Compile Data Set for Download or QSAR

Found 2585 hits with Last Name = 'aissaoui' and Initial = 'h'   

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
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50555343 (CHEMBL4782111 | US11306078, Example 4.032) Show SMILES Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to SNAP-tag fused human CXCR7 expressed in HEK293 cells by HTRF assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01588 BindingDB Entry DOI: 10.7270/Q20P13P3
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205858 (US9255090, 327) Show SMILES CCOc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CC1CCOc2cc(F)ccc12 Show InChI InChI=1S/C30H29F2NO5/c1-2-37-27-13-18(14-30(35)36)3-5-24(27)22-7-8-26(32)23-9-11-33(17-25(22)23)29(34)15-19-10-12-38-28-16-20(31)4-6-21(19)28/h3-8,13,16,19H,2,9-12,14-15,17H2,1H3,(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.0	25
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189204 (US9169270, 76) Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCc1cccc(F)c1 Show InChI InChI=1S/C22H18ClFN2O5S/c23-14-4-5-18(30-11-19(27)28)16(9-14)20-21-17(25-12-32-21)6-7-26(20)22(29)31-10-13-2-1-3-15(24)8-13/h1-5,8-9,12,20H,6-7,10-11H2,(H,27,28)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205626 (US9255090, 95) Show SMILES COc1ccc(CC(O)=O)cc1-c1ccc(F)c2CCN(Cc12)C(=O)C1CC1c1ccccc1C(F)(F)F Show InChI InChI=1S/C29H25F4NO4/c1-38-26-9-6-16(13-27(35)36)12-21(26)17-7-8-25(30)19-10-11-34(15-23(17)19)28(37)22-14-20(22)18-4-2-3-5-24(18)29(31,32)33/h2-9,12,20,22H,10-11,13-15H2,1H3,(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.220	n/a	n/a	n/a	n/a	7.0	25
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205728 (US9255090, 197) Show SMILES CCCOc1ccc(CC(O)=O)cc1-c1ccc(F)c2CCN(Cc12)C(=O)OCc1ccccc1 Show InChI InChI=1S/C28H28FNO5/c1-2-14-34-26-11-8-20(16-27(31)32)15-23(26)21-9-10-25(29)22-12-13-30(17-24(21)22)28(33)35-18-19-6-4-3-5-7-19/h3-11,15H,2,12-14,16-18H2,1H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.280	n/a	n/a	n/a	n/a	7.0	25
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205727 (US9255090, 196) Show SMILES OC(=O)Cc1ccc(OCC2CC2)c(c1)-c1ccc(F)c2CCN(Cc12)C(=O)OCc1ccccc1 Show InChI InChI=1S/C29H28FNO5/c30-26-10-9-22(24-14-21(15-28(32)33)8-11-27(24)35-17-20-6-7-20)25-16-31(13-12-23(25)26)29(34)36-18-19-4-2-1-3-5-19/h1-5,8-11,14,20H,6-7,12-13,15-18H2,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.280	n/a	n/a	n/a	n/a	7.0	25
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM549581 ((3R*,4R*)-1-Cyclohexyl-4-{[5-(2,4-difluoro-phenyl)...) Show SMILES CC(C)(NC(=O)[C@@H]1CN(CC[C@H]1NC(=O)c1cc(on1)-c1ccc(F)cc1F)C1CCCCC1)c1ccccn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Tango CXCR7-bla U2OS cells are detached from culture dishes with 0.05% trypsin-EDTA and collected in growing medium (McCoy's 5A 90% (v/v), dialyz...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185P5
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM549988 ((3S,4S)-1-Cyclopropylmethyl-4-{[5-(2,4-difluoro-ph...) Show SMILES CC(C)(NC(=O)[C@H]1CN(CC2CC2)CC[C@@H]1NC(=O)c1cc(on1)-c1ccc(F)cc1F)c1ccccn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Tango CXCR7-bla U2OS cells are detached from culture dishes with 0.05% trypsin-EDTA and collected in growing medium (McCoy's 5A 90% (v/v), dialyz...				Citation and Details BindingDB Entry DOI: 10.7270/Q2S185P5
