Compile Data Set for Download or QSAR

Found 328 hits with Last Name = 'gibson' and Initial = 'c'   

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
Pteridine reductase 1 (Leishmania major)	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pteridine reductase 1 (Leishmania major)	BDBM50303504 (2,4-diamino-6,7-diisopropylpteridin-1-ium | 6,7-bi...) Show SMILES CC(C)c1nc2nc(N)nc(N)c2nc1C(C)C Show InChI InChI=1S/C12H18N6/c1-5(2)7-8(6(3)4)16-11-9(15-7)10(13)17-12(14)18-11/h5-6H,1-4H3,(H4,13,14,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50303518 (2,4-diamino-6-(benzylthio)pyrimidin-1-ium | 6-(ben...) Show SMILES Nc1cc(SCc2ccccc2)nc(N)n1 Show InChI InChI=1S/C11H12N4S/c12-9-6-10(15-11(13)14-9)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H4,12,13,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50303514 (2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro...) Show SMILES Nc1nc2[nH]c(c(C#N)c2c(=O)[nH]1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C14H9N5O3/c15-4-7-10-12(18-14(16)19-13(10)20)17-11(7)6-1-2-8-9(3-6)22-5-21-8/h1-3H,5H2,(H4,16,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50303519 (6-[(4'-Methoxybenzyl)sulfanyl]-2,4-pyrimidinediami...) Show SMILES COc1ccc(CSc2cc(N)nc(N)n2)cc1 Show InChI InChI=1S/C12H14N4OS/c1-17-9-4-2-8(3-5-9)7-18-11-6-10(13)15-12(14)16-11/h2-6H,7H2,1H3,(H4,13,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM6644 (6‐phenylpteridine‐2,4,7‐triamine...) Show SMILES Nc1nc(N)c2nc(c(N)nc2n1)-c1ccccc1 Show InChI InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50303512 (2-amino-6-(4-methoxyphenyl)-4-oxo-4,7-dihydro-3H-p...) Show SMILES COc1ccc(cc1)-c1[nH]c2nc(N)[nH]c(=O)c2c1C#N Show InChI InChI=1S/C14H11N5O2/c1-21-8-4-2-7(3-5-8)11-9(6-15)10-12(17-11)18-14(16)19-13(10)20/h2-5H,1H3,(H4,16,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50303513 (2-amino-6-(3-formylphenyl)-4-oxo-4,7-dihydro-3H-py...) Show SMILES Nc1nc2[nH]c(c(C#N)c2c(=O)[nH]1)-c1cccc(C=O)c1 Show InChI InChI=1S/C14H9N5O2/c15-5-9-10-12(18-14(16)19-13(10)21)17-11(9)8-3-1-2-7(4-8)6-20/h1-4,6H,(H4,16,17,18,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50303505 (6,7,7-trimethyl-7,8-dihydropteridine-2,4-diamine |...) Show SMILES CC1=Nc2c(N)nc(N)nc2NC1(C)C |t:1| Show InChI InChI=1S/C9H14N6/c1-4-9(2,3)15-7-5(12-4)6(10)13-8(11)14-7/h1-3H3,(H5,10,11,13,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50303511 (2-amino-6-(4-ethylphenyl)-4-oxo-4,7-dihydro-3H-pyr...) Show SMILES CCc1ccc(cc1)-c1[nH]c2nc(N)[nH]c(=O)c2c1C#N Show InChI InChI=1S/C15H13N5O/c1-2-8-3-5-9(6-4-8)12-10(7-16)11-13(18-12)19-15(17)20-14(11)21/h3-6H,2H2,1H3,(H4,17,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.64E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50303515 (2,4,6-triaminopyrimidin-1-ium | CHEMBL571518 | PYR...) Show SMILES Nc1cc(N)nc(N)n1 Show InChI InChI=1S/C4H7N5/c5-2-1-3(6)9-4(7)8-2/h1H,(H6,5,6,7,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	>2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50303516 (2,4-diamino-6-(cyclopropylamino)pyrimidin-1-ium | ...) Show SMILES Nc1cc(NC2CC2)nc(N)n1 Show InChI