Compile Data Set for Download or QSAR

Found 370 hits with Last Name = 'solovay' and Initial = 'cf'   

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
Interleukin-1 beta (Homo sapiens (Human))	BDBM531296 (US11208399, Example 53) Show SMILES CN1CCC[C@H](C1)Nc1cc(c(nn1)-c1ccc(cc1O)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531223 ((R)-2-(4-Methyl-6-((1-methylpiperidin-3-yl)amino)p...) Show SMILES CN1CCC[C@H](C1)Nc1cc(C)c(nn1)-c1ccc(cc1O)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM134531 (US8846656, 23-I) Show SMILES CO[C@@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1cc(nn1C)C1CC1)-c1c(C)ccc2[nH]nc(C)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt 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	n/a	n/a
Novartis AG US Patent					Assay Description Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...				US Patent US8846656 (2014) BindingDB Entry DOI: 10.7270/Q2JW8CKR
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM134505 (US8846656, 21-D) Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1c(C)cccc1C |r| Show InChI InChI=1S/C32H42N4O/c1-20(2)25-12-11-21(3)29(18-25)35-15-14-28-27(19-35)32(36-16-13-26(37-7)17-24(36)6)34-31(33-28)30-22(4)9-8-10-23(30)5/h8-12,18,20,24,26H,13-17,19H2,1-7H3/t24-,26-/m1/s1	PDB KEGG UniProtKB/SwissProt 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	n/a	n/a
Novartis AG US Patent					Assay Description Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...				US Patent US8846656 (2014) BindingDB Entry DOI: 10.7270/Q2JW8CKR
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531253 (US11208399, Example 12) Show SMILES CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531331 (US11208399, Example 82) Show SMILES CN1CCC[C@H](C1)Nc1cc(C)c(nn1)-c1ccc(OC(F)(F)F)cc1O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531332 (US11208399, Example 83a) Show SMILES Cc1cc(OC(F)(F)F)cc(O)c1-c1ccc(N[C@@H]2CCCN3CCC[C@H]23)nn1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531288 (US11208399, Example 47) Show SMILES CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(C)cc1O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531289 (US11208399, Example 48) Show SMILES CN1CCC[C@H](C1)Nc1nnc(c(C)c1C)-c1ccc(cc1O)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531220 ((R)-2-(6-((1-Ethylpiperidin-3-yl)amino)pyridazin-3...) Show SMILES CCN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531319 (US11208399, Example 71) Show SMILES CN1CCC[C@H](C1)Nc1cc(C)c(nn1)-c1ccc(Cl)cc1O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531230 (US11208399, Example 6) Show SMILES Cc1cc(cc(O)c1-c1ccc(N[C@@H]2CCCN(CCO)C2)nn1)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM134577 (US8846656, 55-M) Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1c(Cl)c(nn1C)C1CC1)-c1c(C)ccc2[nH]nc(C)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...				US Patent US8846656 (2014) BindingDB Entry DOI: 10.7270/Q2JW8CKR
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM134586 (US8846656, 65-A) Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(N3CC(C3)N(C)C)c2C1)-c1c(C)ccc2[nH]nc(C)c12 Show InChI InChI=1S/C31H39N7/c1-18(2)22-10-8-19(3)27(14-22)37-13-12-25-24(17-37)31(38-15-23(16-38)36(6)7)33-30(32-25)28-20(4)9-11-26-29(28)21(5)34-35-26/h8-11,14,18,23H,12-13,15-17H2,1-7H3,(H,34,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...				US Patent US8846656 (2014) BindingDB Entry DOI: 10.7270/Q2JW8CKR
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM134512 (US8846656, 21-R) Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C1(C)COC1)-c1c(C)ccc2[nH]nc(C)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...				US Patent US8846656 (2014) BindingDB Entry DOI: 10.7270/Q2JW8CKR
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM134500 (US8846656, 19-AF) Show SMILES CO[C@@H]1CCN(C[C@H]1C)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1c(C)ccc2[nH]nc(C)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...				US Patent US8846656 (2014) BindingDB Entry DOI: 10.7270/Q2JW8CKR
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM134574 (US8846656, 55-I) Show SMILES CO[C@@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1c(Cl)c(nn1C)C(F)F)-c1c(C)ccc2[nH]nc(C)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...				US Patent US8846656 (2014) BindingDB Entry DOI: 10.7270/Q2JW8CKR
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM134523 (US8846656, 21-AL) Show SMILES CCO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1c(C)ccc2[nH]nc(C)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...				US Patent US8846656 (2014) BindingDB Entry DOI: 10.7270/Q2JW8CKR