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189201 (US9169270, 73) Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCc1c(F)cccc1F Show InChI InChI=1S/C22H17ClF2N2O5S/c23-12-4-5-18(31-10-19(28)29)13(8-12)20-21-17(26-11-33-21)6-7-27(20)22(30)32-9-14-15(24)2-1-3-16(14)25/h1-5,8,11,20H,6-7,9-10H2,(H,28,29)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189192 (US9169270, 64) Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCc1cc(F)ccc1Cl Show InChI InChI=1S/C22H17Cl2FN2O5S/c23-13-1-4-18(31-10-19(28)29)15(8-13)20-21-17(26-11-33-21)5-6-27(20)22(30)32-9-12-7-14(25)2-3-16(12)24/h1-4,7-8,11,20H,5-6,9-10H2,(H,28,29)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205768 (US9255090, 237) Show SMILES CCOc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CC(C)(C)c1ccc(F)cc1 Show InChI InChI=1S/C30H31F2NO4/c1-4-37-27-15-19(16-29(35)36)5-10-24(27)22-11-12-26(32)23-13-14-33(18-25(22)23)28(34)17-30(2,3)20-6-8-21(31)9-7-20/h5-12,15H,4,13-14,16-18H2,1-3H3,(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.0	25
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205766 (US9255090, 235) Show SMILES CCOc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CC1COc2ccccc12 Show InChI InChI=1S/C29H28FNO5/c1-2-35-27-13-18(14-29(33)34)7-8-23(27)21-9-10-25(30)22-11-12-31(16-24(21)22)28(32)15-19-17-36-26-6-4-3-5-20(19)26/h3-10,13,19H,2,11-12,14-17H2,1H3,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.0	25
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50555334 (CHEMBL4758472 | US11306078, Example 1.001b) Show SMILES CC(C)(NC(=O)[C@H]1CN(CC[C@@H]1NC(=O)c1cc(on1)-c1ccc(F)cc1F)C1CCCCC1)c1ccccn1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at CXCR7 (unknown origin) expressed in human U2OS cells co-expressing beta-arrestin assessed as reduction in CXCL12-alpha induced...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01588 BindingDB Entry DOI: 10.7270/Q20P13P3
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189187 (US9169270, 59) Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCc1ccc(F)cc1F Show InChI InChI=1S/C22H17ClF2N2O5S/c23-13-2-4-18(31-10-19(28)29)15(7-13)20-21-17(26-11-33-21)5-6-27(20)22(30)32-9-12-1-3-14(24)8-16(12)25/h1-4,7-8,11,20H,5-6,9-10H2,(H,28,29)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189195 (US9169270, 67) Show SMILES CC(C)CCOC(=O)N1CCc2ncsc2[C@H]1c1cc(Cl)ccc1OCC(O)=O Show InChI InChI=1S/C20H23ClN2O5S/c1-12(2)6-8-27-20(26)23-7-5-15-19(29-11-22-15)18(23)14-9-13(21)3-4-16(14)28-10-17(24)25/h3-4,9,11-12,18H,5-8,10H2,1-2H3,(H,24,25)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205714 (US9255090, 183) Show SMILES COc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CCc1cn(C)c2ccccc12 Show InChI InChI=1S/C30H29FN2O4/c1-32-17-20(21-5-3-4-6-27(21)32)8-12-29(34)33-14-13-23-25(18-33)22(10-11-26(23)31)24-9-7-19(16-30(35)36)15-28(24)37-2/h3-7,9-11,15,17H,8,12-14,16,18H2,1-2H3,(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.460	n/a	n/a	n/a	n/a	7.0	25
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205730 (US9255090, 199) Show SMILES COCCOc1ccc(CC(O)=O)cc1-c1ccc(F)c2CCN(Cc12)C(=O)OCc1ccccc1 Show InChI InChI=1S/C28H28FNO6/c1-34-13-14-35-26-10-7-20(16-27(31)32)15-23(26)21-8-9-25(29)22-11-12-30(17-24(21)22)28(33)36-18-19-5-3-2-4-6-19/h2-10,15H,11-14,16-18H2,1H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.490	n/a	n/a	n/a	n/a	7.0	25
