Compile Data Set for Download or QSAR

Found 1426 hits with Last Name = 'kast' and Initial = 'r'   

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
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50086170 ((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human A2B adenosine receptor				Eur J Med Chem 163: 763-778 (2019) Article DOI: 10.1016/j.ejmech.2018.11.045 BindingDB Entry DOI: 10.7270/Q24J0JKM
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM520995 ((+)-5-[({6-Bromo-3-methyl-2-[(2H8)pyrrolidin-1-yl]...) Show SMILES Cc1c(nc2ccc(Br)cc2c1C(=O)NC[C@H](CCC(O)=O)c1ccccc1Cl)N1CCCC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]PGF2alpha from full-length recombinant human FP receptor expressed in HEK293 cell membranes measured after 60 mins by scintillati...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00834 BindingDB Entry DOI: 10.7270/Q2FJ2MC9
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50336977 (CHEMBL1672627 | N-[5-(3-Fluoropyridin-4-yl)-6-pyri...) Show SMILES Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1cccnc1 Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-7-5-13(14)17-16(12-2-1-6-20-8-12)23-15(10-22-17)24-18(25)11-3-4-11/h1-2,5-11H,3-4H2,(H,23,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human A2B adenosine receptor				Eur J Med Chem 163: 763-778 (2019) Article DOI: 10.1016/j.ejmech.2018.11.045 BindingDB Entry DOI: 10.7270/Q24J0JKM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50531422 (CHEMBL4522981) Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(C(=O)N3CCC(O)CC3)c(C)c2c1=O Show InChI InChI=1S/C18H22F3N3O4S/c1-3-23-14(26)12-10(2)13(15(27)22-7-4-11(25)5-8-22)29-16(12)24(17(23)28)9-6-18(19,20)21/h11,25H,3-9H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human A2A adenosine receptor expressed in HEK293 cell membranes after 120 mins by radioligand displacement assay				Eur J Med Chem 163: 763-778 (2019) Article DOI: 10.1016/j.ejmech.2018.11.045 BindingDB Entry DOI: 10.7270/Q24J0JKM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50531422 (CHEMBL4522981) Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(C(=O)N3CCC(O)CC3)c(C)c2c1=O Show InChI InChI=1S/C18H22F3N3O4S/c1-3-23-14(26)12-10(2)13(15(27)22-7-4-11(25)5-8-22)29-16(12)24(17(23)28)9-6-18(19,20)21/h11,25H,3-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A1 adenosine receptor expressed in CHO cell membranes after 60 mins by radioligand displacement assay				Eur J Med Chem 163: 763-778 (2019) Article DOI: 10.1016/j.ejmech.2018.11.045 BindingDB Entry DOI: 10.7270/Q24J0JKM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50531422 (CHEMBL4522981) Show SMILES CCn1c(=O)n(CCC(F)(F)F)c2sc(C(=O)N3CCC(O)CC3)c(C)c2c1=O Show InChI InChI=1S/C18H22F3N3O4S/c1-3-23-14(26)12-10(2)13(15(27)22-7-4-11(25)5-8-22)29-16(12)24(17(23)28)9-6-18(19,20)21/h11,25H,3-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human A3 adenosine receptor expressed in HEK293 cell membranes after 120 mins by radioligand displacement assay				Eur J Med Chem 163: 763-778 (2019) Article DOI: 10.1016/j.ejmech.2018.11.045 BindingDB Entry DOI: 10.7270/Q24J0JKM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM10849 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...) Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human A2B adenosine receptor				Eur J Med Chem 163: 763-778 (2019) Article DOI: 10.1016/j.ejmech.2018.11.045 BindingDB Entry DOI: 10.7270/Q24J0JKM