InChI=1S/C7H11N5/c8-5-3-6(10-4-1-2-4)12-7(9)11-5/h3-4H,1-2H2,(H5,8,9,10,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50303517 (2,4-diamino-6-(p-tolylthio)pyrimidin-1-ium | 6-[(4...) Show SMILES Cc1ccc(Sc2cc(N)nc(N)n2)cc1 Show InChI InChI=1S/C11H12N4S/c1-7-2-4-8(5-3-7)16-10-6-9(12)14-11(13)15-10/h2-6H,1H3,(H4,12,13,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50028122 (2-Amino-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one ...) Show SMILES Nc1nc2[nH]ccc2c(=O)[nH]1 Show InChI InChI=1S/C6H6N4O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h1-2H,(H4,7,8,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	>2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50303508 (2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2...) Show SMILES Nc1nc2[nH]cc(CCc3ccccc3)c2c(=O)[nH]1 Show InChI InChI=1S/C14H14N4O/c15-14-17-12-11(13(19)18-14)10(8-16-12)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H4,15,16,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	>2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50303507 (2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimid...) Show SMILES Nc1nc2[nH]cc(C#N)c2c(=O)[nH]1 Show InChI InChI=1S/C7H5N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,(H4,9,10,11,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem	Article PubMed	>2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50303510 (2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-...) Show SMILES Nc1nc2[nH]c(c(C#N)c2c(=O)[nH]1)-c1ccccc1 Show InChI InChI=1S/C13H9N5O/c14-6-8-9-11(17-13(15)18-12(9)19)16-10(8)7-4-2-1-3-5-7/h1-5H,(H4,15,16,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	>2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50303509 (2-amino-6-bromo-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d...) Show SMILES Nc1nc2[nH]c(Br)c(C#N)c2c(=O)[nH]1 Show InChI InChI=1S/C7H4BrN5O/c8-4-2(1-9)3-5(11-4)12-7(10)13-6(3)14/h(H4,10,11,12,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	>2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50303506 (2-amino-3H-pyrrolo[2,3-d]pyrimidine-4(7H)-thione |...) Show SMILES Nc1nc2[nH]ccc2c(=S)[nH]1 Show InChI InChI=1S/C6H6N4S/c7-6-9-4-3(1-2-8-4)5(11)10-6/h1-2H,(H4,7,8,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	>2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50293905 ((S)-4-amino-5-(4-(4-(2,4-dichloro-3-((2,4-dimethyl...) Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)[C@@H](N)CCC[N+](C)(C)C)c2n1 |r| Show InChI InChI=1S/C36H49Cl2N6O6S/c1-24-22-25(2)40-33-26(24)8-6-10-30(33)50-23-27-28(37)11-12-31(32(27)38)51(47,48)41-36(13-20-49-21-14-36)35(46)43-17-15-42(16-18-43)34(45)29(39)9-7-19-44(3,4)5/h6,8,10-12,22,29,41H,7,9,13-21,23,39H2,1-5H3/q+1/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Displacement of [3H]bradykinin from human recombinant B2 receptor expressed in HEK293 cells				J Med Chem 52: 4370-9 (2009) Article DOI: 10.1021/jm9002445 BindingDB Entry DOI: 10.7270/Q2KS6RKT