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189196 (US9169270, 68) Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCc1cc(Cl)ccc1F Show InChI InChI=1S/C22H17Cl2FN2O5S/c23-13-1-3-16(25)12(7-13)9-32-22(30)27-6-5-17-21(33-11-26-17)20(27)15-8-14(24)2-4-18(15)31-10-19(28)29/h1-4,7-8,11,20H,5-6,9-10H2,(H,28,29)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189199 (US9169270, 71) Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCc1cccc(F)c1F Show InChI InChI=1S/C22H17ClF2N2O5S/c23-13-4-5-17(31-10-18(28)29)14(8-13)20-21-16(26-11-33-21)6-7-27(20)22(30)32-9-12-2-1-3-15(24)19(12)25/h1-5,8,11,20H,6-7,9-10H2,(H,28,29)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205880 (US9255090, 349) Show SMILES CCOc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CCc1ccccn1 Show InChI InChI=1S/C27H27FN2O4/c1-2-34-25-15-18(16-27(32)33)6-8-22(25)20-9-10-24(28)21-12-14-30(17-23(20)21)26(31)11-7-19-5-3-4-13-29-19/h3-6,8-10,13,15H,2,7,11-12,14,16-17H2,1H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.0	25
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205719 (US9255090, 188) Show SMILES COc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CC(C)(C)c1ccccc1 Show InChI InChI=1S/C29H30FNO4/c1-29(2,20-7-5-4-6-8-20)17-27(32)31-14-13-22-24(18-31)21(11-12-25(22)30)23-10-9-19(16-28(33)34)15-26(23)35-3/h4-12,15H,13-14,16-18H2,1-3H3,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.530	n/a	n/a	n/a	n/a	7.0	25
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205731 (US9255090, 200 | US9255090, 201 | US9255090, 359) Show SMILES COc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CC1CCOc2ccccc12 Show InChI InChI=1S/C29H28FNO5/c1-35-27-14-18(15-29(33)34)6-7-23(27)21-8-9-25(30)22-10-12-31(17-24(21)22)28(32)16-19-11-13-36-26-5-3-2-4-20(19)26/h2-9,14,19H,10-13,15-17H2,1H3,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.0	25
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205902 (US9255090, 371) Show SMILES CCOc1ccc(CC(O)=O)cc1-c1ccc(F)c2CCN(Cc12)C(=O)OCc1cccc(C)n1 Show InChI InChI=1S/C27H27FN2O5/c1-3-34-25-10-7-18(14-26(31)32)13-22(25)20-8-9-24(28)21-11-12-30(15-23(20)21)27(33)35-16-19-6-4-5-17(2)29-19/h4-10,13H,3,11-12,14-16H2,1-2H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.0	25
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189203 (US9169270, 75) Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCc1ccccc1F Show InChI InChI=1S/C22H18ClFN2O5S/c23-14-5-6-18(30-11-19(27)28)15(9-14)20-21-17(25-12-32-21)7-8-26(20)22(29)31-10-13-3-1-2-4-16(13)24/h1-6,9,12,20H,7-8,10-11H2,(H,27,28)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM173248 (US9096595, 51) Show SMILES OC(=O)Cc1c2CCC(Cn2c2cc(Cl)ccc12)N(CC1CC1)c1ncc(F)cn1 Show InChI InChI=1S/C22H22ClFN4O2/c23-14-3-5-17-18(8-21(29)30)19-6-4-16(12-28(19)20(17)7-14)27(11-13-1-2-13)22-25-9-15(24)10-26-22/h3,5,7,9-10,13,16H,1-2,4,6,8,11-12H2,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd US Patent					Assay Description Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9096595 (2015) BindingDB Entry DOI: 10.7270/Q2X9292G
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205763 (US9255090, 232) Show SMILES CCOc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CC1COCc2ccccc12 Show InChI InChI=1S/C30H30FNO5/c1-2-37-28-13-19(14-30(34)35)7-8-25(28)23-9-10-27(31)24-11-12-32(16-26(23)24)29(33)15-21-18-36-17-20-5-3-4-6-22(20)21/h3-10,13,21H,2,11-12,14-18H2,1H3,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.0	25
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205769 (US9255090, 238) Show SMILES CCOc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CC(C)(C)c1ccccc1 Show InChI InChI=1S/C30H32FNO4/c1-4-36-27-16-20(17-29(34)35)10-11-24(27)22-12-13-26(31)23-14-15-32(19-25(22)23)28(33)18-30(2,3)21-8-6-5-7-9-21/h5-13,16H,4,14-15,17-19H2,1-3H3,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.0	25
