Compile Data Set for Download or QSAR

Found 212 hits Enz. Inhib. hit(s) with Target = 'Complement C1r subcomponent'   

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
Complement C1r subcomponent (Homo sapiens (Human))	BDBM108110 (US8598206, Table 6, 19) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2ccccc2)cc1 |r| Show InChI InChI=1S/C35H46N6O4S/c36-33(37)30-17-14-28(15-18-30)24-39-34(42)31(19-16-27-20-22-38-23-21-27)40-35(43)32(13-7-12-26-8-3-1-4-9-26)41-46(44,45)25-29-10-5-2-6-11-29/h1-6,8-11,14-15,17-18,27,31-32,38,41H,7,12-13,16,19-25H2,(H3,36,37)(H,39,42)(H,40,43)/t31-,32+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of human Complement C1r subcomponent using Val-Ser-Arg-pNA as substrate				J Med Chem 63: 1445-1472 (2020) Article DOI: 10.1021/acs.jmedchem.9b01060 BindingDB Entry DOI: 10.7270/Q2VQ361P
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM108098 (US8598206, Table 6, 7) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCC2CCN(CC2)C(=O)C2CC2)NS(=O)(=O)Cc2ccccc2)cc1 |r| Show InChI InChI=1S/C37H53N7O5S/c38-34(39)30-10-6-28(7-11-30)24-41-35(45)32(14-8-26-16-20-40-21-17-26)42-36(46)33(43-50(48,49)25-29-4-2-1-3-5-29)15-9-27-18-22-44(23-19-27)37(47)31-12-13-31/h1-7,10-11,26-27,31-33,40,43H,8-9,12-25H2,(H3,38,39)(H,41,45)(H,42,46)/t32-,33+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of human Complement C1r subcomponent using Val-Ser-Arg-pNA as substrate				J Med Chem 63: 1445-1472 (2020) Article DOI: 10.1021/acs.jmedchem.9b01060 BindingDB Entry DOI: 10.7270/Q2VQ361P
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM50369774 (SEPIMOSTAT MESYLATE | Sepimostat) Show SMILES NC(=N)c1ccc2cc(OC(=O)c3ccc(NC4=NCCN4)cc3)ccc2c1 |t:17| Show InChI InChI=1S/C21H19N5O2/c22-19(23)16-2-1-15-12-18(8-5-14(15)11-16)28-20(27)13-3-6-17(7-4-13)26-21-24-9-10-25-21/h1-8,11-12H,9-10H2,(H3,22,23)(H2,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Binding affinity against factor C1r.				J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM108106 (US8598206, Table 6, 15) Show SMILES CCCC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r| Show InChI InChI=1S/C37H55N7O5S/c1-2-6-34(45)44-23-19-28(20-24-44)12-16-33(43-50(48,49)26-30-7-4-3-5-8-30)37(47)42-32(15-11-27-17-21-40-22-18-27)36(46)41-25-29-9-13-31(14-10-29)35(38)39/h3-5,7-10,13-14,27-28,32-33,40,43H,2,6,11-12,15-26H2,1H3,(H3,38,39)(H,41,46)(H,42,47)/t32-,33+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description Inhibition of human C1r was determined by the method described in [0092]-[0098] using native human activated C1r complement component from Calbiochem...				US Patent US8598206 (2013) BindingDB Entry DOI: 10.7270/Q25T3J5F
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM108095 (US8598206, Table 6, 4) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(c2)C(O)=O)cc1 |r| Show InChI InChI=1S/C36H46N6O6S/c37-33(38)29-15-12-27(13-16-29)23-40-34(43)31(17-14-26-18-20-39-21-19-26)41-35(44)32(11-5-8-25-6-2-1-3-7-25)42-49(47,48)24-28-9-4-10-30(22-28)36(45)46/h1-4,6-7,9-10,12-13,15-16,22,26,31-32,39,42H,5,8,11,14,17-21,23-24H2,(H3,37,38)(H,40,43)(H,41,44)(H,45,46)/t31-,32+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description Inhibition of human C1r was determined by the method described in [0092]-[0098] using native human activated C1r complement component from Calbiochem...				US Patent US8598206 (2013) BindingDB Entry DOI: 10.7270/Q25T3J5F
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM108105 (US8598206, Table 6, 14) Show SMILES CNC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r| Show InChI InChI=1S/C35H52N8O5S/c1-38-35(46)43-21-17-26(18-22-43)10-14-31(42-49(47,48)24-28-5-3-2-4-6-28)34(45)41-30(13-9-25-15-19-39-20-16-25)33(44)40-23-27-7-11-29(12-8-27)32(36)37/h2-8,11-12,25-26,30-31,39,42H,9-10,13-24H2,1H3,(H3,36,37)(H,38,46)(H,40,44)(H,41,45)/t30-,31+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description Inhibition of human C1r was determined by the method described in [0092]-[0098] using native human activated C1r complement component from Calbiochem...				US Patent US8598206 (2013) BindingDB Entry DOI: 10.7270/Q25T3J5F