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM520924 (US11149018, Example 205) Show SMILES CC[C@H]1CCCN(C1)c1nc2ccc(Br)cc2c(C(=O)NC[C@H](CCC(O)=O)c2ccccc2OC(F)(F)F)c1C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the characterization of test substances in respect of FP antagonism, PGF2α-induced calcium flux in FP-expressing CHEM1 cells (Millipore, HTS...				Citation and Details BindingDB Entry DOI: 10.7270/Q25X2D3J
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM520771 (US11149018, Example 58) Show SMILES CC[C@H]1CCCN(C1)c1nc2ccc(Br)cc2c(C(=O)NC[C@H](CCC(O)=O)c2ccccc2Cl)c1C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the characterization of test substances in respect of FP antagonism, PGF2α-induced calcium flux in FP-expressing CHEM1 cells (Millipore, HTS...				Citation and Details BindingDB Entry DOI: 10.7270/Q25X2D3J
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM520770 ((+/−)-5-[({6-Bromo-2-[3-ethylpiperidin-1-yl]...) Show SMILES CCC1CCCN(C1)c1nc2ccc(Br)cc2c(C(=O)NCC(CCC(O)=O)c2ccccc2Cl)c1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human FPR expressed in human Chem-1 cells assessed as inhibition of PGF2alpha-induced calcium flux preincubated for 10 mins fo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00834 BindingDB Entry DOI: 10.7270/Q2FJ2MC9
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM520770 ((+/−)-5-[({6-Bromo-2-[3-ethylpiperidin-1-yl]...) Show SMILES CCC1CCCN(C1)c1nc2ccc(Br)cc2c(C(=O)NCC(CCC(O)=O)c2ccccc2Cl)c1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human FPR expressed in human Chem-1 cells assessed as inhibition of PGF2alpha-induced calcium flux preincubated for 10 mins fo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00834 BindingDB Entry DOI: 10.7270/Q2FJ2MC9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50327343 (2-(4-(8-fluoroquinoxalin-6-yl)-3-methyl-1-o-tolyl-...) Show SMILES Cc1nn(c(Nc2ccccc2C(O)=O)c1-c1cc(F)c2nccnc2c1)-c1ccccc1C Show InChI InChI=1S/C26H20FN5O2/c1-15-7-3-6-10-22(15)32-25(30-20-9-5-4-8-18(20)26(33)34)23(16(2)31-32)17-13-19(27)24-21(14-17)28-11-12-29-24/h3-14,30H,1-2H3,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Schering Pharma AG Curated by ChEMBL					Assay Description Antagonist activity at adenosine A1 receptor by cAMP assay				Bioorg Med Chem Lett 20: 5891-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.095 BindingDB Entry DOI: 10.7270/Q2FQ9WV8
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM520911 (US11149018, Example 193) Show SMILES CC[C@H]1CCCN(C1)c1nc2ccc(Br)cc2c(C(=O)NC[C@H](CCC(O)=O)c2ccccc2C(F)(F)F)c1C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the characterization of test substances in respect of FP antagonism, PGF2α-induced calcium flux in FP-expressing CHEM1 cells (Millipore, HTS...				Citation and Details BindingDB Entry DOI: 10.7270/Q25X2D3J
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM520868 (US11149018, Example 152) Show SMILES Cc1c(nc2ccc(Br)cc2c1C(=O)NC[C@H](CCC(O)=O)c1c(F)ccc(F)c1Cl)N1CCCCC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the characterization of test substances in respect of FP antagonism, PGF2α-induced calcium flux in FP-expressing CHEM1 cells (Millipore, HTS...				Citation and Details BindingDB Entry DOI: 10.7270/Q25X2D3J
