Compile Data Set for Download or QSAR

Found 26 hits with Last Name = 'akamatsu' and Initial = 's'   

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
Vasopressin V2 receptor (Rattus norvegicus (Rat))	BDBM35709 (YM-35278) Show SMILES FC1(F)CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2\C1=C\C(=O)NCc1ccccn1 Show InChI InChI=1S/C38H30F2N4O3/c39-38(40)21-23-44(34-16-7-6-15-32(34)33(38)24-35(45)42-25-29-12-8-9-22-41-29)37(47)27-17-19-28(20-18-27)43-36(46)31-14-5-4-13-30(31)26-10-2-1-3-11-26/h1-20,22,24H,21,23,25H2,(H,42,45)(H,43,46)/b33-24-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.400	-53.3	n/a	n/a	n/a	n/a	n/a	7.4	23
Astellas Pharma Inc.					Assay Description The affinities of test compounds for human V2 receptor were evaluated by the radioligand binding study using membrane fractions isolated from CHO cel...				Bioorg Med Chem 16: 9524-35 (2008) Article DOI: 10.1016/j.bmc.2008.09.039 BindingDB Entry DOI: 10.7270/Q2125R12
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM35673 (5H-1-benzazepin-5-ylidene acetamide, 1a | BMC16952...) Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1 Show InChI InChI=1S/C29H24ClF2N5O2/c1-19-11-14-37(35-19)21-9-10-23(25(30)16-21)28(39)36-15-12-29(31,32)24(22-7-2-3-8-26(22)36)17-27(38)34-18-20-6-4-5-13-33-20/h2-11,13-14,16-17H,12,15,18H2,1H3,(H,34,38)/b24-17-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.80	-47.2	n/a	n/a	1.80	n/a	n/a	7.4	23
Astellas Pharma Inc.					Assay Description The affinities of test compounds for human V2 receptor were evaluated by the radioligand binding study using membrane fractions isolated from CHO cel...				Bioorg Med Chem 16: 9524-35 (2008) Article DOI: 10.1016/j.bmc.2008.09.039 BindingDB Entry DOI: 10.7270/Q2125R12
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM35700 (5H-1-benzazepin-5-ylidene acetamide, 10g) Show SMILES Cc1ccnn1-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1 Show InChI InChI=1S/C29H24ClF2N5O2/c1-19-11-14-35-37(19)21-9-10-23(25(30)16-21)28(39)36-15-12-29(31,32)24(22-7-2-3-8-26(22)36)17-27(38)34-18-20-6-4-5-13-33-20/h2-11,13-14,16-17H,12,15,18H2,1H3,(H,34,38)/b24-17-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	-46.6	n/a	n/a	>1.00E+4	n/a	n/a	7.4	23
Astellas Pharma Inc.					Assay Description The affinities of test compounds for human V2 receptor were evaluated by the radioligand binding study using membrane fractions isolated from CHO cel...				Bioorg Med Chem 16: 9524-35 (2008) Article DOI: 10.1016/j.bmc.2008.09.039 BindingDB Entry DOI: 10.7270/Q2125R12
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM35699 (5H-1-benzazepin-5-ylidene acetamide, 10f) Show SMILES Cc1cc(C)n(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1 Show InChI InChI=1S/C30H26ClF2N5O2/c1-19-15-20(2)38(36-19)22-10-11-24(26(31)16-22)29(40)37-14-12-30(32,33)25(23-8-3-4-9-27(23)37)17-28(39)35-18-21-7-5-6-13-34-21/h3-11,13,15-17H,12,14,18H2,1-2H3,(H,35,39)/b25-17-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.10	-45.6	n/a	n/a	>1.00E+4	n/a	n/a	7.4	23
Astellas Pharma Inc.					Assay Description The affinities of test compounds for human V2 receptor were evaluated by the radioligand binding study using membrane fractions isolated from CHO cel...				Bioorg Med Chem 16: 9524-35 (2008) Article DOI: 10.1016/j.bmc.2008.09.039 BindingDB Entry DOI: 10.7270/Q2125R12