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM108107 (US8598206, Table 6, 16) Show SMILES COC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r| Show InChI InChI=1S/C35H51N7O6S/c1-48-35(45)42-21-17-26(18-22-42)10-14-31(41-49(46,47)24-28-5-3-2-4-6-28)34(44)40-30(13-9-25-15-19-38-20-16-25)33(43)39-23-27-7-11-29(12-8-27)32(36)37/h2-8,11-12,25-26,30-31,38,41H,9-10,13-24H2,1H3,(H3,36,37)(H,39,43)(H,40,44)/t30-,31+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description Inhibition of human C1r was determined by the method described in [0092]-[0098] using native human activated C1r complement component from Calbiochem...				US Patent US8598206 (2013) BindingDB Entry DOI: 10.7270/Q25T3J5F
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM47178 (BDBM108103 | US8598206, Table 6, 12) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCc2ccncc2)NS(=O)(=O)Cc2ccccc2)cc1 |r| Show InChI InChI=1S/C33H43N7O4S/c34-31(35)28-10-6-26(7-11-28)22-38-32(41)29(12-8-24-14-18-36-19-15-24)39-33(42)30(13-9-25-16-20-37-21-17-25)40-45(43,44)23-27-4-2-1-3-5-27/h1-7,10-11,16-17,20-21,24,29-30,36,40H,8-9,12-15,18-19,22-23H2,(H3,34,35)(H,38,41)(H,39,42)/t29-,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description Inhibition of human C1r was determined by the method described in [0092]-[0098] using native human activated C1r complement component from Calbiochem...				US Patent US8598206 (2013) BindingDB Entry DOI: 10.7270/Q25T3J5F
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM108116 (US8598206, Table 6, 3) Show SMILES COC(=O)c1cccc(CS(=O)(=O)N[C@H](CCCc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)c1 |r| Show InChI InChI=1S/C37H48N6O6S/c1-49-37(46)31-11-5-10-29(23-31)25-50(47,48)43-33(12-6-9-26-7-3-2-4-8-26)36(45)42-32(18-15-27-19-21-40-22-20-27)35(44)41-24-28-13-16-30(17-14-28)34(38)39/h2-5,7-8,10-11,13-14,16-17,23,27,32-33,40,43H,6,9,12,15,18-22,24-25H2,1H3,(H3,38,39)(H,41,44)(H,42,45)/t32-,33+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description Inhibition of human C1r was determined by the method described in [0092]-[0098] using native human activated C1r complement component from Calbiochem...				US Patent US8598206 (2013) BindingDB Entry DOI: 10.7270/Q25T3J5F
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM108108 (US8598206, 117 | US8598206, 123) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCC2=CC=[N](O)C=C2)NS(=O)(=O)Cc2ccccc2)cc1 |r,wU:23.35,11.20,c:33,t:28,30,(11.34,1.93,;10,2.7,;10,4.23,;8.67,1.93,;8.67,.38,;7.34,-.38,;6,.38,;4.67,-.38,;3.33,.38,;2,-.38,;2,-1.93,;.67,.38,;.67,1.93,;2,2.69,;2,4.23,;3.33,5,;3.33,6.54,;2,7.31,;.67,6.54,;.67,5,;-.67,-.38,;-2,.38,;-2,1.93,;-3.33,-.38,;-3.33,-1.93,;-2,-2.69,;-2,-4.23,;-.67,-5,;-.67,-6.54,;.67,-7.31,;2,-6.54,;3.33,-7.31,;2,-5,;.67,-4.23,;-4.67,.38,;-6,-.38,;-6.77,-1.72,;-5.23,-1.72,;-7.34,.38,;-8.67,-.38,;-10,.38,;-11.34,-.38,;-11.34,-1.93,;-10,-2.69,;-8.67,-1.93,;6,1.93,;7.34,2.69,)| Show InChI InChI=1S/C34H46N7O5S/c35-32(36)29-12-9-27(10-13-29)23-38-33(42)30(14-11-26-15-19-37-20-16-26)39-34(43)31(8-4-7-25-17-21-41(44)22-18-25)40-47(45,46)24-28-5-2-1-3-6-28/h1-3,5-6,9-10,12-13,17-18,21-22,26,30-31,37,40,44H,4,7-8,11,14-16,19-20,23-24H2,(H3,35,36)(H,38,42)(H,39,43)/t30-,31+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description Inhibition of human C1r was determined by the method described in [0092]-[0098] using native human activated C1r complement component from Calbiochem...				US Patent US8598206 (2013) BindingDB Entry DOI: 10.7270/Q25T3J5F
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM108109 (US8598206, 118 | US8598206, 122) Show SMILES CC(C)C(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r| Show InChI InChI=1S/C37H55N7O5S/c1-26(2)37(47)44-22-18-28(19-23-44)11-15-33(43-50(48,49)25-30-6-4-3-5-7-30)36(46)42-32(14-10-27-16-20-40-21-17-27)35(45)41-24-29-8-12-31(13-9-29)34(38)39/h3-9,12-13,26-28,32-33,40,43H,10-11,14-25H2,1-2H3,(H3,38,39)(H,41,45)(H,42,46)/t32-,33+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description Inhibition of human C1r was determined by the method described in [0092]-[0098] using native human activated C1r complement component from Calbiochem...				US Patent US8598206 (2013) BindingDB Entry DOI: 10.7270/Q25T3J5F