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM520929 (US11149018, Example 210) Show SMILES C[C@@H]1CCCN(C1)c1nc2ccc(Br)cc2c(C(=O)NC[C@H](CCC(O)=O)c2ccccc2OC(F)(F)F)c1C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the characterization of test substances in respect of FP antagonism, PGF2α-induced calcium flux in FP-expressing CHEM1 cells (Millipore, HTS...				Citation and Details BindingDB Entry DOI: 10.7270/Q25X2D3J
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM520869 (US11149018, Example 153 | US11149018, Example 274) Show SMILES Cc1c(nc2ccc(Br)cc2c1C(=O)NC[C@@H](CCC(O)=O)c1c(F)ccc(F)c1Cl)N1CCCCC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the characterization of test substances in respect of FP antagonism, PGF2α-induced calcium flux in FP-expressing CHEM1 cells (Millipore, HTS...				Citation and Details BindingDB Entry DOI: 10.7270/Q25X2D3J
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM520939 (US11149018, Example 220) Show SMILES Cc1c(nc2ccc(Br)cc2c1C(=O)NC[C@@H](CCC(O)=O)c1c(F)ccc(F)c1Cl)N1CCCCCC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the characterization of test substances in respect of FP antagonism, PGF2α-induced calcium flux in FP-expressing CHEM1 cells (Millipore, HTS...				Citation and Details BindingDB Entry DOI: 10.7270/Q25X2D3J
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM520843 (US11149018, Example 127) Show SMILES Cc1c(nc2ccc(Br)cc2c1C(=O)NC[C@H](CCC(O)=O)c1ccccc1OC(F)(F)F)N1CCCCC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the characterization of test substances in respect of FP antagonism, PGF2α-induced calcium flux in FP-expressing CHEM1 cells (Millipore, HTS...				Citation and Details BindingDB Entry DOI: 10.7270/Q25X2D3J
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM520770 ((+/−)-5-[({6-Bromo-2-[3-ethylpiperidin-1-yl]...) Show SMILES CCC1CCCN(C1)c1nc2ccc(Br)cc2c(C(=O)NCC(CCC(O)=O)c2ccccc2Cl)c1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human FPR expressed in human Chem-1 cells assessed as inhibition of PGF2alpha-induced calcium flux preincubated for 10 mins fo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00834 BindingDB Entry DOI: 10.7270/Q2FJ2MC9
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM520774 (US11149018, Example 61) Show SMILES CC[C@@H]1CCCN(C1)c1nc2ccc(Br)cc2c(C(=O)NC[C@@H](CCC(O)=O)c2ccccc2Cl)c1C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the characterization of test substances in respect of FP antagonism, PGF2α-induced calcium flux in FP-expressing CHEM1 cells (Millipore, HTS...				Citation and Details BindingDB Entry DOI: 10.7270/Q25X2D3J
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM520770 ((+/−)-5-[({6-Bromo-2-[3-ethylpiperidin-1-yl]...) Show SMILES CCC1CCCN(C1)c1nc2ccc(Br)cc2c(C(=O)NCC(CCC(O)=O)c2ccccc2Cl)c1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.840	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the characterization of test substances in respect of FP antagonism, PGF2α-induced calcium flux in FP-expressing CHEM1 cells (Millipore, HTS...				Citation and Details BindingDB Entry DOI: 10.7270/Q25X2D3J
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM520844 (US11149018, Example 128 | US11149018, Example 272) Show SMILES Cc1c(nc2ccc(Br)cc2c1C(=O)NC[C@@H](CCC(O)=O)c1ccccc1OC(F)(F)F)N1CCCCC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.850	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the characterization of test substances in respect of FP antagonism, PGF2α-induced calcium flux in FP-expressing CHEM1 cells (Millipore, HTS...				Citation and Details BindingDB Entry DOI: 10.7270/Q25X2D3J