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205861 (US9255090, 330) Show SMILES CCOc1ccc(CC(O)=O)cc1-c1ccc(F)c2CCN(Cc12)C(=O)C1CC1c1ccccn1 Show InChI InChI=1S/C28H27FN2O4/c1-2-35-26-9-6-17(14-27(32)33)13-21(26)18-7-8-24(29)19-10-12-31(16-23(18)19)28(34)22-15-20(22)25-5-3-4-11-30-25/h3-9,11,13,20,22H,2,10,12,14-16H2,1H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.0	25
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50555345 (CHEMBL4799528 | US11306078, Example 2.072) Show SMILES Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CCC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at CXCR7 (unknown origin) expressed in human U2OS cells co-expressing beta-arrestin assessed as reduction in CXCL12-alpha induced...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01588 BindingDB Entry DOI: 10.7270/Q20P13P3
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205691 (US9255090, 160) Show SMILES OC(=O)COc1ccc(OC(F)(F)F)c(c1)-c1ccc(F)c2CCN(Cc12)C(=O)[C@@H]1C[C@H]1c1ccccc1 Show InChI InChI=1S/C28H23F4NO5/c29-24-8-7-18(21-12-17(37-15-26(34)35)6-9-25(21)38-28(30,31)32)23-14-33(11-10-19(23)24)27(36)22-13-20(22)16-4-2-1-3-5-16/h1-9,12,20,22H,10-11,13-15H2,(H,34,35)/t20-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.670	n/a	n/a	n/a	n/a	7.0	25
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205723 (US9255090, 192) Show SMILES COc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CCOc1ccc(F)cc1 Show InChI InChI=1S/C27H25F2NO5/c1-34-25-14-17(15-27(32)33)2-7-22(25)20-8-9-24(29)21-10-12-30(16-23(20)21)26(31)11-13-35-19-5-3-18(28)4-6-19/h2-9,14H,10-13,15-16H2,1H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.690	n/a	n/a	n/a	n/a	7.0	25
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM173207 (US9096595, 10) Show SMILES CN(C1CCc2c(CC(O)=O)c3ccc(F)cc3n2C1)c1nc2cc(F)ccc2o1 Show InChI InChI=1S/C22H19F2N3O3/c1-26(22-25-17-8-12(23)3-7-20(17)30-22)14-4-6-18-16(10-21(28)29)15-5-2-13(24)9-19(15)27(18)11-14/h2-3,5,7-9,14H,4,6,10-11H2,1H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd US Patent					Assay Description Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9096595 (2015) BindingDB Entry DOI: 10.7270/Q2X9292G
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205965 (US9255090, 434) Show SMILES CCOc1ccc(CC(O)=O)cc1-c1ccc(F)c2CCN(Cc12)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C27H26F2N2O4/c1-2-35-25-10-5-18(14-26(32)33)13-22(25)20-8-9-24(29)21-11-12-31(16-23(20)21)27(34)30-15-17-3-6-19(28)7-4-17/h3-10,13H,2,11-12,14-16H2,1H3,(H,30,34)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.0	25
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189194 (US9169270, 66) Show SMILES OC(=O)COc1ccc(Cl)cc1[C@H]1N(CCc2ncsc12)C(=O)OCC1CCCCC1 Show InChI InChI=1S/C22H25ClN2O5S/c23-15-6-7-18(29-12-19(26)27)16(10-15)20-21-17(24-13-31-21)8-9-25(20)22(28)30-11-14-4-2-1-3-5-14/h6-7,10,13-14,20H,1-5,8-9,11-12H2,(H,26,27)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205736 (US9255090, 205 | US9255090, 206 | US9255090, 229) Show SMILES CCOc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CC1OCCc2ccccc12 Show InChI InChI=1S/C30H30FNO5/c1-2-36-27-15-19(16-30(34)35)7-8-24(27)22-9-10-26(31)23-11-13-32(18-25(22)23)29(33)17-28-21-6-4-3-5-20(21)12-14-37-28/h3-10,15,28H,2,11-14,16-18H2,1H3,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.0	25