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM108109 (US8598206, 118 | US8598206, 122) Show SMILES CC(C)C(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r| Show InChI InChI=1S/C37H55N7O5S/c1-26(2)37(47)44-22-18-28(19-23-44)11-15-33(43-50(48,49)25-30-6-4-3-5-7-30)36(46)42-32(14-10-27-16-20-40-21-17-27)35(45)41-24-29-8-12-31(13-9-29)34(38)39/h3-9,12-13,26-28,32-33,40,43H,10-11,14-25H2,1-2H3,(H3,38,39)(H,41,45)(H,42,46)/t32-,33+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description Inhibition of human C1r was determined by the method described in [0092]-[0098] using native human activated C1r complement component from Calbiochem...				US Patent US8598206 (2013) BindingDB Entry DOI: 10.7270/Q25T3J5F
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM108108 (US8598206, 117 | US8598206, 123) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCC2=CC=[N](O)C=C2)NS(=O)(=O)Cc2ccccc2)cc1 |r,wU:23.35,11.20,c:33,t:28,30,(11.34,1.93,;10,2.7,;10,4.23,;8.67,1.93,;8.67,.38,;7.34,-.38,;6,.38,;4.67,-.38,;3.33,.38,;2,-.38,;2,-1.93,;.67,.38,;.67,1.93,;2,2.69,;2,4.23,;3.33,5,;3.33,6.54,;2,7.31,;.67,6.54,;.67,5,;-.67,-.38,;-2,.38,;-2,1.93,;-3.33,-.38,;-3.33,-1.93,;-2,-2.69,;-2,-4.23,;-.67,-5,;-.67,-6.54,;.67,-7.31,;2,-6.54,;3.33,-7.31,;2,-5,;.67,-4.23,;-4.67,.38,;-6,-.38,;-6.77,-1.72,;-5.23,-1.72,;-7.34,.38,;-8.67,-.38,;-10,.38,;-11.34,-.38,;-11.34,-1.93,;-10,-2.69,;-8.67,-1.93,;6,1.93,;7.34,2.69,)| Show InChI InChI=1S/C34H46N7O5S/c35-32(36)29-12-9-27(10-13-29)23-38-33(42)30(14-11-26-15-19-37-20-16-26)39-34(43)31(8-4-7-25-17-21-41(44)22-18-25)40-47(45,46)24-28-5-2-1-3-6-28/h1-3,5-6,9-10,12-13,17-18,21-22,26,30-31,37,40,44H,4,7-8,11,14-16,19-20,23-24H2,(H3,35,36)(H,38,42)(H,39,43)/t30-,31+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description Inhibition of human C1r was determined by the method described in [0092]-[0098] using native human activated C1r complement component from Calbiochem...				US Patent US8598206 (2013) BindingDB Entry DOI: 10.7270/Q25T3J5F
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM108099 (US8598206, Table 6, 8) Show SMILES CCC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r| Show InChI InChI=1S/C36H53N7O5S/c1-2-33(44)43-22-18-27(19-23-43)11-15-32(42-49(47,48)25-29-6-4-3-5-7-29)36(46)41-31(14-10-26-16-20-39-21-17-26)35(45)40-24-28-8-12-30(13-9-28)34(37)38/h3-9,12-13,26-27,31-32,39,42H,2,10-11,14-25H2,1H3,(H3,37,38)(H,40,45)(H,41,46)/t31-,32+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description Inhibition of human C1r was determined by the method described in [0092]-[0098] using native human activated C1r complement component from Calbiochem...				US Patent US8598206 (2013) BindingDB Entry DOI: 10.7270/Q25T3J5F
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM50425648 (CHEMBL2315243) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CCN4CCN(CC4)CCC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r,wU:38.39,wD:11.10,(46.28,-21.08,;46.25,-22.61,;47.58,-23.4,;44.91,-23.37,;44.89,-24.91,;43.54,-25.65,;42.23,-24.87,;40.88,-25.62,;39.56,-24.83,;38.22,-25.58,;38.2,-27.12,;36.89,-24.79,;35.55,-25.54,;35.54,-27.08,;34.2,-27.85,;34.19,-29.38,;35.52,-30.16,;35.62,-31.71,;36.95,-32.47,;38.28,-31.7,;36.96,-34.01,;35.64,-34.78,;34.31,-34.02,;32.98,-34.79,;31.65,-34.04,;31.65,-32.51,;32.96,-31.72,;34.3,-32.49,;30.32,-31.75,;30.3,-30.22,;28.97,-29.47,;27.65,-30.24,;28.95,-27.93,;30.28,-27.15,;30.26,-25.61,;31.59,-24.83,;32.93,-25.59,;34.25,-24.82,;34.24,-23.28,;32.9,-22.51,;31.57,-23.3,;30.79,-24.63,;32.33,-24.63,;30.23,-22.53,;28.9,-23.31,;27.57,-22.54,;26.24,-23.32,;26.23,-24.86,;27.57,-25.63,;28.91,-24.86,;35.57,-22.49,;35.56,-20.95,;36.91,-23.25,;32.95,-27.13,;31.63,-27.92,;36.86,-29.39,;36.86,-27.86,;42.24,-23.33,;43.58,-22.57,)| Show InChI InChI=1S/C43H51N9O6S/c44-41(45)34-12-6-32(7-13-34)28-46-42(55)37-26-30-8-14-35(15-9-30)47-39(53)18-20-51-22-24-52(25-23-51)21-19-40(54)48-36-16-10-31(11-17-36)27-38(43(56)49-37)50-59(57,58)29-33-4-2-1-3-5-33/h1-17,37-38,50H,18-29H2,(H3,44,45)(H,46,55)(H,47,53)(H,48,54)(H,49,56)/t37-,38+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of human C1r				J Med Chem 56: 820-31 (2013) Article DOI: 10.1021/jm3012917 BindingDB Entry DOI: 10.7270/Q2RB75W8