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50100173 (3-{N-[N'-(5-guanidinobenzoyl)hydrazino]carbonyl}-a...) Show SMILES [#7]\[#6](-[#7])=[#7]\c1cccc(c1)-[#6](=O)-[#7]-[#7]-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#8])=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H19ClN6O4/c19-12-6-4-10(5-7-12)14(9-15(26)27)23-18(29)25-24-16(28)11-2-1-3-13(8-11)22-17(20)21/h1-8,14H,9H2,(H,24,28)(H,26,27)(H4,20,21,22)(H2,23,25,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität München Curated by ChEMBL					Assay Description Inhibitory activity against vitronectin receptor (alpha V beta 3)				J Med Chem 44: 1938-50 (2001) BindingDB Entry DOI: 10.7270/Q2QF8S5D
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309002 (CHEMBL609157 | N-((5'-chloro-3,3'-difluoro-2'-(2-m...) Show SMILES CCN(NC(=O)c1cc(OC)no1)C(=O)NCc1ccc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 Show InChI InChI=1S/C23H21ClF2N8O4/c1-4-34(30-22(35)18-10-19(37-3)31-38-18)23(36)27-11-13-6-5-12(7-16(13)25)15-8-14(24)9-17(26)20(15)21-28-32-33(2)29-21/h5-10H,4,11H2,1-3H3,(H,27,36)(H,30,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1225-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.119 BindingDB Entry DOI: 10.7270/Q27P8ZH1
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309004 ((R)-N-(1-(5-(5-chloro-3-fluoro-2-(2-methyl-2H-tetr...) Show SMILES CCN(NC(=O)c1cc(OC)no1)C(=O)N[C@H](C)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 |r| Show InChI InChI=1S/C23H22ClF2N9O4/c1-5-35(31-22(36)17-9-18(38-4)32-39-17)23(37)28-11(2)20-16(26)6-12(10-27-20)14-7-13(24)8-15(25)19(14)21-29-33-34(3)30-21/h6-11H,5H2,1-4H3,(H,28,37)(H,31,36)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1225-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.119 BindingDB Entry DOI: 10.7270/Q27P8ZH1
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309621 (3-((5'-chloro-3,3'-difluoro-2'-(2-methyl-2H-tetraz...) Show SMILES Cn1nnc(n1)-c1c(F)cc(Cl)cc1-c1cnc(CNC(=O)N(O)C2CCC(F)(F)CC2)c(F)c1 Show InChI InChI=1S/C21H20ClF4N7O2/c1-32-30-19(29-31-32)18-14(7-12(22)8-16(18)24)11-6-15(23)17(27-9-11)10-28-20(34)33(35)13-2-4-21(25,26)5-3-13/h6-9,13,35H,2-5,10H2,1H3,(H,28,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1233-6 (2010) Article DOI: 10.1016/j.bmcl.2009.11.121 BindingDB Entry DOI: 10.7270/Q2RJ4JM5
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309003 (CHEMBL599153 | N-((5-(5-chloro-3-fluoro-2-(2-methy...) Show SMILES CCN(NC(=O)c1cc(OC)no1)C(=O)NCc1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 Show InChI InChI=1S/C22H20ClF2N9O4/c1-4-34(30-21(35)17-8-18(37-3)31-38-17)22(36)27-10-16-14(24)5-11(9-26-16)13-6-12(23)7-15(25)19(13)20-28-32-33(2)29-20/h5-9H,4,10H2,1-3H3,(H,27,36)(H,30,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1225-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.119 BindingDB Entry DOI: 10.7270/Q27P8ZH1
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309001 (CHEMBL589820 | N-((5-(5-chloro-3-fluoro-2-(5-methy...) Show SMILES CCN(NC(=O)c1cc(OC)no1)C(=O)NCc1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 Show InChI InChI=1S/C23H20ClF2N7O5/c1-4-33(30-22(34)18-8-19(36-3)31-38-18)23(35)28-10-17-15(25)5-12(9-27-17)14-6-13(24)7-16(26)20(14)21-29-11(2)37-32-21/h5-9H,4,10H2,1-3H3,(H,28,35)(H,30,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1225-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.119 BindingDB Entry DOI: 10.7270/Q27P8ZH1