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM35695 (5H-1-benzazepin-5-ylidene acetamide, 10b) Show SMILES FC1(F)CCN(C(=O)c2ccc(cc2Cl)-n2cccn2)c2ccccc2\C1=C\C(=O)NCc1ccccn1 Show InChI InChI=1S/C28H22ClF2N5O2/c29-24-16-20(36-14-5-13-34-36)9-10-22(24)27(38)35-15-11-28(30,31)23(21-7-1-2-8-25(21)35)17-26(37)33-18-19-6-3-4-12-32-19/h1-10,12-14,16-17H,11,15,18H2,(H,33,37)/b23-17-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.20	-45.6	n/a	n/a	61.9	n/a	n/a	7.4	23
Astellas Pharma Inc.					Assay Description The affinities of test compounds for human V2 receptor were evaluated by the radioligand binding study using membrane fractions isolated from CHO cel...				Bioorg Med Chem 16: 9524-35 (2008) Article DOI: 10.1016/j.bmc.2008.09.039 BindingDB Entry DOI: 10.7270/Q2125R12
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM35698 (5H-1-benzazepin-5-ylidene acetamide, 10e) Show SMILES FC1(F)CCN(C(=O)c2ccc(cc2Cl)-n2ccc(n2)-c2ccccc2)c2ccccc2\C1=C\C(=O)NCc1ccccn1 Show InChI InChI=1S/C34H26ClF2N5O2/c35-29-20-25(42-18-15-30(40-42)23-8-2-1-3-9-23)13-14-27(29)33(44)41-19-16-34(36,37)28(26-11-4-5-12-31(26)41)21-32(43)39-22-24-10-6-7-17-38-24/h1-15,17-18,20-21H,16,19,22H2,(H,39,43)/b28-21-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11	-45.1	n/a	n/a	>1.00E+4	n/a	n/a	7.4	23
Astellas Pharma Inc.					Assay Description The affinities of test compounds for human V2 receptor were evaluated by the radioligand binding study using membrane fractions isolated from CHO cel...				Bioorg Med Chem 16: 9524-35 (2008) Article DOI: 10.1016/j.bmc.2008.09.039 BindingDB Entry DOI: 10.7270/Q2125R12
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM35706 (5H-1-benzazepin-5-ylidene acetamide, 10m) Show SMILES FC1(F)CCN(C(=O)c2ccc(cc2Cl)N2CCCCCC2)c2ccccc2\C1=C\C(=O)NCc1ccccn1 Show InChI InChI=1S/C31H31ClF2N4O2/c32-27-19-23(37-16-7-1-2-8-17-37)12-13-25(27)30(40)38-18-14-31(33,34)26(24-10-3-4-11-28(24)38)20-29(39)36-21-22-9-5-6-15-35-22/h3-6,9-13,15,19-20H,1-2,7-8,14,16-18,21H2,(H,36,39)/b26-20-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11	-45.1	n/a	n/a	646	n/a	n/a	7.4	23
Astellas Pharma Inc.					Assay Description The affinities of test compounds for human V2 receptor were evaluated by the radioligand binding study using membrane fractions isolated from CHO cel...				Bioorg Med Chem 16: 9524-35 (2008) Article DOI: 10.1016/j.bmc.2008.09.039 BindingDB Entry DOI: 10.7270/Q2125R12
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM35703 (5H-1-benzazepin-5-ylidene acetamide, 10j | racemat...) Show SMILES CC1CCN(C1)c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1 Show InChI InChI=1S/C30H29ClF2N4O2/c1-20-11-14-36(19-20)22-9-10-24(26(31)16-22)29(39)37-15-12-30(32,33)25(23-7-2-3-8-27(23)37)17-28(38)35-18-21-6-4-5-13-34-21/h2-10,13,16-17,20H,11-12,14-15,18-19H2,1H3,(H,35,38)/b25-17-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	14	-44.5	n/a	n/a	1.25	n/a	n/a	7.4	23
Astellas Pharma Inc.					Assay Description The affinities of test compounds for human V2 receptor were evaluated by the radioligand binding study using membrane fractions isolated from CHO cel...				Bioorg Med Chem 16: 9524-35 (2008) Article DOI: 10.1016/j.bmc.2008.09.039 BindingDB Entry DOI: 10.7270/Q2125R12