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM108096 (US8598206, Table 6, 5) Show SMILES CC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r| Show InChI InChI=1S/C35H51N7O5S/c1-25(43)42-21-17-27(18-22-42)10-14-32(41-48(46,47)24-29-5-3-2-4-6-29)35(45)40-31(13-9-26-15-19-38-20-16-26)34(44)39-23-28-7-11-30(12-8-28)33(36)37/h2-8,11-12,26-27,31-32,38,41H,9-10,13-24H2,1H3,(H3,36,37)(H,39,44)(H,40,45)/t31-,32+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description Inhibition of human C1r was determined by the method described in [0092]-[0098] using native human activated C1r complement component from Calbiochem...				US Patent US8598206 (2013) BindingDB Entry DOI: 10.7270/Q25T3J5F
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM108117 (US8598206, Table 6, 2) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2ccncc2)NS(=O)(=O)Cc2ccccc2)cc1 |r| Show InChI InChI=1S/C34H45N7O4S/c35-32(36)29-12-9-27(10-13-29)23-39-33(42)30(14-11-26-17-21-38-22-18-26)40-34(43)31(8-4-7-25-15-19-37-20-16-25)41-46(44,45)24-28-5-2-1-3-6-28/h1-3,5-6,9-10,12-13,15-16,19-20,26,30-31,38,41H,4,7-8,11,14,17-18,21-24H2,(H3,35,36)(H,39,42)(H,40,43)/t30-,31+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description Inhibition of human C1r was determined by the method described in [0092]-[0098] using native human activated C1r complement component from Calbiochem...				US Patent US8598206 (2013) BindingDB Entry DOI: 10.7270/Q25T3J5F
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM108104 (US8598206, Table 6, 13) Show SMILES CN(C)C(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r| Show InChI InChI=1S/C36H54N8O5S/c1-43(2)36(47)44-22-18-27(19-23-44)11-15-32(42-50(48,49)25-29-6-4-3-5-7-29)35(46)41-31(14-10-26-16-20-39-21-17-26)34(45)40-24-28-8-12-30(13-9-28)33(37)38/h3-9,12-13,26-27,31-32,39,42H,10-11,14-25H2,1-2H3,(H3,37,38)(H,40,45)(H,41,46)/t31-,32+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description Inhibition of human C1r was determined by the method described in [0092]-[0098] using native human activated C1r complement component from Calbiochem...				US Patent US8598206 (2013) BindingDB Entry DOI: 10.7270/Q25T3J5F
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM108112 (US8598206, Table 6, 21) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCC2=CC=[N](O)C=C2)NS(=O)(=O)Cc2ccccc2)cc1 |r,wU:23.34,11.20,c:32,t:27,29,(11.34,2.69,;10,3.47,;10,5,;8.67,2.69,;8.67,1.15,;7.34,.38,;6,1.15,;4.67,.38,;3.33,1.15,;2,.38,;2,-1.15,;.67,1.15,;.67,2.69,;2,3.47,;2,5,;3.33,5.78,;3.33,7.31,;2,8.08,;.67,7.31,;.67,5.78,;-.67,.38,;-2,1.15,;-2,2.69,;-3.33,.38,;-3.33,-1.15,;-2,-1.93,;-2,-3.47,;-3.33,-4.23,;-3.33,-5.78,;-2,-6.54,;-2,-8.08,;-.67,-5.78,;-.67,-4.23,;-4.67,1.15,;-6,.38,;-6.77,-.95,;-5.23,-.95,;-7.34,1.15,;-8.67,.38,;-10,1.15,;-11.34,.38,;-11.34,-1.15,;-10,-1.93,;-8.67,-1.15,;6,2.69,;7.34,3.47,)| Show InChI InChI=1S/C33H44N7O5S/c34-31(35)28-10-6-26(7-11-28)22-37-32(41)29(12-8-24-14-18-36-19-15-24)38-33(42)30(13-9-25-16-20-40(43)21-17-25)39-46(44,45)23-27-4-2-1-3-5-27/h1-7,10-11,16-17,20-21,24,29-30,36,39,43H,8-9,12-15,18-19,22-23H2,(H3,34,35)(H,37,41)(H,38,42)/t29-,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description Inhibition of human C1r was determined by the method described in [0092]-[0098] using native human activated C1r complement component from Calbiochem...				US Patent US8598206 (2013) BindingDB Entry DOI: 10.7270/Q25T3J5F