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309008 ((R)-N-(1-(5-(5-chloro-3-fluoro-2-(2-methyl-2H-tetr...) Show SMILES CCN(NC(=O)C(F)(F)F)C(=O)N[C@H](C)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 |r| Show InChI InChI=1S/C20H18ClF5N8O2/c1-4-34(31-18(35)20(24,25)26)19(36)28-9(2)16-14(23)5-10(8-27-16)12-6-11(21)7-13(22)15(12)17-29-32-33(3)30-17/h5-9H,4H2,1-3H3,(H,28,36)(H,31,35)/t9-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1225-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.119 BindingDB Entry DOI: 10.7270/Q27P8ZH1
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309015 (CHEMBL597747 | N-(5-chloro-2-((5'-chloro-3,3'-difl...) Show SMILES CC(=O)Nn1c(Cl)cnc1NCc1ccc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 Show InChI InChI=1S/C21H16Cl2F2N6O2/c1-10(32)29-31-18(23)9-27-21(31)26-8-13-4-3-12(5-16(13)24)15-6-14(22)7-17(25)19(15)20-28-11(2)33-30-20/h3-7,9H,8H2,1-2H3,(H,26,27)(H,29,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradykinin B1 receptor in human IMR90 cells pretreated with IL1beta assessed as inhibition of DAKD-induced calcium mobilizatio...				Bioorg Med Chem Lett 20: 1229-32 (2010) Article DOI: 10.1016/j.bmcl.2009.11.120 BindingDB Entry DOI: 10.7270/Q2416X5W
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50100159 (3-{N-[N'-(5-(4-Methylpyridin-2-ylamino)pentanoyl)h...) Show SMILES OC(=O)CC(NC(=O)NNC(=O)CCCCNc1ccccn1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H24ClN5O4/c21-15-9-7-14(8-10-15)16(13-19(28)29)24-20(30)26-25-18(27)6-2-4-12-23-17-5-1-3-11-22-17/h1,3,5,7-11,16H,2,4,6,12-13H2,(H,22,23)(H,25,27)(H,28,29)(H2,24,26,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität München Curated by ChEMBL					Assay Description Inhibitory activity against vitronectin receptor (alpha V beta 3)				J Med Chem 44: 1938-50 (2001) BindingDB Entry DOI: 10.7270/Q2QF8S5D
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Cavia porcellus)	BDBM50074986 ((E)-N-({[4-Chloro-2-cyano-3-(2-methyl-quinolin-8-y...) Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(cc1)C(F)(F)F)c1ccc(Cl)c(COc2cccc3ccc(C)nc23)c1C#N Show InChI InChI=1S/C31H24ClF3N4O3/c1-19-6-10-21-4-3-5-27(30(21)38-19)42-18-24-23(16-36)26(14-13-25(24)32)39(2)29(41)17-37-28(40)15-9-20-7-11-22(12-8-20)31(33,34)35/h3-15H,17-18H2,1-2H3,(H,37,40)/b15-9+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Displacement of [3H]bradykinin from guinea pig B2 receptor				J Med Chem 52: 4370-9 (2009) Article DOI: 10.1021/jm9002445 BindingDB Entry DOI: 10.7270/Q2KS6RKT
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309000 (CHEMBL589819 | N-((5'-chloro-3,3'-difluoro-2'-(5-m...) Show SMILES CCN(NC(=O)c1cc(OC)no1)C(=O)NCc1ccc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 Show InChI InChI=1S/C24H21ClF2N6O5/c1-4-33(30-23(34)19-10-20(36-3)31-38-19)24(35)28-11-14-6-5-13(7-17(14)26)16-8-15(25)9-18(27)21(16)22-29-12(2)37-32-22/h5-10H,4,11H2,1-3H3,(H,28,35)(H,30,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1225-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.119 BindingDB Entry DOI: 10.7270/Q27P8ZH1