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM35705 (5H-1-benzazepin-5-ylidene acetamide, 10l) Show SMILES FC1(F)CCN(C(=O)c2ccc(cc2Cl)N2CCCCC2)c2ccccc2\C1=C\C(=O)NCc1ccccn1 Show InChI InChI=1S/C30H29ClF2N4O2/c31-26-18-22(36-15-6-1-7-16-36)11-12-24(26)29(39)37-17-13-30(32,33)25(23-9-2-3-10-27(23)37)19-28(38)35-20-21-8-4-5-14-34-21/h2-5,8-12,14,18-19H,1,6-7,13,15-17,20H2,(H,35,38)/b25-19-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	14	-44.5	n/a	n/a	104	n/a	n/a	7.4	23
Astellas Pharma Inc.					Assay Description The affinities of test compounds for human V2 receptor were evaluated by the radioligand binding study using membrane fractions isolated from CHO cel...				Bioorg Med Chem 16: 9524-35 (2008) Article DOI: 10.1016/j.bmc.2008.09.039 BindingDB Entry DOI: 10.7270/Q2125R12
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM35704 (5H-1-benzazepin-5-ylidene acetamide, 10k) Show SMILES CC1CCCN1c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1 Show InChI InChI=1S/C30H29ClF2N4O2/c1-20-7-6-15-36(20)22-11-12-24(26(31)17-22)29(39)37-16-13-30(32,33)25(23-9-2-3-10-27(23)37)18-28(38)35-19-21-8-4-5-14-34-21/h2-5,8-12,14,17-18,20H,6-7,13,15-16,19H2,1H3,(H,35,38)/b25-18-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	16	-44.2	n/a	n/a	1.10E+3	n/a	n/a	7.4	23
Astellas Pharma Inc.					Assay Description The affinities of test compounds for human V2 receptor were evaluated by the radioligand binding study using membrane fractions isolated from CHO cel...				Bioorg Med Chem 16: 9524-35 (2008) Article DOI: 10.1016/j.bmc.2008.09.039 BindingDB Entry DOI: 10.7270/Q2125R12
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM35697 (5H-1-benzazepin-5-ylidene acetamide, 10d) Show SMILES CC(C)c1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1 Show InChI InChI=1S/C31H28ClF2N5O2/c1-20(2)27-12-15-39(37-27)22-10-11-24(26(32)17-22)30(41)38-16-13-31(33,34)25(23-8-3-4-9-28(23)38)18-29(40)36-19-21-7-5-6-14-35-21/h3-12,14-15,17-18,20H,13,16,19H2,1-2H3,(H,36,40)/b25-18-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	18	-43.9	n/a	n/a	>1.00E+4	n/a	n/a	7.4	23
Astellas Pharma Inc.					Assay Description The affinities of test compounds for human V2 receptor were evaluated by the radioligand binding study using membrane fractions isolated from CHO cel...				Bioorg Med Chem 16: 9524-35 (2008) Article DOI: 10.1016/j.bmc.2008.09.039 BindingDB Entry DOI: 10.7270/Q2125R12
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Rattus norvegicus (Rat))	BDBM35673 (5H-1-benzazepin-5-ylidene acetamide, 1a | BMC16952...) Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1 Show InChI InChI=1S/C29H24ClF2N5O2/c1-19-11-14-37(35-19)21-9-10-23(25(30)16-21)28(39)36-15-12-29(31,32)24(22-7-2-3-8-26(22)36)17-27(38)34-18-20-6-4-5-13-33-20/h2-11,13-14,16-17H,12,15,18H2,1H3,(H,34,38)/b24-17-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	19	-43.8	n/a	n/a	n/a	n/a	n/a	7.4	23
Astellas Pharma Inc.					Assay Description The affinities of test compounds for human V2 receptor were evaluated by the radioligand binding study using membrane fractions isolated from CHO cel...				Bioorg Med Chem 16: 9524-35 (2008) Article DOI: 10.1016/j.bmc.2008.09.039 BindingDB Entry DOI: 10.7270/Q2125R12