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM134524 (US8846656, 21-AM) Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(N3CCCC[C@H]3C)c2C1)-c1c(C)ccc2[nH]nc(C)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...				US Patent US8846656 (2014) BindingDB Entry DOI: 10.7270/Q2JW8CKR
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM134582 (US8846656, 56-F) Show SMILES CO[C@@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1c(F)c(nn1C)C(F)F)-c1c(C)ccc2[nH]nc(C)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...				US Patent US8846656 (2014) BindingDB Entry DOI: 10.7270/Q2JW8CKR
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM134518 (US8846656, 21-AG) Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(Cl)ccc1C)-c1c(C)ccc2[nH]nc(C)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...				US Patent US8846656 (2014) BindingDB Entry DOI: 10.7270/Q2JW8CKR
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM134580 (US8846656, 56-C) Show SMILES CO[C@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1c(F)c(nn1C)C1CC1)-c1c(C)ccc2[nH]nc(C)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...				US Patent US8846656 (2014) BindingDB Entry DOI: 10.7270/Q2JW8CKR
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM134569 (US8846656, 52-C) Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(N3CCN(CC(N)=O)C[C@H]3C)c2C1)-c1cccc2[nH]cc(C)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...				US Patent US8846656 (2014) BindingDB Entry DOI: 10.7270/Q2JW8CKR
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM134530 (US8846656, 23-H) Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(nn1C)C1CC1)-c1c(C)ccc2[nH]nc(C)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...				US Patent US8846656 (2014) BindingDB Entry DOI: 10.7270/Q2JW8CKR
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM134511 (US8846656, 21-Q) Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1c(C)ccc2[nH]nc(C)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...				US Patent US8846656 (2014) BindingDB Entry DOI: 10.7270/Q2JW8CKR
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM134520 (US8846656, 21-AI) Show SMILES CO[C@@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1c(C)ccc2[nH]nc(C)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...				US Patent US8846656 (2014) BindingDB Entry DOI: 10.7270/Q2JW8CKR
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM134519 (US8846656, 21-AH) Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(F)(F)F)-c1c(C)ccc2[nH]nc(C)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...				US Patent US8846656 (2014) BindingDB Entry DOI: 10.7270/Q2JW8CKR
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM134589 (US8846656, 65-I) Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(N3CCC3C)c2C1)-c1c(C)ccc2[nH]nc(C)c12 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...				US Patent US8846656 (2014) BindingDB Entry DOI: 10.7270/Q2JW8CKR
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM134596 (US8846656, 69-L) Show SMILES Cc1n[nH]c2ccc(C)c(-c3nc4CCN(Cc4c(n3)N3CC[C@@H]4OC[C@]4(C)C3)c3c(Cl)c(nn3C)C3CC3)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...				US Patent US8846656 (2014) BindingDB Entry DOI: 10.7270/Q2JW8CKR
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531254 (US11208399, Example 13) Show SMILES Cc1cc(nnc1N[C@@H]1CCCN(CCO)C1)-c1c(C)cc(cc1O)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531252 (US11208399, Example 11) Show SMILES CCN1CCC[C@H](C1)Nc1nnc(cc1C#N)-c1c(C)cc(cc1O)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531337 (3-Methyl-2-(6-(((1R,2R,5R)-8-methyl-8-azabicyclo[3...) Show SMILES CN1C2CCC1C(CC2)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F |TLB:0:1:6.7.8:3.4,THB:9:6:1:3.4| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531354 (2-(6-(((3S, 5S)-5-Fluoro-1-methylpiperidin-3-yl)am...) Show SMILES CN1C[C@@H](F)C[C@@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531291 (US11208399, Example 49) Show SMILES CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(O)cc(cc1Cl)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531339 (2-(6-(((1S,2S,5S)-8-(2-Hydroxyethyl)-8-azabicyclo[...) Show SMILES Cc1cc(cc(O)c1-c1ccc(NC2CCC3CCC2N3CCO)nn1)C(F)(F)F |TLB:12:13:20:17.18,THB:21:20:13.14.15:17.18| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531364 ((R)-2-(6-((1-Ethylpiperidin-3-yl)amino)-5-methylpy...) Show SMILES CCN1CCC[C@H](C1)Nc1nnc(cc1C)-c1c(C)cc(cc1O)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531232 (US11208399, Example 7) Show SMILES CC(C)N1CCCC(C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM134546 (US8846656, 29) Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(N3CCN([C@H](C)C3)S(C)(=O)=O)c2C1)-c1cccc2[nH]cc(C)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...				US Patent US8846656 (2014) BindingDB Entry DOI: 10.7270/Q2JW8CKR