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM50425649 (CHEMBL2315239) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCN(CC4)CC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r,wU:36.37,wD:11.10,(23.09,-3.13,;23.07,-4.67,;24.39,-5.45,;21.73,-5.42,;21.7,-6.96,;20.35,-7.7,;19.04,-6.92,;17.69,-7.67,;16.38,-6.89,;15.03,-7.63,;15.01,-9.17,;13.71,-6.85,;12.36,-7.6,;12.35,-9.14,;11.01,-9.9,;11,-11.44,;12.33,-12.22,;12.32,-13.75,;10.99,-14.51,;10.98,-16.04,;9.67,-13.73,;8.33,-14.49,;7.02,-13.72,;5.69,-14.47,;5.67,-16,;6.99,-16.78,;8.33,-16.03,;4.33,-16.75,;5.78,-11.52,;7.12,-12.28,;5.77,-9.99,;7.09,-9.21,;7.08,-7.67,;8.4,-6.89,;9.74,-7.65,;11.07,-6.87,;11.05,-5.33,;9.71,-4.57,;8.38,-5.36,;7.6,-6.68,;9.15,-6.68,;7.04,-4.59,;5.72,-5.37,;4.38,-4.6,;3.05,-5.37,;3.05,-6.92,;4.38,-7.69,;5.72,-6.92,;12.38,-4.54,;12.37,-3,;13.72,-5.31,;9.76,-9.18,;8.44,-9.97,;13.67,-11.45,;13.68,-9.91,;19.05,-5.39,;20.39,-4.63,)| Show InChI InChI=1S/C41H47N9O6S/c42-39(43)32-12-6-30(7-13-32)24-44-40(53)35-22-28-8-14-33(15-9-28)45-37(51)25-49-18-20-50(21-19-49)26-38(52)46-34-16-10-29(11-17-34)23-36(41(54)47-35)48-57(55,56)27-31-4-2-1-3-5-31/h1-17,35-36,48H,18-27H2,(H3,42,43)(H,44,53)(H,45,51)(H,46,52)(H,47,54)/t35-,36+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Inhibition of human C1r				J Med Chem 56: 820-31 (2013) Article DOI: 10.1021/jm3012917 BindingDB Entry DOI: 10.7270/Q2RB75W8
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM108102 (US8598206, Table 6, 11) Show SMILES COCC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r| Show InChI InChI=1S/C36H53N7O6S/c1-49-24-33(44)43-21-17-27(18-22-43)10-14-32(42-50(47,48)25-29-5-3-2-4-6-29)36(46)41-31(13-9-26-15-19-39-20-16-26)35(45)40-23-28-7-11-30(12-8-28)34(37)38/h2-8,11-12,26-27,31-32,39,42H,9-10,13-25H2,1H3,(H3,37,38)(H,40,45)(H,41,46)/t31-,32+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description Inhibition of human C1r was determined by the method described in [0092]-[0098] using native human activated C1r complement component from Calbiochem...				US Patent US8598206 (2013) BindingDB Entry DOI: 10.7270/Q25T3J5F
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM108097 (US8598206, Table 6, 6) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCC2CCNCC2)NS(=O)(=O)Cc2ccccc2)cc1 |r| Show InChI InChI=1S/C34H51N7O4S/c35-32(36)29-12-9-27(10-13-29)23-39-33(42)30(14-11-26-17-21-38-22-18-26)40-34(43)31(8-4-7-25-15-19-37-20-16-25)41-46(44,45)24-28-5-2-1-3-6-28/h1-3,5-6,9-10,12-13,25-26,30-31,37-38,41H,4,7-8,11,14-24H2,(H3,35,36)(H,39,42)(H,40,43)/t30-,31+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description Inhibition of human C1r was determined by the method described in [0092]-[0098] using native human activated C1r complement component from Calbiochem...				US Patent US8598206 (2013) BindingDB Entry DOI: 10.7270/Q25T3J5F
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM108098 (US8598206, Table 6, 7) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCC2CCN(CC2)C(=O)C2CC2)NS(=O)(=O)Cc2ccccc2)cc1 |r| Show InChI InChI=1S/C37H53N7O5S/c38-34(39)30-10-6-28(7-11-30)24-41-35(45)32(14-8-26-16-20-40-21-17-26)42-36(46)33(43-50(48,49)25-29-4-2-1-3-5-29)15-9-27-18-22-44(23-19-27)37(47)31-12-13-31/h1-7,10-11,26-27,31-33,40,43H,8-9,12-25H2,(H3,38,39)(H,41,45)(H,42,46)/t32-,33+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description Inhibition of human C1r was determined by the method described in [0092]-[0098] using native human activated C1r complement component from Calbiochem...				US Patent US8598206 (2013) BindingDB Entry DOI: 10.7270/Q25T3J5F
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM47177 (BDBM108100 | US8598206, Table 6, 9) Show SMILES CC(=O)N1CCC(CCC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r| Show InChI InChI=1S/C36H53N7O5S/c1-26(44)43-22-18-27(19-23-43)8-5-9-33(42-49(47,48)25-30-6-3-2-4-7-30)36(46)41-32(15-12-28-16-20-39-21-17-28)35(45)40-24-29-10-13-31(14-11-29)34(37)38/h2-4,6-7,10-11,13-14,27-28,32-33,39,42H,5,8-9,12,15-25H2,1H3,(H3,37,38)(H,40,45)(H,41,46)/t32-,33+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description Inhibition of human C1r was determined by the method described in [0092]-[0098] using native human activated C1r complement component from Calbiochem...				US Patent US8598206 (2013) BindingDB Entry DOI: 10.7270/Q25T3J5F