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM35701 (5H-1-benzazepin-5-ylidene acetamide, 10h) Show SMILES FC1(F)CCN(C(=O)c2ccc(cc2Cl)-n2cc3ccccc3n2)c2ccccc2\C1=C\C(=O)NCc1ccccn1 Show InChI InChI=1S/C32H24ClF2N5O2/c33-27-17-23(40-20-21-7-1-3-10-28(21)38-40)12-13-25(27)31(42)39-16-14-32(34,35)26(24-9-2-4-11-29(24)39)18-30(41)37-19-22-8-5-6-15-36-22/h1-13,15,17-18,20H,14,16,19H2,(H,37,41)/b26-18-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	20	-43.6	n/a	n/a	>1.00E+4	n/a	n/a	7.4	23
Astellas Pharma Inc.					Assay Description The affinities of test compounds for human V2 receptor were evaluated by the radioligand binding study using membrane fractions isolated from CHO cel...				Bioorg Med Chem 16: 9524-35 (2008) Article DOI: 10.1016/j.bmc.2008.09.039 BindingDB Entry DOI: 10.7270/Q2125R12
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM35696 (5H-1-benzazepin-5-ylidene acetamide, 10c) Show SMILES CCc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1 Show InChI InChI=1S/C30H26ClF2N5O2/c1-2-20-12-15-38(36-20)22-10-11-24(26(31)17-22)29(40)37-16-13-30(32,33)25(23-8-3-4-9-27(23)37)18-28(39)35-19-21-7-5-6-14-34-21/h3-12,14-15,17-18H,2,13,16,19H2,1H3,(H,35,39)/b25-18-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	21	-43.5	n/a	n/a	>1.00E+4	n/a	n/a	7.4	23
Astellas Pharma Inc.					Assay Description The affinities of test compounds for human V2 receptor were evaluated by the radioligand binding study using membrane fractions isolated from CHO cel...				Bioorg Med Chem 16: 9524-35 (2008) Article DOI: 10.1016/j.bmc.2008.09.039 BindingDB Entry DOI: 10.7270/Q2125R12
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM35702 (5H-1-benzazepin-5-ylidene acetamide, 10i) Show SMILES FC1(F)CCN(C(=O)c2ccc(cc2Cl)N2CCCC2)c2ccccc2\C1=C\C(=O)NCc1ccccn1 Show InChI InChI=1S/C29H27ClF2N4O2/c30-25-17-21(35-14-5-6-15-35)10-11-23(25)28(38)36-16-12-29(31,32)24(22-8-1-2-9-26(22)36)18-27(37)34-19-20-7-3-4-13-33-20/h1-4,7-11,13,17-18H,5-6,12,14-16,19H2,(H,34,37)/b24-18-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	22	-43.4	n/a	n/a	3.13	n/a	n/a	7.4	23
Astellas Pharma Inc.					Assay Description The affinities of test compounds for human V2 receptor were evaluated by the radioligand binding study using membrane fractions isolated from CHO cel...				Bioorg Med Chem 16: 9524-35 (2008) Article DOI: 10.1016/j.bmc.2008.09.039 BindingDB Entry DOI: 10.7270/Q2125R12
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM35708 (5H-1-benzazepin-5-ylidene acetamide, 10o) Show SMILES CN1CCN(CC1)c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1 Show InChI InChI=1S/C30H30ClF2N5O2/c1-36-14-16-37(17-15-36)22-9-10-24(26(31)18-22)29(40)38-13-11-30(32,33)25(23-7-2-3-8-27(23)38)19-28(39)35-20-21-6-4-5-12-34-21/h2-10,12,18-19H,11,13-17,20H2,1H3,(H,35,39)/b25-19-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	170	-38.4	n/a	n/a	>1.00E+4	n/a	n/a	7.4	23
Astellas Pharma Inc.					Assay Description The affinities of test compounds for human V2 receptor were evaluated by the radioligand binding study using membrane fractions isolated from CHO cel...				Bioorg Med Chem 16: 9524-35 (2008) Article DOI: 10.1016/j.bmc.2008.09.039 BindingDB Entry DOI: 10.7270/Q2125R12