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM523442 (US11136296, Example 173 | US11136296, Example 222 ...) Show SMILES Cc1c(nc2ccc(Br)cc2c1C(=O)NC[C@H](CCC(O)=O)c1c(F)ccc(F)c1Cl)-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.960	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the characterization of test substances in respect of FP antagonism, PGF2α-induced calcium flux in FP-expressing CHEM1 cells (Millipore, HTS...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NS0Z2X
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM50547366 (CHEMBL4761725) Show SMILES COc1ccccc1C(C)CNC(=O)c1c(C)c(nc2ccc(Br)cc12)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]PGF2alpha from full-length recombinant human FP receptor expressed in HEK293 cell membranes measured after 60 mins by scintillati...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00834 BindingDB Entry DOI: 10.7270/Q2FJ2MC9
					More data for this Ligand-Target Pair
chymase (Mesocricetus auratus (Golden hamster))	BDBM255962 (US9481672, 140) Show SMILES CCn1c2cc(ccc2n(C)c1=O)-n1cc(C(O)=O)c(=O)n(Cc2cccc(c2Cl)C(F)(F)F)c1=O Show InChI InChI=1S/C23H18ClF3N4O5/c1-3-29-17-9-13(7-8-16(17)28(2)21(29)35)30-11-14(20(33)34)19(32)31(22(30)36)10-12-5-4-6-15(18(12)24)23(25,26)27/h4-9,11H,3,10H2,1-2H3,(H,33,34)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...				US Patent US9481672 (2016) BindingDB Entry DOI: 10.7270/Q20P0XZ7
					More data for this Ligand-Target Pair
chymase (Mesocricetus auratus (Golden hamster))	BDBM255964 (US9481672, 142) Show SMILES Cn1c2ccc(cc2n(CC(F)(F)F)c1=O)-n1cc(C(O)=O)c(=O)n(Cc2cccc(Cl)c2C(F)(F)F)c1=O Show InChI InChI=1S/C23H15ClF6N4O5/c1-31-15-6-5-12(7-16(15)34(20(31)38)10-22(25,26)27)32-9-13(19(36)37)18(35)33(21(32)39)8-11-3-2-4-14(24)17(11)23(28,29)30/h2-7,9H,8,10H2,1H3,(H,36,37)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...				US Patent US9481672 (2016) BindingDB Entry DOI: 10.7270/Q20P0XZ7
					More data for this Ligand-Target Pair
chymase (Mesocricetus auratus (Golden hamster))	BDBM255968 (US9481672, 146) Show SMILES Cc1c(Cn2c(=O)c(cn(-c3ccc4n(C)c(=O)n(CC5CC5)c4c3)c2=O)C(O)=O)cccc1C(F)(F)F Show InChI InChI=1S/C26H23F3N4O5/c1-14-16(4-3-5-19(14)26(27,28)29)12-33-22(34)18(23(35)36)13-31(25(33)38)17-8-9-20-21(10-17)32(11-15-6-7-15)24(37)30(20)2/h3-5,8-10,13,15H,6-7,11-12H2,1-2H3,(H,35,36)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...				US Patent US9481672 (2016) BindingDB Entry DOI: 10.7270/Q20P0XZ7
					More data for this Ligand-Target Pair
chymase (Mesocricetus auratus (Golden hamster))	BDBM256064 (US9481672, 246) Show SMILES Cn1c2ccc(cc2n(CC(O)C(F)(F)F)c1=O)-n1cc(C(O)=O)c(=O)n([C@@H]2CCc3c2cccc3C(F)(F)F)c1=O |r| Show InChI InChI=1S/C26H20F6N4O6/c1-33-18-7-5-12(9-19(18)35(23(33)41)11-20(37)26(30,31)32)34-10-15(22(39)40)21(38)36(24(34)42)17-8-6-13-14(17)3-2-4-16(13)25(27,28)29/h2-5,7,9-10,17,20,37H,6,8,11H2,1H3,(H,39,40)/t17-,20?/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...				US Patent US9481672 (2016) BindingDB Entry DOI: 10.7270/Q20P0XZ7
					More data for this Ligand-Target Pair