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM108101 (US8598206, Table 6, 10) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCC2CCNCC2)NS(=O)(=O)Cc2ccccc2)cc1 |r| Show InChI InChI=1S/C33H49N7O4S/c34-31(35)28-10-6-26(7-11-28)22-38-32(41)29(12-8-24-14-18-36-19-15-24)39-33(42)30(13-9-25-16-20-37-21-17-25)40-45(43,44)23-27-4-2-1-3-5-27/h1-7,10-11,24-25,29-30,36-37,40H,8-9,12-23H2,(H3,34,35)(H,38,41)(H,39,42)/t29-,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description Inhibition of human C1r was determined by the method described in [0092]-[0098] using native human activated C1r complement component from Calbiochem...				US Patent US8598206 (2013) BindingDB Entry DOI: 10.7270/Q25T3J5F
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM108115 (US8598206, Table 6, 24) Show SMILES COC(=O)N1CCC(CCC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r| Show InChI InChI=1S/C36H53N7O6S/c1-49-36(46)43-22-18-26(19-23-43)8-5-9-32(42-50(47,48)25-29-6-3-2-4-7-29)35(45)41-31(15-12-27-16-20-39-21-17-27)34(44)40-24-28-10-13-30(14-11-28)33(37)38/h2-4,6-7,10-11,13-14,26-27,31-32,39,42H,5,8-9,12,15-25H2,1H3,(H3,37,38)(H,40,44)(H,41,45)/t31-,32+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description Inhibition of human C1r was determined by the method described in [0092]-[0098] using native human activated C1r complement component from Calbiochem...				US Patent US8598206 (2013) BindingDB Entry DOI: 10.7270/Q25T3J5F
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM50063701 (2-(2-Iodo-phenylamino)-naphtho[2,3-d][1,3]oxazin-4...) Show SMILES Ic1ccccc1Nc1nc2cc3ccccc3cc2c(=O)o1 Show InChI InChI=1S/C18H11IN2O2/c19-14-7-3-4-8-15(14)20-18-21-16-10-12-6-2-1-5-11(12)9-13(16)17(22)23-18/h1-10H,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of 50% of human C1r Serine Protease by initially using CbzGly-Arg-S-Bzl as substrate				J Med Chem 41: 1060-7 (1998) Article DOI: 10.1021/jm970394d BindingDB Entry DOI: 10.7270/Q2PZ57ZT
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM50063745 (2-(2-Iodo-phenylamino)-7-trifluoromethyl-benzo[d][...) Show SMILES FC(F)(F)c1ccc2c(c1)nc(Nc1ccccc1I)oc2=O Show InChI InChI=1S/C15H8F3IN2O2/c16-15(17,18)8-5-6-9-12(7-8)21-14(23-13(9)22)20-11-4-2-1-3-10(11)19/h1-7H,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of 50% of human C1r Serine Protease by initially using CbzGly-Arg-S-Bzl as substrate				J Med Chem 41: 1060-7 (1998) Article DOI: 10.1021/jm970394d BindingDB Entry DOI: 10.7270/Q2PZ57ZT
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM50063726 (7-Chloro-2-(2,6-dichloro-phenylamino)-benzo[d][1,3...) Show SMILES Clc1ccc2c(c1)nc(Nc1c(Cl)cccc1Cl)oc2=O Show InChI InChI=1S/C14H7Cl3N2O2/c15-7-4-5-8-11(6-7)18-14(21-13(8)20)19-12-9(16)2-1-3-10(12)17/h1-6H,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of 50% of human C1r Serine Protease by initially using CbzGly-Arg-S-Bzl as substrate				J Med Chem 41: 1060-7 (1998) Article DOI: 10.1021/jm970394d BindingDB Entry DOI: 10.7270/Q2PZ57ZT
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM50063745 (2-(2-Iodo-phenylamino)-7-trifluoromethyl-benzo[d][...) Show SMILES FC(F)(F)c1ccc2c(c1)nc(Nc1ccccc1I)oc2=O Show InChI InChI=1S/C15H8F3IN2O2/c16-15(17,18)8-5-6-9-12(7-8)21-14(23-13(9)22)20-11-4-2-1-3-10(11)19/h1-7H,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Compound was evaluated in vitro for inhibitory activity against purified human C1r protease protease				Bioorg Med Chem Lett 9: 815-20 (1999) BindingDB Entry DOI: 10.7270/Q29G5M0K
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM50063722 (6,7-Dichloro-2-(2-iodo-phenylamino)-benzo[d][1,3]o...) Show SMILES Clc1cc2nc(Nc3ccccc3I)oc(=O)c2cc1Cl Show InChI InChI=1S/C14H7Cl2IN2O2/c15-8-5-7-12(6-9(8)16)19-14(21-13(7)20)18-11-4-2-1-3-10(11)17/h1-6H,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of 50% of human C1r Serine Protease by initially using CbzGly-Arg-S-Bzl as substrate				J Med Chem 41: 1060-7 (1998) Article DOI: 10.1021/jm970394d BindingDB Entry DOI: 10.7270/Q2PZ57ZT
