Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'gandhi' and Initial = 'k'   

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
Plasma kallikrein (Homo sapiens (Human))	BDBM408717 ( N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-3-(met...) Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F Show InChI InChI=1S/C26H26FN5O4/c1-35-17-22-20(26(34)29-13-21-25(27)23(36-2)10-11-28-21)16-32(30-22)15-19-8-6-18(7-9-19)14-31-12-4-3-5-24(31)33/h3-12,16H,13-15,17H2,1-2H3,(H,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BG2SXX
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM528099 (1-({4-[(5-fluoro-2-oxopyridin-1-yl)methyl]phenyl}m...) Show SMILES COCc1nn(Cc2ccc(Cn3cc(F)ccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BG2SXX
					More data for this Ligand-Target Pair
Protein cereblon (Homo sapiens (Human))	BDBM65454 (191732-72-6 | CC-5013 | Lenalidomide | Revimid | R...) Show SMILES Nc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O Show InChI InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Celgene					Assay Description To measure compound binding to endogenous CRBN.				Leukemia 26: 2326-35 (2012) Article DOI: 10.1038/leu.2012.119 BindingDB Entry DOI: 10.7270/Q26971RH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein cereblon (Homo sapiens (Human))	BDBM65456 (19171-19-8 | 4-amino-2-(2,6-dioxopiperidin-3-yl)is...) Show SMILES Nc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 Show InChI InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Celgene					Assay Description To measure compound binding to endogenous CRBN.				Leukemia 26: 2326-35 (2012) Article DOI: 10.1038/leu.2012.119 BindingDB Entry DOI: 10.7270/Q26971RH
					More data for this Ligand-Target Pair
DNA damage-binding protein 1/Protein cereblon (Homo sapiens (Human))	BDBM65456 (19171-19-8 | 4-amino-2-(2,6-dioxopiperidin-3-yl)is...) Show SMILES Nc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 Show InChI InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	8.0	70
Celgene					Assay Description Thermal stabilities of CRBN-DDB1 in the presence or absence of phthalimide, thalidomide, lenalidomide and pomalidomide were done in the presence of S...				Leukemia 26: 2326-35 (2012) Article DOI: 10.1038/leu.2012.119 BindingDB Entry DOI: 10.7270/Q26971RH
					More data for this Ligand-Target Pair
DNA damage-binding protein 1/Protein cereblon (Homo sapiens (Human))	BDBM65454 (191732-72-6 | CC-5013 | Lenalidomide | Revimid | R...) Show SMILES Nc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O Show InChI InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	8.0	70
Celgene					Assay Description Thermal stabilities of CRBN-DDB1 in the presence or absence of phthalimide, thalidomide, lenalidomide and pomalidomide were done in the presence of S...				Leukemia 26: 2326-35 (2012) Article DOI: 10.1038/leu.2012.119 BindingDB Entry DOI: 10.7270/Q26971RH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein cereblon (Homo sapiens (Human))	BDBM65457 ((-)-Thalidomide | (S)-Thalidomide) Show SMILES O=C1N([C@H]2CCC(=O)NC2=O)C(=O)c2ccccc12 Show InChI InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)/t9-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Celgene					Assay Description To measure compound binding to endogenous CRBN.				Leukemia 26: 2326-35 (2012) Article DOI: 10.1038/leu.2012.119 BindingDB Entry DOI: 10.7270/Q26971RH
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA damage-binding protein 1 (Homo sapiens (Human))	BDBM50070114 ((+/-)-thalidomide | 2-(2,6-Dioxo-piperidin-3-yl)-i...) Show SMILES O=C1N(C2CCC(=O)NC2=O)C(=O)c2ccccc12 Show InChI InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	8.0	70