chymase (Mesocricetus auratus (Golden hamster))	BDBM256065 (US9481672, 247) Show SMILES Cn1c2ccc(cc2n(CCC(F)(F)F)c1=O)-n1cc(C(O)=O)c(=O)n([C@@H]2CCc3c2cccc3C(F)(F)F)c1=O |r| Show InChI InChI=1S/C26H20F6N4O5/c1-33-19-7-5-13(11-20(19)34(23(33)40)10-9-25(27,28)29)35-12-16(22(38)39)21(37)36(24(35)41)18-8-6-14-15(18)3-2-4-17(14)26(30,31)32/h2-5,7,11-12,18H,6,8-10H2,1H3,(H,38,39)/t18-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...				US Patent US9481672 (2016) BindingDB Entry DOI: 10.7270/Q20P0XZ7
					More data for this Ligand-Target Pair
chymase (Mesocricetus auratus (Golden hamster))	BDBM256036 (US9481672, 217) Show SMILES CC(C)n1c2cc(ccc2n(C)c1=O)-n1cc(C(O)=O)c(=O)n([C@@H]2CCc3c2cccc3C(F)(F)F)c1=O |r| Show InChI InChI=1S/C26H23F3N4O5/c1-13(2)32-21-11-14(7-9-20(21)30(3)24(32)37)31-12-17(23(35)36)22(34)33(25(31)38)19-10-8-15-16(19)5-4-6-18(15)26(27,28)29/h4-7,9,11-13,19H,8,10H2,1-3H3,(H,35,36)/t19-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...				US Patent US9481672 (2016) BindingDB Entry DOI: 10.7270/Q20P0XZ7
					More data for this Ligand-Target Pair
chymase (Mesocricetus auratus (Golden hamster))	BDBM256099 (US9481672, 281) Show SMILES Cn1c2ccc(cc2n(C)c1=O)-n1cc(C(O)=O)c(=O)n([C@@H]2CCCc3c2cccc3C(F)(F)F)c1=O |r| Show InChI InChI=1S/C25H21F3N4O5/c1-29-19-10-9-13(11-20(19)30(2)23(29)36)31-12-16(22(34)35)21(33)32(24(31)37)18-8-4-5-14-15(18)6-3-7-17(14)25(26,27)28/h3,6-7,9-12,18H,4-5,8H2,1-2H3,(H,34,35)/t18-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used for ch...				US Patent US9481672 (2016) BindingDB Entry DOI: 10.7270/Q20P0XZ7
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM520944 (5-[({6-Bromo-2-[3-ethylpiperidin-1-yl]-3-methylqui...) Show SMILES CC[C@H]1CCCN(C1)c1nc2ccc(Br)cc2c(C(=O)NC[C@H](CCC(O)=O)c2cc(F)ccc2F)c1C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the characterization of test substances in respect of FP antagonism, PGF2α-induced calcium flux in FP-expressing CHEM1 cells (Millipore, HTS...				Citation and Details BindingDB Entry DOI: 10.7270/Q25X2D3J
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM520852 (US11149018, Example 136) Show SMILES Cc1c(nc2ccc(Br)cc2c1C(=O)NC[C@H](CCC(O)=O)c1ccccc1OC(F)(F)F)N1CCCCCC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the characterization of test substances in respect of FP antagonism, PGF2α-induced calcium flux in FP-expressing CHEM1 cells (Millipore, HTS...				Citation and Details BindingDB Entry DOI: 10.7270/Q25X2D3J
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM523442 (US11136296, Example 173 | US11136296, Example 222 ...) Show SMILES Cc1c(nc2ccc(Br)cc2c1C(=O)NC[C@H](CCC(O)=O)c1c(F)ccc(F)c1Cl)-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the characterization of test substances in respect of FP antagonism, PGF2α-induced calcium flux in FP-expressing CHEM1 cells (Millipore, HTS...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NS0Z2X
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM520761 (US11149018, Example 48) Show SMILES C[C@H]1CCCN(C1)c1nc2ccc(Br)cc2c(C(=O)NC[C@@H](CCC(O)=O)c2ccccc2Cl)c1C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the characterization of test substances in respect of FP antagonism, PGF2α-induced calcium flux in FP-expressing CHEM1 cells (Millipore, HTS...				Citation and Details BindingDB Entry DOI: 10.7270/Q25X2D3J