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309006 ((R)-N-(1-(5-(5-chloro-3-fluoro-2-(5-methyl-1,2,4-o...) Show SMILES CCN(NC(=O)C(F)(F)F)C(=O)N[C@H](C)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r| Show InChI InChI=1S/C21H18ClF5N6O3/c1-4-33(31-19(34)21(25,26)27)20(35)29-9(2)17-15(24)5-11(8-28-17)13-6-12(22)7-14(23)16(13)18-30-10(3)36-32-18/h5-9H,4H2,1-3H3,(H,29,35)(H,31,34)/t9-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1225-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.119 BindingDB Entry DOI: 10.7270/Q27P8ZH1
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309622 (3-((5'-chloro-3,3'-difluoro-2'-(2-methyl-2H-tetraz...) Show SMILES Cn1nnc(n1)-c1c(F)cc(Cl)cc1-c1cnc(CNC(=O)N(O)C(CF)CF)c(F)c1 Show InChI InChI=1S/C18H16ClF4N7O2/c1-29-27-17(26-28-29)16-12(3-10(19)4-14(16)23)9-2-13(22)15(24-7-9)8-25-18(31)30(32)11(5-20)6-21/h2-4,7,11,32H,5-6,8H2,1H3,(H,25,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1233-6 (2010) Article DOI: 10.1016/j.bmcl.2009.11.121 BindingDB Entry DOI: 10.7270/Q2RJ4JM5
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50293902 (1-{4-methyl-3-[2-methyl-4-(2-methyl-2H-pyrazol-3-y...) Show SMILES Cc1cc(-c2ccnn2C)c2cccc(OCc3c(C)ccnc3Cn3cccc(c3=O)C(F)(F)F)c2n1 Show InChI InChI=1S/C28H24F3N5O2/c1-17-9-11-32-23(15-36-13-5-7-22(27(36)37)28(29,30)31)21(17)16-38-25-8-4-6-19-20(14-18(2)34-26(19)25)24-10-12-33-35(24)3/h4-14H,15-16H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at B2 receptor in human HF15 cells assessed as inhibition of bradykinin-induced calcium mobilization				J Med Chem 52: 4370-9 (2009) Article DOI: 10.1021/jm9002445 BindingDB Entry DOI: 10.7270/Q2KS6RKT
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309011 (CHEMBL598349 | N-(4-((5'-chloro-3,3'-difluoro-2'-(...) Show SMILES COc1cc(on1)C(=O)Nc1nsnc1NCc1ccc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 Show InChI InChI=1S/C23H16ClF2N7O4S/c1-10-28-20(31-36-10)19-14(6-13(24)7-16(19)26)11-3-4-12(15(25)5-11)9-27-21-22(33-38-32-21)29-23(34)17-8-18(35-2)30-37-17/h3-8H,9H2,1-2H3,(H,27,32)(H,29,33,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradykinin B1 receptor in human IMR90 cells pretreated with IL1beta assessed as inhibition of DAKD-induced calcium mobilizatio...				Bioorg Med Chem Lett 20: 1229-32 (2010) Article DOI: 10.1016/j.bmcl.2009.11.120 BindingDB Entry DOI: 10.7270/Q2416X5W
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50100138 (CHEMBL59076 | [14-Benzyl-8-(3-guanidino-propyl)-11...) Show SMILES CC(C)C1NC(=O)C(CCCNC(N)=N)NC(=O)CNC(=O)C(CC(O)=O)NC(=O)C(Cc2ccccc2)N(C)C1=O Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-26(42)35(3)19(12-16-8-5-4-6-9-16)25(41)33-18(13-21(37)38)23(39)31-14-20(36)32-17(24(40)34-22)10-7-11-30-27(28)29/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität München Curated by ChEMBL					Assay Description Inhibitory activity against vitronectin receptor (alpha V beta 3)				J Med Chem 44: 1938-50 (2001) BindingDB Entry DOI: 10.7270/Q2QF8S5D