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50555336 (CHEMBL4794973 | US11306078, Example 1.002b) Show SMILES Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(C[C@@H]2C(=O)NC2(CC2)c2ncccn2)C2CCCCC2)c(F)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at CXCR7 (unknown origin) expressed in human U2OS cells co-expressing beta-arrestin assessed as reduction in CXCL12-alpha induced...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01588 BindingDB Entry DOI: 10.7270/Q20P13P3
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205725 (US9255090, 194) Show SMILES COc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CCc1ccccc1C Show InChI InChI=1S/C28H28FNO4/c1-18-5-3-4-6-20(18)8-12-27(31)30-14-13-22-24(17-30)21(10-11-25(22)29)23-9-7-19(16-28(32)33)15-26(23)34-2/h3-7,9-11,15H,8,12-14,16-17H2,1-2H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.75	n/a	n/a	n/a	n/a	7.0	25
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205767 (US9255090, 236) Show SMILES CCOc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CC1CCOc2ccccc12 Show InChI InChI=1S/C30H30FNO5/c1-2-36-28-15-19(16-30(34)35)7-8-24(28)22-9-10-26(31)23-11-13-32(18-25(22)23)29(33)17-20-12-14-37-27-6-4-3-5-21(20)27/h3-10,15,20H,2,11-14,16-18H2,1H3,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.0	25
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205944 (US9255090, 413) Show SMILES OC(=O)Cc1ccc(OCC(F)F)c(c1)-c1ccc(F)c2CCN(Cc12)C(=O)OCc1ccccc1 Show InChI InChI=1S/C27H24F3NO5/c28-23-8-7-19(21-12-18(13-26(32)33)6-9-24(21)35-16-25(29)30)22-14-31(11-10-20(22)23)27(34)36-15-17-4-2-1-3-5-17/h1-9,12,25H,10-11,13-16H2,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.0	25
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM173229 (US9096595, 32) Show SMILES CN([C@H]1CCc2c(CC(O)=O)c3ccc(Cl)cc3n2C1)c1ncc(F)cn1 Show InChI InChI=1S/C19H18ClFN4O2/c1-24(19-22-8-12(21)9-23-19)13-3-5-16-15(7-18(26)27)14-4-2-11(20)6-17(14)25(16)10-13/h2,4,6,8-9,13H,3,5,7,10H2,1H3,(H,26,27)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd US Patent					Assay Description Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9096595 (2015) BindingDB Entry DOI: 10.7270/Q2X9292G
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205921 (US9255090, 390) Show SMILES CCOc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)OCc1cccc(C)n1 Show InChI InChI=1S/C27H27FN2O5/c1-3-34-25-13-18(14-26(31)32)7-8-22(25)20-9-10-24(28)21-11-12-30(15-23(20)21)27(33)35-16-19-6-4-5-17(2)29-19/h4-10,13H,3,11-12,14-16H2,1-2H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.0	25
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205827 (US9255090, 296) Show SMILES CC(C)Oc1ccc(CC(O)=O)cc1-c1ccc(F)c2CCN(Cc12)C(=O)CC1COCc2ccccc12 Show InChI InChI=1S/C31H32FNO5/c1-19(2)38-29-10-7-20(14-31(35)36)13-26(29)24-8-9-28(32)25-11-12-33(16-27(24)25)30(34)15-22-18-37-17-21-5-3-4-6-23(21)22/h3-10,13,19,22H,11-12,14-18H2,1-2H3,(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.0	25
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM173244 (US9096595, 47) Show SMILES COCCN(C1CCc2c(CC(O)=O)c3ccc(Cl)cc3n2C1)c1ncc(F)cn1 Show InChI InChI=1S/C21H22ClFN4O3/c1-30-7-6-26(21-24-10-14(23)11-25-21)15-3-5-18-17(9-20(28)29)16-4-2-13(22)8-19(16)27(18)12-15/h2,4,8,10-11,15H,3,5-7,9,12H2,1H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd US Patent					Assay Description Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9096595 (2015) BindingDB Entry DOI: 10.7270/Q2X9292G
					More data for this Ligand-Target Pair