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM523470 (US11136296, Example 201) Show SMILES Cc1c(nc2ccc(Br)cc2c1C(=O)NC[C@H](CCC(O)=O)c1c(Cl)ccc(F)c1F)-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the characterization of test substances in respect of FP antagonism, PGF2α-induced calcium flux in FP-expressing CHEM1 cells (Millipore, HTS...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NS0Z2X
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM520937 (US11149018, Example 218) Show SMILES Cc1c(nc2ccc(Br)cc2c1C(=O)NC[C@@H](CCC(O)=O)c1c(F)ccc(F)c1Cl)N1CCCC(F)(F)C1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the characterization of test substances in respect of FP antagonism, PGF2α-induced calcium flux in FP-expressing CHEM1 cells (Millipore, HTS...				Citation and Details BindingDB Entry DOI: 10.7270/Q25X2D3J
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM520759 (US11149018, Example 46) Show SMILES C[C@H]1CCCN(C1)c1nc2ccc(Br)cc2c(C(=O)NC[C@H](CCC(O)=O)c2ccccc2Cl)c1C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the characterization of test substances in respect of FP antagonism, PGF2α-induced calcium flux in FP-expressing CHEM1 cells (Millipore, HTS...				Citation and Details BindingDB Entry DOI: 10.7270/Q25X2D3J
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM520867 ((+/−)-5-({[6-Bromo-3-methyl-2-(piperidin-1-y...) Show SMILES Cc1c(nc2ccc(Br)cc2c1C(=O)NCC(CCC(O)=O)c1c(F)ccc(F)c1Cl)N1CCCCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the characterization of test substances in respect of FP antagonism, PGF2α-induced calcium flux in FP-expressing CHEM1 cells (Millipore, HTS...				Citation and Details BindingDB Entry DOI: 10.7270/Q25X2D3J
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50327327 (2-(4-(4-fluorophenyl)-3-methyl-1-o-tolyl-1H-pyrazo...) Show SMILES COc1ccc(Nc2c(c(C)nn2-c2ccccc2C)-c2ccc(F)cc2)c(c1)C(O)=O Show InChI InChI=1S/C25H22FN3O3/c1-15-6-4-5-7-22(15)29-24(23(16(2)28-29)17-8-10-18(26)11-9-17)27-21-13-12-19(32-3)14-20(21)25(30)31/h4-14,27H,1-3H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.39	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Schering Pharma AG Curated by ChEMBL					Assay Description Antagonist activity at adenosine A1 receptor by cAMP assay				Bioorg Med Chem Lett 20: 5891-4 (2010) Article DOI: 10.1016/j.bmcl.2010.07.095 BindingDB Entry DOI: 10.7270/Q2FQ9WV8
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM520958 ((+)-5-({[2-(Azepan-1-yl)-6-bromo-3-methylquinolin-...) Show SMILES COc1ccccc1[C@@H](CCC(O)=O)CNC(=O)c1c(C)c(nc2ccc(Br)cc12)N1CCCCCC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the characterization of test substances in respect of FP antagonism, PGF2α-induced calcium flux in FP-expressing CHEM1 cells (Millipore, HTS...				Citation and Details BindingDB Entry DOI: 10.7270/Q25X2D3J
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM520927 (US11149018, Example 208) Show SMILES CC[C@@H]1CCCN(C1)c1nc2ccc(Br)cc2c(C(=O)NC[C@@H](CCC(O)=O)c2ccccc2OC(F)(F)F)c1C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the characterization of test substances in respect of FP antagonism, PGF2α-induced calcium flux in FP-expressing CHEM1 cells (Millipore, HTS...				Citation and Details BindingDB Entry DOI: 10.7270/Q25X2D3J
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM520954 ((+)-5-({[6-Bromo-3-methyl-2-(piperidin-1-yl)quinol...) Show SMILES COc1ccccc1[C@@H](CCC(O)=O)CNC(=O)c1c(C)c(nc2ccc(Br)cc12)N1CCCCC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the characterization of test substances in respect of FP antagonism, PGF2α-induced calcium flux in FP-expressing CHEM1 cells (Millipore, HTS...				Citation and Details BindingDB Entry DOI: 10.7270/Q25X2D3J