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309007 ((R)-N-(1-(5-(3,5-dichloro-2-(2-methyl-2H-tetrazol-...) Show SMILES CCN(NC(=O)C(F)(F)F)C(=O)N[C@H](C)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1-c1nnn(C)n1 |r| Show InChI InChI=1S/C20H18Cl2F4N8O2/c1-4-34(31-18(35)20(24,25)26)19(36)28-9(2)16-14(23)5-10(8-27-16)12-6-11(21)7-13(22)15(12)17-29-32-33(3)30-17/h5-9H,4H2,1-3H3,(H,28,36)(H,31,35)/t9-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.640	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1225-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.119 BindingDB Entry DOI: 10.7270/Q27P8ZH1
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50293906 ((S)-4-carbamimidoyl-N-(4-(1-(2,4-dichloro-3-((2,4-...) Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)N3CCC[C@H]3C(=O)CCCNC(=O)c3ccc(cc3)C(N)=N)c2n1 |r| Show InChI InChI=1S/C34H35Cl2N5O5S/c1-20-18-21(2)40-32-24(20)6-3-9-29(32)46-19-25-26(35)14-15-30(31(25)36)47(44,45)41-17-5-7-27(41)28(42)8-4-16-39-34(43)23-12-10-22(11-13-23)33(37)38/h3,6,9-15,18,27H,4-5,7-8,16-17,19H2,1-2H3,(H3,37,38)(H,39,43)/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Displacement of [3H]bradykinin from human recombinant B2 receptor expressed in HEK293 cells				J Med Chem 52: 4370-9 (2009) Article DOI: 10.1021/jm9002445 BindingDB Entry DOI: 10.7270/Q2KS6RKT
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309021 (CHEMBL591676 | N-(2-((5'-chloro-3,3'-difluoro-2'-(...) Show SMILES COc1cc(on1)C(=O)Nn1c(NCc2ccc(cc2F)-c2cc(Cl)cc(F)c2-c2noc(C)n2)nc2ccccc12 Show InChI InChI=1S/C28H20ClF2N7O4/c1-14-33-26(37-41-14)25-18(10-17(29)11-20(25)31)15-7-8-16(19(30)9-15)13-32-28-34-21-5-3-4-6-22(21)38(28)35-27(39)23-12-24(40-2)36-42-23/h3-12H,13H2,1-2H3,(H,32,34)(H,35,39)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradykinin B1 receptor in human IMR90 cells pretreated with IL1beta assessed as inhibition of DAKD-induced calcium mobilizatio...				Bioorg Med Chem Lett 20: 1229-32 (2010) Article DOI: 10.1016/j.bmcl.2009.11.120 BindingDB Entry DOI: 10.7270/Q2416X5W
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50100161 (3-Biphenyl-4-yl-5-[N'-(3-guanidino-benzoyl)-hydraz...) Show SMILES [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#6](=O)-[#7]-[#7]-[#6](=O)-[#6]-[#6](-[#6]-[#6](-[#8])=O)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C25H25N5O4/c26-25(27)28-21-8-4-7-19(13-21)24(34)30-29-22(31)14-20(15-23(32)33)18-11-9-17(10-12-18)16-5-2-1-3-6-16/h1-13,20H,14-15H2,(H,29,31)(H,30,34)(H,32,33)(H4,26,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität München Curated by ChEMBL					Assay Description Inhibitory activity against vitronectin receptor (alpha V beta 3)				J Med Chem 44: 1938-50 (2001) BindingDB Entry DOI: 10.7270/Q2QF8S5D