Atypical chemokine receptor 3 (Homo sapiens (Human))	BDBM50555343 (CHEMBL4782111 | US11306078, Example 4.032) Show SMILES Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.864	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Insurmountable antagonist activity at CXCR7 (unknown origin) expressed in human U2OS cells co-expressing beta-arrestin assessed as reduction in CXCL1...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01588 BindingDB Entry DOI: 10.7270/Q20P13P3
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205718 (US9255090, 187) Show SMILES COc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CCCc1ccccc1 Show InChI InChI=1S/C28H28FNO4/c1-34-26-16-20(17-28(32)33)10-11-23(26)21-12-13-25(29)22-14-15-30(18-24(21)22)27(31)9-5-8-19-6-3-2-4-7-19/h2-4,6-7,10-13,16H,5,8-9,14-15,17-18H2,1H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.890	n/a	n/a	n/a	n/a	7.0	25
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM189191 (US9169270, 63) Show SMILES Cc1ccc(COC(=O)N2CCc3ncsc3[C@H]2c2cc(Cl)ccc2OCC(O)=O)c(C)c1 Show InChI InChI=1S/C24H23ClN2O5S/c1-14-3-4-16(15(2)9-14)11-32-24(30)27-8-7-19-23(33-13-26-19)22(27)18-10-17(25)5-6-20(18)31-12-21(28)29/h3-6,9-10,13,22H,7-8,11-12H2,1-2H3,(H,28,29)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	7.0	25
Actelion Pharmaceuticals Ltd. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 μl. First, 25 μl of test compound, previously diluted in Binding-Buffer (Binding...				US Patent US9169270 (2015) BindingDB Entry DOI: 10.7270/Q22R3QFG
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205765 (US9255090, 234) Show SMILES CCOc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)C[C@@H](C)c1ccccc1 Show InChI InChI=1S/C29H30FNO4/c1-3-35-27-16-20(17-29(33)34)9-10-24(27)22-11-12-26(30)23-13-14-31(18-25(22)23)28(32)15-19(2)21-7-5-4-6-8-21/h4-12,16,19H,3,13-15,17-18H2,1-2H3,(H,33,34)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	7.0	25
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205738 (US9255090, 207 | US9255090, 208 | US9255090, 227) Show SMILES CCOc1ccc(CC(O)=O)cc1-c1ccc(F)c2CCN(Cc12)C(=O)CC1COc2ccccc12 Show InChI InChI=1S/C29H28FNO5/c1-2-35-27-10-7-18(14-29(33)34)13-23(27)21-8-9-25(30)22-11-12-31(16-24(21)22)28(32)15-19-17-36-26-6-4-3-5-20(19)26/h3-10,13,19H,2,11-12,14-17H2,1H3,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	7.0	25
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205875 (US9255090, 344) Show SMILES CCOc1cc(CC(O)=O)ccc1-c1ccc(F)c2CCN(Cc12)C(=O)CC(C)c1ccccn1 Show InChI InChI=1S/C28H29FN2O4/c1-3-35-26-15-19(16-28(33)34)7-8-22(26)20-9-10-24(29)21-11-13-31(17-23(20)21)27(32)14-18(2)25-6-4-5-12-30-25/h4-10,12,15,18H,3,11,13-14,16-17H2,1-2H3,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	7.0	25
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM205866 (US9255090, 335) Show SMILES CCOc1ccc(CC(O)=O)cc1-c1ccc(F)c2CCN(Cc12)C(=O)CC1CCOc2cc(F)ccc12 Show InChI InChI=1S/C30H29F2NO5/c1-2-37-27-8-3-18(14-30(35)36)13-24(27)22-6-7-26(32)23-9-11-33(17-25(22)23)29(34)15-19-10-12-38-28-16-20(31)4-5-21(19)28/h3-8,13,16,19H,2,9-12,14-15,17H2,1H3,(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	7.0	25
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description Binding assay was performed in a final assay volume of 250 ul. First, 25 ul of test compound, previously diluted in Binding-Buffer (Binding-Buffer: 5...				US Patent US9255090 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60B2
					More data for this Ligand-Target Pair

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