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM50462100 (CHEMBL4247936) Show SMILES CC(C)[C@@H](NC(=O)Cc1c(Cl)cccc1Cl)C(=O)N1CC=CC1C(=O)NCc1ccc(s1)C(N)=N |r,c:21| Show InChI InChI=1S/C24H27Cl2N5O3S/c1-13(2)21(30-20(32)11-15-16(25)5-3-6-17(15)26)24(34)31-10-4-7-18(31)23(33)29-12-14-8-9-19(35-14)22(27)28/h3-9,13,18,21H,10-12H2,1-2H3,(H3,27,28)(H,29,33)(H,30,32)/t18?,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human plasma C1r using Cbz-Gly-Arg-S-Bzl as substrate preincubated for 10 mins followed by substrate addition and measured after 30 min...				J Med Chem 61: 3253-3276 (2018) Article DOI: 10.1021/acs.jmedchem.7b00882 BindingDB Entry DOI: 10.7270/Q2MK6GJ9
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM50063711 (7-Chloro-2-(2-iodo-phenylamino)-benzo[d][1,3]oxazi...) Show SMILES Clc1ccc2c(c1)nc(Nc1ccccc1I)oc2=O Show InChI InChI=1S/C14H8ClIN2O2/c15-8-5-6-9-12(7-8)18-14(20-13(9)19)17-11-4-2-1-3-10(11)16/h1-7H,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of 50% of human C1r Serine Protease by initially using CbzGly-Arg-S-Bzl as substrate				J Med Chem 41: 1060-7 (1998) Article DOI: 10.1021/jm970394d BindingDB Entry DOI: 10.7270/Q2PZ57ZT
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM50289007 (2-(2-Iodo-phenyl)-naphtho[2,3-d][1,3]oxazin-4-one ...) Show SMILES Ic1ccccc1-c1nc2cc3ccccc3cc2c(=O)o1 Show InChI InChI=1S/C18H10INO2/c19-15-8-4-3-7-13(15)17-20-16-10-12-6-2-1-5-11(12)9-14(16)18(21)22-17/h1-10H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of C1r serine protease				Bioorg Med Chem Lett 6: 679-682 (1996) Article DOI: 10.1016/0960-894X(96)00094-7 BindingDB Entry DOI: 10.7270/Q2P84BVF
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM50075982 (4-Methoxy-N-methyl-N-(4-oxo-4H-benzo[d][1,3]oxazin...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1nc2ccccc2c(=O)o1 Show InChI InChI=1S/C16H14N2O5S/c1-18(24(20,21)12-9-7-11(22-2)8-10-12)16-17-14-6-4-3-5-13(14)15(19)23-16/h3-10H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro inhibition of purified human C1r protease.				Bioorg Med Chem Lett 9: 815-20 (1999) BindingDB Entry DOI: 10.7270/Q29G5M0K
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM50063723 (2-(2-Iodo-phenylamino)-7-methyl-benzo[d][1,3]oxazi...) Show SMILES Cc1ccc2c(c1)nc(Nc1ccccc1I)oc2=O Show InChI InChI=1S/C15H11IN2O2/c1-9-6-7-10-13(8-9)18-15(20-14(10)19)17-12-5-3-2-4-11(12)16/h2-8H,1H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of 50% of human C1r Serine Protease by initially using CbzGly-Arg-S-Bzl as substrate				J Med Chem 41: 1060-7 (1998) Article DOI: 10.1021/jm970394d BindingDB Entry DOI: 10.7270/Q2PZ57ZT
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM50063698 (4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...) Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7] Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human serum C1r using AAME as substrate after 30 mins				J Med Chem 61: 3253-3276 (2018) Article DOI: 10.1021/acs.jmedchem.7b00882 BindingDB Entry DOI: 10.7270/Q2MK6GJ9
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM50063717 (7-Chloro-2-(2-chloro-phenylamino)-benzo[d][1,3]oxa...) Show SMILES Clc1ccc2c(c1)nc(Nc1ccccc1Cl)oc2=O Show InChI InChI=1S/C14H8Cl2N2O2/c15-8-5-6-9-12(7-8)18-14(20-13(9)19)17-11-4-2-1-3-10(11)16/h1-7H,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of 50% of human C1r Serine Protease by initially using CbzGly-Arg-S-Bzl as substrate				J Med Chem 41: 1060-7 (1998) Article DOI: 10.1021/jm970394d BindingDB Entry DOI: 10.7270/Q2PZ57ZT
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM50063721 (2-(2-Iodo-phenylamino)-7-nitro-benzo[d][1,3]oxazin...) Show SMILES [O-][N+](=O)c1ccc2c(c1)nc(Nc1ccccc1I)oc2=O Show InChI InChI=1S/C14H8IN3O4/c15-10-3-1-2-4-11(10)16-14-17-12-7-8(18(20)21)5-6-9(12)13(19)22-14/h1-7H,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of 50% of human C1r Serine Protease by initially using CbzGly-Arg-S-Bzl as substrate				J Med Chem 41: 1060-7 (1998) Article DOI: 10.1021/jm970394d BindingDB Entry DOI: 10.7270/Q2PZ57ZT
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM50063717 (7-Chloro-2-(2-chloro-phenylamino)-benzo[d][1,3]oxa...) Show SMILES Clc1ccc2c(c1)nc(Nc1ccccc1Cl)oc2=O Show InChI InChI=1S/C14H8Cl2N2O2/c15-8-5-6-9-12(7-8)18-14(20-13(9)19)17-11-4-2-1-3-10(11)16/h1-7H,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description 50% inhibition of human C1r serine protease after 60 mins using CbzGly-Arg-S-Bzl as substrate				J Med Chem 41: 1060-7 (1998) Article DOI: 10.1021/jm970394d BindingDB Entry DOI: 10.7270/Q2PZ57ZT