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50100137 (3-({[2-(3-{[(E)-amino(imino)methyl]amino}benzoyl)h...) Show SMILES [#7]\[#6](-[#7])=[#7]\c1cccc(c1)-[#6](=O)-[#7]-[#7]-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#8])=O)-c1ccccc1 Show InChI InChI=1S/C18H20N6O4/c19-17(20)21-13-8-4-7-12(9-13)16(27)23-24-18(28)22-14(10-15(25)26)11-5-2-1-3-6-11/h1-9,14H,10H2,(H,23,27)(H,25,26)(H4,19,20,21)(H2,22,24,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität München Curated by ChEMBL					Assay Description Inhibitory activity against vitronectin receptor (alpha V beta 3)				J Med Chem 44: 1938-50 (2001) BindingDB Entry DOI: 10.7270/Q2QF8S5D
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309619 (3-((5'-chloro-3,3'-difluoro-2'-(2-methyl-2H-tetraz...) Show SMILES Cn1nnc(n1)-c1c(F)cc(Cl)cc1-c1cnc(CNC(=O)N(O)C2CCCC2)c(F)c1 Show InChI InChI=1S/C20H20ClF2N7O2/c1-29-27-19(26-28-29)18-14(7-12(21)8-16(18)23)11-6-15(22)17(24-9-11)10-25-20(31)30(32)13-4-2-3-5-13/h6-9,13,32H,2-5,10H2,1H3,(H,25,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1233-6 (2010) Article DOI: 10.1016/j.bmcl.2009.11.121 BindingDB Entry DOI: 10.7270/Q2RJ4JM5
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50100153 (3-{N-[N'-(5-guanidinobenzoyl)hydrazino]carbonyl}-a...) Show SMILES [#6]-[#8]-c1ccc(cc1)-[#6](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#7]-[#7]-[#6](=O)-c1cccc(c1)\[#7]=[#6](\[#7])-[#7] Show InChI InChI=1S/C19H22N6O5/c1-30-14-7-5-11(6-8-14)15(10-16(26)27)23-19(29)25-24-17(28)12-3-2-4-13(9-12)22-18(20)21/h2-9,15H,10H2,1H3,(H,24,28)(H,26,27)(H4,20,21,22)(H2,23,25,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität München Curated by ChEMBL					Assay Description Inhibitory activity against vitronectin receptor (alpha V beta 3)				J Med Chem 44: 1938-50 (2001) BindingDB Entry DOI: 10.7270/Q2QF8S5D
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309617 (3-((5'-chloro-3,3'-difluoro-2'-(2-methyl-2H-tetraz...) Show SMILES CC(C)N(O)C(=O)NCc1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 Show InChI InChI=1S/C18H18ClF2N7O2/c1-9(2)28(30)18(29)23-8-15-13(20)4-10(7-22-15)12-5-11(19)6-14(21)16(12)17-24-26-27(3)25-17/h4-7,9,30H,8H2,1-3H3,(H,23,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1233-6 (2010) Article DOI: 10.1016/j.bmcl.2009.11.121 BindingDB Entry DOI: 10.7270/Q2RJ4JM5
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50309025 (CHEMBL603668 | N-(4-((5'-chloro-3,3'-difluoro-2'-(...) Show SMILES COc1cc(on1)C(=O)Nc1nonc1NCc1ccc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 Show InChI InChI=1S/C23H16ClF2N7O5/c1-10-28-20(31-36-10)19-14(6-13(24)7-16(19)26)11-3-4-12(15(25)5-11)9-27-21-22(33-38-32-21)29-23(34)17-8-18(35-2)30-37-17/h3-8H,9H2,1-2H3,(H,27,32)(H,29,33,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradykinin B1 receptor in human IMR90 cells pretreated with IL1beta assessed as inhibition of DAKD-induced calcium mobilizatio...				Bioorg Med Chem Lett 20: 1229-32 (2010) Article DOI: 10.1016/j.bmcl.2009.11.120 BindingDB Entry DOI: 10.7270/Q2416X5W
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50308997 (CHEMBL591742 | N-((R)-1-(5-((2R,5S)-2,5-dimethylpy...) Show SMILES CCN(NC(=O)c1cc(F)cc(c1)C(F)(F)F)C(=O)N[C@H](C)c1ncc(cc1F)C(=O)N1[C@@H](C)CC[C@H]1C |r| Show InChI InChI=1S/C25H28F5N5O3/c1-5-34(33-22(36)16-8-18(25(28,29)30)11-19(26)9-16)24(38)32-15(4)21-20(27)10-17(12-31-21)23(37)35-13(2)6-7-14(35)3/h8-15H,5-7H2,1-4H3,(H,32,38)(H,33,36)/t13-,14+,15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at bradikinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization				Bioorg Med Chem Lett 20: 1225-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.119 BindingDB Entry DOI: 10.7270/Q27P8ZH1