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM35707 (5H-1-benzazepin-5-ylidene acetamide, 10n | racemat...) Show SMILES CN(C)C1CCN(C1)c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1 Show InChI InChI=1S/C31H32ClF2N5O2/c1-37(2)23-12-15-38(20-23)22-10-11-25(27(32)17-22)30(41)39-16-13-31(33,34)26(24-8-3-4-9-28(24)39)18-29(40)36-19-21-7-5-6-14-35-21/h3-11,14,17-18,23H,12-13,15-16,19-20H2,1-2H3,(H,36,40)/b26-18-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	200	-38.0	n/a	n/a	>1.00E+4	n/a	n/a	7.4	23
Astellas Pharma Inc.					Assay Description The affinities of test compounds for human V2 receptor were evaluated by the radioligand binding study using membrane fractions isolated from CHO cel...				Bioorg Med Chem 16: 9524-35 (2008) Article DOI: 10.1016/j.bmc.2008.09.039 BindingDB Entry DOI: 10.7270/Q2125R12
					More data for this Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50478403 (CHEBI:23527 | CYTOCHALASIN B) Show SMILES [H][C@]12[C@H](Cc3ccccc3)NC(=O)[C@]11OC(=O)\C=C\[C@H](O)CCC[C@@H](C)C\C=C\[C@@]1([H])[C@H](O)C(=C)[C@H]2C |r,t:19,29| Show InChI InChI=1S/C29H37NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/b14-8+,16-15+/t18-,19-,22-,23+,24+,26+,27-,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	521	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of LFA1/ICAM1-mediated CFSE-labeled TPA-stimulated human HL60 cell adhesion to ICAM1 expressing human HeLa cells after 45 mins by fluoresc...				J Nat Prod 64: 559-62 (2001) Article DOI: 10.1021/np000436s BindingDB Entry DOI: 10.7270/Q26D5WSK
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50478403 (CHEBI:23527 | CYTOCHALASIN B) Show SMILES [H][C@]12[C@H](Cc3ccccc3)NC(=O)[C@]11OC(=O)\C=C\[C@H](O)CCC[C@@H](C)C\C=C\[C@@]1([H])[C@H](O)C(=C)[C@H]2C |r,t:19,29| Show InChI InChI=1S/C29H37NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/b14-8+,16-15+/t18-,19-,22-,23+,24+,26+,27-,29-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of LFA1:CD11a/CD18/ICAM1-mediated human HL60 cell adhesion to human HeLa cells expressing ICAM1 by fluorescence analysis				J Nat Prod 66: 962-7 (2003) Article DOI: 10.1021/np030086k BindingDB Entry DOI: 10.7270/Q2M61P1C
					More data for this Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50478403 (CHEBI:23527 | CYTOCHALASIN B) Show SMILES [H][C@]12[C@H](Cc3ccccc3)NC(=O)[C@]11OC(=O)\C=C\[C@H](O)CCC[C@@H](C)C\C=C\[C@@]1([H])[C@H](O)C(=C)[C@H]2C |r,t:19,29| Show InChI InChI=1S/C29H37NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/b14-8+,16-15+/t18-,19-,22-,23+,24+,26+,27-,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of LFA1/ICAM1-mediated adhesion of HL60 cells to CHO-ICAM1 cells				J Nat Prod 67: 772-7 (2004) Article DOI: 10.1021/np030524n BindingDB Entry DOI: 10.7270/Q24M97BV
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50478475 (CHEBI:3533 | Cephaeline) Show SMILES [H][C@@]12C[C@H](C[C@H]3NCCc4cc(O)c(OC)cc34)[C@@H](CC)CN1CCc1cc(OC)c(OC)cc21 Show InChI InChI=1S/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3/t17-,20-,23+,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>2.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of LFA1:CD11a/CD18/ICAM1-mediated human HL60 cell adhesion to human HeLa cells expressing ICAM1 by fluorescence analysis				J Nat Prod 66: 962-7 (2003) Article DOI: 10.1021/np030086k BindingDB Entry DOI: 10.7270/Q2M61P1C