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM520877 (US11149018, Example 161) Show SMILES Cc1c(nc2ccc(Br)cc2c1C(=O)NC[C@H](CCC(O)=O)c1c(F)cccc1C(F)(F)F)N1CCCCC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the characterization of test substances in respect of FP antagonism, PGF2α-induced calcium flux in FP-expressing CHEM1 cells (Millipore, HTS...				Citation and Details BindingDB Entry DOI: 10.7270/Q25X2D3J
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM520861 (US11149018, Example 145) Show SMILES Cc1c(nc2ccc(Br)cc2c1C(=O)NC[C@H](CCC(O)=O)c1c(Cl)ccc(F)c1F)N1CCCCC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the characterization of test substances in respect of FP antagonism, PGF2α-induced calcium flux in FP-expressing CHEM1 cells (Millipore, HTS...				Citation and Details BindingDB Entry DOI: 10.7270/Q25X2D3J
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM520855 (5-[({6-Bromo-2-[3-ethylpiperidin-1-yl]-3-methylqui...) Show SMILES CCC1CCCN(C1)c1nc2ccc(Br)cc2c(C(=O)NCC(CCC(O)=O)c2ccccc2OC(F)(F)F)c1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the characterization of test substances in respect of FP antagonism, PGF2α-induced calcium flux in FP-expressing CHEM1 cells (Millipore, HTS...				Citation and Details BindingDB Entry DOI: 10.7270/Q25X2D3J
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM523496 (US11136296, Example 227) Show SMILES Cc1c(nc2ccc(Br)cc2c1C(=O)NC[C@@H](CCC(O)=O)c1c(F)cccc1C(F)(F)F)-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the characterization of test substances in respect of FP antagonism, PGF2α-induced calcium flux in FP-expressing CHEM1 cells (Millipore, HTS...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NS0Z2X
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM520901 (US11149018, Example 183) Show SMILES Cc1c(nc2ccc(Br)cc2c1C(=O)NC[C@H](CCC(O)=O)c1c(F)cccc1OC(F)F)N1CCCCC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the characterization of test substances in respect of FP antagonism, PGF2α-induced calcium flux in FP-expressing CHEM1 cells (Millipore, HTS...				Citation and Details BindingDB Entry DOI: 10.7270/Q25X2D3J
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM520918 (US11149018, Example 199) Show SMILES C[C@H]1CCCN(C1)c1nc2ccc(Br)cc2c(C(=O)NC[C@@H](CCC(O)=O)c2ccccc2C(F)(F)F)c1C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the characterization of test substances in respect of FP antagonism, PGF2α-induced calcium flux in FP-expressing CHEM1 cells (Millipore, HTS...				Citation and Details BindingDB Entry DOI: 10.7270/Q25X2D3J
					More data for this Ligand-Target Pair
Prostaglandin F2-alpha receptor (Homo sapiens (Human))	BDBM520874 (5-[({6-Bromo-2-[3-ethylpiperidin-1-yl]-3-methylqui...) Show SMILES CCC1CCCN(C1)c1nc2ccc(Br)cc2c(C(=O)NCC(CCC(O)=O)c2c(F)ccc(F)c2Cl)c1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the characterization of test substances in respect of FP antagonism, PGF2α-induced calcium flux in FP-expressing CHEM1 cells (Millipore, HTS...				Citation and Details BindingDB Entry DOI: 10.7270/Q25X2D3J
					More data for this Ligand-Target Pair

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