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50100171 (5-[N'-(3-Guanidino-benzoyl)-hydrazino]-3-(4-methox...) Show SMILES [#6]-[#8]-c1ccc(cc1)-[#6](-[#6]-[#6](-[#8])=O)-[#6]-[#6](=O)-[#7]-[#7]-[#6](=O)-c1cccc(c1)\[#7]=[#6](/[#7])-[#7] Show InChI InChI=1S/C20H23N5O5/c1-30-16-7-5-12(6-8-16)14(11-18(27)28)10-17(26)24-25-19(29)13-3-2-4-15(9-13)23-20(21)22/h2-9,14H,10-11H2,1H3,(H,24,26)(H,25,29)(H,27,28)(H4,21,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität München Curated by ChEMBL					Assay Description Inhibitory activity against vitronectin receptor (alpha V beta 3)				J Med Chem 44: 1938-50 (2001) BindingDB Entry DOI: 10.7270/Q2QF8S5D
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50100162 (3-{N-[N'-(5-guanidinobenzoyl)hydrazino]carbonyl}-a...) Show SMILES [#7]\[#6](-[#7])=[#7]\c1cccc(c1)-[#6](=O)-[#7]-[#7]-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#8])=O)-c1ccc(Br)cc1 Show InChI InChI=1S/C18H19BrN6O4/c19-12-6-4-10(5-7-12)14(9-15(26)27)23-18(29)25-24-16(28)11-2-1-3-13(8-11)22-17(20)21/h1-8,14H,9H2,(H,24,28)(H,26,27)(H4,20,21,22)(H2,23,25,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität München Curated by ChEMBL					Assay Description Inhibitory activity against vitronectin receptor (alpha V beta 3)				J Med Chem 44: 1938-50 (2001) BindingDB Entry DOI: 10.7270/Q2QF8S5D
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50100157 (3-{N-[N'-(5-guanidinobenzoyl)hydrazino]carbonyl}-a...) Show SMILES [#7]\[#6](-[#7])=[#7]\c1cccc(c1)-[#6](=O)-[#7]-[#7]-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C18H18Cl2N6O4/c19-11-4-10(5-12(20)7-11)14(8-15(27)28)24-18(30)26-25-16(29)9-2-1-3-13(6-9)23-17(21)22/h1-7,14H,8H2,(H,25,29)(H,27,28)(H4,21,22,23)(H2,24,26,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universität München Curated by ChEMBL					Assay Description Inhibitory activity against vitronectin receptor (alpha V beta 3)				J Med Chem 44: 1938-50 (2001) BindingDB Entry DOI: 10.7270/Q2QF8S5D
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Homo sapiens (Human))	BDBM50293904 (1-((4-methyl-3-((2-methyl-4-(4-methyl-1H-pyrazol-5...) Show SMILES Cc1c[nH]nc1-c1cc(C)nc2c(OCc3c(C)ccnc3Cn3cccc(c3=O)C(F)(F)F)cccc12 Show InChI InChI=1S/C28H24F3N5O2/c1-16-9-10-32-23(14-36-11-5-7-22(27(36)37)28(29,30)31)21(16)15-38-24-8-4-6-19-20(12-18(3)34-26(19)24)25-17(2)13-33-35-25/h4-13H,14-15H2,1-3H3,(H,33,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Jerini AG Curated by ChEMBL					Assay Description Antagonist activity at B2 receptor in human HF15 cells assessed as inhibition of bradykinin-induced calcium mobilization				J Med Chem 52: 4370-9 (2009) Article DOI: 10.1021/jm9002445 BindingDB Entry DOI: 10.7270/Q2KS6RKT
					More data for this Ligand-Target Pair

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