Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'cIAP1-BIR3'   

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 [266-354] (Homo sapiens (Human))	BDBM17344 ((2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C24H33N5O5/c1-13(2)20(28-21(30)14(3)25)23(32)29-10-6-9-19(29)22(31)27-18(24(33)34)11-15-12-26-17-8-5-4-7-16(15)17/h4-5,7-8,12-14,18-20,26H,6,9-11,25H2,1-3H3,(H,27,31)(H,28,30)(H,33,34)/t14-,18-,19-,20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	30	-42.5	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech					Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...				ACS Chem Biol 1: 525-33 (2006) Article DOI: 10.1021/cb600276q BindingDB Entry DOI: 10.7270/Q2G15Z34
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 [266-354] (Homo sapiens (Human))	BDBM27919 (Azabicyclooctane scaffold, 14b | N-[(3aR,6S,6aS)-1...) Show SMILES [H][C@]12CC[C@H](NC(=O)c3cccc4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C28H38N4O3/c1-17(29-5)25(33)31-24(28(2,3)4)27(35)32-16-15-19-13-14-22(23(19)32)30-26(34)21-12-8-10-18-9-6-7-11-20(18)21/h6-12,17,19,22-24,29H,13-16H2,1-5H3,(H,30,34)(H,31,33)/t17-,19+,22-,23-,24+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc.					Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...				J Med Chem 52: 1723-30 (2009) Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 [266-354] (Homo sapiens (Human))	BDBM17345 ((3R,6S,9aR)-2,2-dimethyl-N-(3-methyl-1-phenyl-1H-p...) Show SMILES [H][C@@]12CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N1[C@H](C(=O)Nc1cc(C)nn1-c1ccccc1)C(C)(C)S2 |r| Show InChI InChI=1S/C25H34N6O3S/c1-15-14-19(31(29-15)17-10-7-6-8-11-17)28-23(33)21-25(3,4)35-20-13-9-12-18(24(34)30(20)21)27-22(32)16(2)26-5/h6-8,10-11,14,16,18,20-21,26H,9,12-13H2,1-5H3,(H,27,32)(H,28,33)/t16-,18-,20+,21+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	50	-41.3	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech					Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...				ACS Chem Biol 1: 525-33 (2006) Article DOI: 10.1021/cb600276q BindingDB Entry DOI: 10.7270/Q2G15Z34
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 [266-354] (Homo sapiens (Human))	BDBM17347 ((3R,6S,9aR)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-...) Show SMILES [H][C@@]12CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N1[C@@H](CS2)C(=O)Nc1cc(C)nn1-c1ccccc1 |r| Show InChI InChI=1S/C23H30N6O3S/c1-14-12-19(29(27-14)16-8-5-4-6-9-16)26-22(31)18-13-33-20-11-7-10-17(23(32)28(18)20)25-21(30)15(2)24-3/h4-6,8-9,12,15,17-18,20,24H,7,10-11,13H2,1-3H3,(H,25,30)(H,26,31)/t15-,17-,18-,20+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	110	-39.3	n/a	n/a	n/a	n/a	n/a	7.2	22
Genentech					Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...				ACS Chem Biol 1: 525-33 (2006) Article DOI: 10.1021/cb600276q BindingDB Entry DOI: 10.7270/Q2G15Z34
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 [266-354] (Homo sapiens (Human))	BDBM27918 ((2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-(2,2-diphenylacetam...) Show SMILES [H][C@]12CC[C@H](NC(=O)C(c3ccccc3)c3ccccc3)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r| Show InChI InChI=1S/C31H42N4O3/c1-20(32-5)28(36)34-27(31(2,3)4)30(38)35-19-18-23-16-17-24(26(23)35)33-29(37)25(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,20,23-27,32H,16-19H2,1-5H3,(H,33,37)(H,34,36)/t20-,23+,24-,26-,27+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc.					Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...				J Med Chem 52: 1723-30 (2009) Article DOI: 10.1021/jm801450c BindingDB Entry DOI: 10.7270/Q2WH2N9H
					More data for this Ligand-Target Pair