Celgene					Assay Description Thermal stabilities of CRBN-DDB1 in the presence or absence of phthalimide, thalidomide, lenalidomide and pomalidomide were done in the presence of S...				Leukemia 26: 2326-35 (2012) Article DOI: 10.1038/leu.2012.119 BindingDB Entry DOI: 10.7270/Q26971RH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor XII (Homo sapiens (Human))	BDBM408717 ( N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-3-(met...) Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F Show InChI InChI=1S/C26H26FN5O4/c1-35-17-22-20(26(34)29-13-21-25(27)23(36-2)10-11-28-21)16-32(30-22)15-19-8-6-18(7-9-19)14-31-12-4-3-5-24(31)33/h3-12,16H,13-15,17H2,1-2H3,(H,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Factor XIIa inhibitory activity in vitro was determined using standard published methods (see e.g. Shori et al., Biochem. Pharmacol., 1992, 43, 1209;...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BG2SXX
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM408717 ( N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-3-(met...) Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F Show InChI InChI=1S/C26H26FN5O4/c1-35-17-22-20(26(34)29-13-21-25(27)23(36-2)10-11-28-21)16-32(30-22)15-19-8-6-18(7-9-19)14-31-12-4-3-5-24(31)33/h3-12,16H,13-15,17H2,1-2H3,(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FXIa inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BG2SXX
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM528099 (1-({4-[(5-fluoro-2-oxopyridin-1-yl)methyl]phenyl}m...) Show SMILES COCc1nn(Cc2ccc(Cn3cc(F)ccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Human serine protease enzymes plasmin, thrombin and trypsin were assayed for enzymatic activity using an appropriate fluorogenic substrate. Protease ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BG2SXX
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM408717 ( N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-3-(met...) Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F Show InChI InChI=1S/C26H26FN5O4/c1-35-17-22-20(26(34)29-13-21-25(27)23(36-2)10-11-28-21)16-32(30-22)15-19-8-6-18(7-9-19)14-31-12-4-3-5-24(31)33/h3-12,16H,13-15,17H2,1-2H3,(H,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BG2SXX
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM528099 (1-({4-[(5-fluoro-2-oxopyridin-1-yl)methyl]phenyl}m...) Show SMILES COCc1nn(Cc2ccc(Cn3cc(F)ccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BG2SXX
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM528099 (1-({4-[(5-fluoro-2-oxopyridin-1-yl)methyl]phenyl}m...) Show SMILES COCc1nn(Cc2ccc(Cn3cc(F)ccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FXIa inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BG2SXX
					More data for this Ligand-Target Pair
Coagulation factor XII (Homo sapiens (Human))	BDBM528099 (1-({4-[(5-fluoro-2-oxopyridin-1-yl)methyl]phenyl}m...) Show SMILES COCc1nn(Cc2ccc(Cn3cc(F)ccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Factor XIIa inhibitory activity in vitro was determined using standard published methods (see e.g. Shori et al., Biochem. Pharmacol., 1992, 43, 1209;...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BG2SXX
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM528099 (1-({4-[(5-fluoro-2-oxopyridin-1-yl)methyl]phenyl}m...) Show SMILES COCc1nn(Cc2ccc(Cn3cc(F)ccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Human serine protease enzymes plasmin, thrombin and trypsin were assayed for enzymatic activity using an appropriate fluorogenic substrate. Protease ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BG2SXX
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM528099 (1-({4-[(5-fluoro-2-oxopyridin-1-yl)methyl]phenyl}m...) Show SMILES COCc1nn(Cc2ccc(Cn3cc(F)ccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Human serine protease enzymes plasmin, thrombin and trypsin were assayed for enzymatic activity using an appropriate fluorogenic substrate. Protease ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BG2SXX
					More data for this Ligand-Target Pair
Protein cereblon (Homo sapiens (Human))	BDBM65362 ((+)-Thalidomide | (R)-(+)-thalidomide | (R)-Thalid...) Show SMILES O=C1N([C@@H]2CCC(=O)NC2=O)C(=O)c2ccccc12 Show InChI InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)/t9-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Celgene					Assay Description To measure compound binding to endogenous CRBN.				Leukemia 26: 2326-35 (2012) Article DOI: 10.1038/leu.2012.119 BindingDB Entry DOI: 10.7270/Q26971RH
					More data for this Ligand-Target Pair				3D Structure (crystal)