16,;31.64,-31.41,;31.66,-29.89,;32.99,-29.13,;34.32,-29.92,;35.67,-29.17,;34.3,-31.46,;32.96,-32.2,;32.94,-33.74,;31.59,-34.5,;31.56,-36.02,;30.22,-36.76,;30.2,-38.3,;28.9,-35.97,;28.93,-34.44,;30.28,-33.7,;7.55,-29.17,;6.64,-27.92,;8.2,-24.15,;9.67,-24.58,;10.79,-23.53,;10.42,-22.03,;8.94,-21.59,;7.83,-22.66,;-3.52,-27.61,;-4.58,-26.5,;-3.95,-29.09,;-5.45,-29.46,;-5.88,-30.94,;-6.52,-28.35,)| Show InChI InChI=1S/C59H71N9O10/c1-36(2)30-52(71)66-29-26-40-19-25-49(68(40)58(75)48(34-66)62-55(72)37(3)60-4)57(74)63-54(38-16-12-11-13-17-38)47-35-67(65-64-47)28-15-10-8-6-5-7-9-14-27-61-56(73)39-18-22-43(46(31-39)59(76)77)53-44-23-20-41(69)32-50(44)78-51-33-42(70)21-24-45(51)53/h11-13,16-18,20-24,31-33,35-37,40,48-49,54,60,69H,5-10,14-15,19,25-30,34H2,1-4H3,(H,61,73)(H,62,72)(H,63,74)(H,76,77)/t37-,40+,48-,49-,54-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to human cIAP1 BIR3 domain expressed in Escherichia coli BL21(DE3) assessed as dissociation constant after 2 to 3 hrs by fluorescenc...				J Med Chem 54: 2714-26 (2011) Article DOI: 10.1021/jm101505d BindingDB Entry DOI: 10.7270/Q2H70GXK
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50071920 (Birinapant | TL-32711) Show SMILES CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](O)C[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1[nH]c2cc(F)ccc2c1C[C@@H]1C[C@H](O)CN1C(=O)[C@H](CC)NC(=O)[C@H](C)NC |r| Show InChI InChI=1S/C42H56F2N8O6/c1-7-33(49-39(55)21(3)45-5)41(57)51-19-27(53)15-25(51)17-31-29-11-9-23(43)13-35(29)47-37(31)38-32(30-12-10-24(44)14-36(30)48-38)18-26-16-28(54)20-52(26)42(58)34(8-2)50-40(56)22(4)46-6/h9-14,21-22,25-28,33-34,45-48,53-54H,7-8,15-20H2,1-6H3,(H,49,55)(H,50,56)/t21-,22-,25-,26-,27-,28-,33-,34-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1	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))	BDBM50512889 (CHEMBL4518625) Show SMILES [H][C@]12C[C@H](CN1C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCC(F)(F)CC1)C(=O)N[C@H]1CCOc2ccccc12)OCC |r| Show InChI InChI=1S/C31H45F2N5O5/c1-4-42-22-15-21-16-38(30(41)27(36-28(39)19(2)34-3)20-9-12-31(32,33)13-10-20)25(18-37(21)17-22)29(40)35-24-11-14-43-26-8-6-5-7-23(24)26/h5-8,19-22,24-25,27,34H,4,9-18H2,1-3H3,(H,35,40)(H,36,39)/t19-,21+,22+,24-,25-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.30	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))	BDBM50512893 (CHEMBL4460096) Show SMILES [H][C@]12Cc3cc(Cl)ccc3N1C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](CC)NC)C1CCCCC1)C(=O)N[C@H]1CCOc2ccccc12 |r| Show InChI InChI=1S/C34H44ClN5O4/c1-3-26(36-2)32(41)38-31(21-9-5-4-6-10-21)34(43)40-19-24-18-22-17-23(35)13-14-28(22)39(24)20-29(40)33(42)37-27-15-16-44-30-12-8-7-11-25(27)30/h7-8,11-14,17,21,24,26-27,29,31,36H,3-6,9-10,15-16,18-20H2,1-2H3,(H,37,42)(H,38,41)/t24-,26+,27+,29+,31+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.80	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))	BDBM50546196 (CHEBI:47922 | CHEMBL2048500) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)OC |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to c-IAP1-BIR3 (unknown origin) (124 to 240 residues) expressed in Escherichia coli BL21-Gold (DE3) by surface plasmon resonance ass...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00093 BindingDB Entry DOI: 10.7270/Q2MC93N5
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50441356 (CHEMBL2431768) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H33FN4O3S/c1-16(28-2)24(33)30-22(17-7-4-3-5-8-17)26(34)31-14-6-9-21(31)25-29-20(15-35-25)23(32)18-10-12-19(27)13-11-18/h10-13,15-17,21-22,28H,3-9,14H2,1-2H3,(H,30,33)/t16-,21-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	10	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				3D Structure (crystal)
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50388975 (CHEMBL2063869) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1 |r| Show InChI InChI=1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	17	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))	BDBM32580 (CS-3) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CC[C@H](C)[C@H]1C(=O)Nc1ccccc1-c1ncccn1 |r| Show InChI InChI=1S/C28H38N6O3/c1-18-14-17-34(28(37)23(20-10-5-4-6-11-20)33-26(35)19(2)29-3)24(18)27(36)32-22-13-8-7-12-21(22)25-30-15-9-16-31-25/h7-9,12-13,15-16,18-20,23-24,29H,4-6,10-11,14,17H2,1-3H3,(H,32,36)(H,33,35)/t18-,19-,23-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	85	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