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM134502 (US8846656, 19-AI) Show SMILES CO[C@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1c(C)ccc2[nH]nc(C)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...				US Patent US8846656 (2014) BindingDB Entry DOI: 10.7270/Q2JW8CKR
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM134572 (US8846656, 55-G) Show SMILES CO[C@@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1c(Cl)c(nn1C)C1CC1)-c1c(C)ccc2[nH]nc(C)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...				US Patent US8846656 (2014) BindingDB Entry DOI: 10.7270/Q2JW8CKR
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM134601 (US8846656, 71-B) Show SMILES CCn1nc(C2CC2)c(F)c1N1CCc2nc(nc(N3CC[C@@H](OC)C(C)(C)C3)c2C1)-c1c(C)ccc2[nH]nc(C)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...				US Patent US8846656 (2014) BindingDB Entry DOI: 10.7270/Q2JW8CKR
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM134590 (US8846656, 65-K) Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(N3CCOC[C@H]3C)c2C1)-c1c(C)ccc2[nH]nc(C)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...				US Patent US8846656 (2014) BindingDB Entry DOI: 10.7270/Q2JW8CKR
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM134587 (US8846656, 65-B) Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(N3CC[C@H](C3)N(C)C)c2C1)-c1c(C)ccc2[nH]nc(C)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...				US Patent US8846656 (2014) BindingDB Entry DOI: 10.7270/Q2JW8CKR
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM134591 (US8846656, 68-B) Show SMILES CCOC1CN(C1)c1nc(nc2CCN(Cc12)c1c(Cl)c(nn1C)C1CC1)-c1c(C)ccc2[nH]nc(C)c12 Show InChI InChI=1S/C28H33ClN8O/c1-5-38-18-12-37(13-18)27-19-14-36(28-24(29)25(17-7-8-17)34-35(28)4)11-10-20(19)30-26(31-27)22-15(2)6-9-21-23(22)16(3)32-33-21/h6,9,17-18H,5,7-8,10-14H2,1-4H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...				US Patent US8846656 (2014) BindingDB Entry DOI: 10.7270/Q2JW8CKR
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM134581 (US8846656, 56-E) Show SMILES CCO[C@@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1c(F)c(nn1C)C1CC1)-c1c(C)ccc2[nH]nc(C)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...				US Patent US8846656 (2014) BindingDB Entry DOI: 10.7270/Q2JW8CKR
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM134507 (US8846656, 21-K) Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C1(C)COC1)-c1c(C)cccc1C |r| Show InChI InChI=1S/C33H42N4O2/c1-21-10-11-25(33(5)19-39-20-33)17-29(21)36-14-13-28-27(18-36)32(37-15-12-26(38-6)16-24(37)4)35-31(34-28)30-22(2)8-7-9-23(30)3/h7-11,17,24,26H,12-16,18-20H2,1-6H3/t24-,26-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...				US Patent US8846656 (2014) BindingDB Entry DOI: 10.7270/Q2JW8CKR
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM134509 (US8846656, 21-N) Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(OC)ccc1C)-c1c(C)cccc1C |r| Show InChI InChI=1S/C30H38N4O2/c1-19-10-11-23(35-5)17-27(19)33-14-13-26-25(18-33)30(34-15-12-24(36-6)16-22(34)4)32-29(31-26)28-20(2)8-7-9-21(28)3/h7-11,17,22,24H,12-16,18H2,1-6H3/t22-,24-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...				US Patent US8846656 (2014) BindingDB Entry DOI: 10.7270/Q2JW8CKR
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM134579 (US8846656, 56-B) Show SMILES CO[C@@H]1C[C@@H]2CC[C@H](C1)N2c1nc(nc2CCN(Cc12)c1c(F)c(nn1C)C1CC1)-c1c(C)ccc2[nH]nc(C)c12 |r,THB:10:9:3.2.8:6.5| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...				US Patent US8846656 (2014) BindingDB Entry DOI: 10.7270/Q2JW8CKR
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM134551 (US8846656, 32-B) Show SMILES CO[C@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1c(C)ccc2[nH]nc(Cl)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...				US Patent US8846656 (2014) BindingDB Entry DOI: 10.7270/Q2JW8CKR
					More data for this Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1 (Homo sapiens (Human))	BDBM134529 (US8846656, 23-G) Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(nn1C)C(C)C)-c1c(C)ccc2[nH]nc(C)c12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...				US Patent US8846656 (2014) BindingDB Entry DOI: 10.7270/Q2JW8CKR
					More data for this Ligand-Target Pair

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