					More data for this Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50478733 (CHEBI:67606 | Sampangine) Show SMILES O=C1c2ccccc2-c2nccc3ccnc1c23 Show InChI InChI=1S/C15H8N2O/c18-15-11-4-2-1-3-10(11)13-12-9(5-7-16-13)6-8-17-14(12)15/h1-8H	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of LFA1/ICAM1-mediated CFSE-labeled TPA-stimulated human HL60 cell adhesion to ICAM1 expressing human HeLa cells after 45 mins by fluoresc...				J Nat Prod 64: 559-62 (2001) Article DOI: 10.1021/np000436s BindingDB Entry DOI: 10.7270/Q26D5WSK
					More data for this Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50478404 (CHEMBL452089) Show SMILES [H][C@]12[C@@H](OC(=O)[C@H](C)CC)C(=O)O[C@]3([H])C[C@@]4([H])C(C)=CC(=O)[C@@H](O)[C@]4(C)[C@@]4([H])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]1(C)OC[C@@]234 |r,c:19| Show InChI InChI=1S/C29H38O11/c1-8-12(2)25(34)40-20-22-28(7)24(38-15(5)31)19(37-14(4)30)21-27(6)16(13(3)9-17(32)23(27)33)10-18(39-26(20)35)29(21,22)11-36-28/h9,12,16,18-24,33H,8,10-11H2,1-7H3/t12-,16+,18-,19-,20-,21-,22+,23-,24+,27+,28-,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>4.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of LFA1/ICAM1-mediated adhesion of HL60 cells to CHO-ICAM1 cells				J Nat Prod 67: 772-7 (2004) Article DOI: 10.1021/np030524n BindingDB Entry DOI: 10.7270/Q24M97BV
					More data for this Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50478402 ((+)-Oricinolide | CHEMBL480688) Show SMILES [H][C@]12[C@@H](OC(=O)[C@H](C)CC)C(=O)O[C@]3([H])C[C@@]4([H])C(C)=C[C@H](O)[C@@H](O)[C@]4(C)[C@@]4([H])[C@@H](O)[C@@H](O)[C@]1(C)OC[C@@]234 |r,c:19| Show InChI InChI=1S/C25H36O9/c1-6-10(2)21(30)34-16-18-24(5)20(29)15(27)17-23(4)12(11(3)7-13(26)19(23)28)8-14(33-22(16)31)25(17,18)9-32-24/h7,10,12-20,26-29H,6,8-9H2,1-5H3/t10-,12+,13+,14-,15-,16-,17-,18+,19-,20-,23+,24-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of LFA1/ICAM1-mediated adhesion of HL60 cells to CHO-ICAM1 cells				J Nat Prod 67: 772-7 (2004) Article DOI: 10.1021/np030524n BindingDB Entry DOI: 10.7270/Q24M97BV
					More data for this Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50478405 (CHEBI:66486 | NSC-266494 | Simalikalactone D) Show SMILES [H][C@]12[C@@H](OC(=O)[C@H](C)CC)C(=O)O[C@]3([H])C[C@@]4([H])C(C)=CC(=O)[C@@H](O)[C@]4(C)[C@@]4([H])[C@@H](O)[C@H](O)[C@]1(C)OC[C@@]234 |r,c:19| Show InChI InChI=1S/C25H34O9/c1-6-10(2)21(30)34-16-18-24(5)20(29)15(27)17-23(4)12(11(3)7-13(26)19(23)28)8-14(33-22(16)31)25(17,18)9-32-24/h7,10,12,14-20,27-29H,6,8-9H2,1-5H3/t10-,12+,14-,15-,16-,17-,18+,19-,20+,23+,24-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of LFA1/ICAM1-mediated adhesion of HL60 cells to CHO-ICAM1 cells				J Nat Prod 67: 772-7 (2004) Article DOI: 10.1021/np030524n BindingDB Entry DOI: 10.7270/Q24M97BV
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50216297 (6',7',10,11-tetramethoxyemetan | CHEMBL50588 | Eme...) Show SMILES CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc12 |r| Show InChI InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of LFA1:CD11a/CD18/ICAM1-mediated human HL60 cell adhesion to human HeLa cells expressing ICAM1 by fluorescence analysis				J Nat Prod 66: 962-7 (2003) Article DOI: 10.1021/np030086k BindingDB Entry DOI: 10.7270/Q2M61P1C
					More data for this Ligand-Target Pair