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM50063732 (2-(2-Chloro-phenylamino)-7-methyl-benzo[d][1,3]oxa...) Show SMILES Cc1ccc2c(c1)nc(Nc1ccccc1Cl)oc2=O Show InChI InChI=1S/C15H11ClN2O2/c1-9-6-7-10-13(8-9)18-15(20-14(10)19)17-12-5-3-2-4-11(12)16/h2-8H,1H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description 50% inhibition of human C1r serine protease after 60 mins using CbzGly-Arg-S-Bzl as substrate				J Med Chem 41: 1060-7 (1998) Article DOI: 10.1021/jm970394d BindingDB Entry DOI: 10.7270/Q2PZ57ZT
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM50063724 (2-(2,6-Dichloro-phenylamino)-benzo[d][1,3]oxazin-4...) Show SMILES Clc1cccc(Cl)c1Nc1nc2ccccc2c(=O)o1 Show InChI InChI=1S/C14H8Cl2N2O2/c15-9-5-3-6-10(16)12(9)18-14-17-11-7-2-1-4-8(11)13(19)20-14/h1-7H,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of 50% of human C1r Serine Protease by initially using CbzGly-Arg-S-Bzl as substrate				J Med Chem 41: 1060-7 (1998) Article DOI: 10.1021/jm970394d BindingDB Entry DOI: 10.7270/Q2PZ57ZT
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM50063711 (7-Chloro-2-(2-iodo-phenylamino)-benzo[d][1,3]oxazi...) Show SMILES Clc1ccc2c(c1)nc(Nc1ccccc1I)oc2=O Show InChI InChI=1S/C14H8ClIN2O2/c15-8-5-6-9-12(7-8)18-14(20-13(9)19)17-11-4-2-1-3-10(11)16/h1-7H,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description 50% inhibition of human C1r serine protease after 60 mins using CbzGly-Arg-S-Bzl as substrate				J Med Chem 41: 1060-7 (1998) Article DOI: 10.1021/jm970394d BindingDB Entry DOI: 10.7270/Q2PZ57ZT
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM50063726 (7-Chloro-2-(2,6-dichloro-phenylamino)-benzo[d][1,3...) Show SMILES Clc1ccc2c(c1)nc(Nc1c(Cl)cccc1Cl)oc2=O Show InChI InChI=1S/C14H7Cl3N2O2/c15-7-4-5-8-11(6-7)18-14(21-13(8)20)19-12-9(16)2-1-3-10(12)17/h1-6H,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description 50% inhibition of human C1r serine protease after 60 mins using CbzGly-Arg-S-Bzl as substrate				J Med Chem 41: 1060-7 (1998) Article DOI: 10.1021/jm970394d BindingDB Entry DOI: 10.7270/Q2PZ57ZT
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM50063724 (2-(2,6-Dichloro-phenylamino)-benzo[d][1,3]oxazin-4...) Show SMILES Clc1cccc(Cl)c1Nc1nc2ccccc2c(=O)o1 Show InChI InChI=1S/C14H8Cl2N2O2/c15-9-5-3-6-10(16)12(9)18-14-17-11-7-2-1-4-8(11)13(19)20-14/h1-7H,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description 50% inhibition of human C1r serine protease after 60 mins using CbzGly-Arg-S-Bzl as substrate				J Med Chem 41: 1060-7 (1998) Article DOI: 10.1021/jm970394d BindingDB Entry DOI: 10.7270/Q2PZ57ZT
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM50063698 (4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...) Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7] Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against C1r serine protease				Bioorg Med Chem Lett 6: 679-682 (1996) Article DOI: 10.1016/0960-894X(96)00094-7 BindingDB Entry DOI: 10.7270/Q2P84BVF
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM50063698 (4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...) Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7] Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against C1r serine protease				Bioorg Med Chem Lett 6: 679-682 (1996) Article DOI: 10.1016/0960-894X(96)00094-7 BindingDB Entry DOI: 10.7270/Q2P84BVF
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM50063703 (2-(2-Iodo-phenyl)-benzo[d][1,3]oxazin-4-one | CHEM...) Show SMILES Ic1ccccc1-c1nc2ccccc2c(=O)o1 Show InChI InChI=1S/C14H8INO2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(17)18-13/h1-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against C1r serine protease				Bioorg Med Chem Lett 6: 679-682 (1996) Article DOI: 10.1016/0960-894X(96)00094-7 BindingDB Entry DOI: 10.7270/Q2P84BVF
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM50063703 (2-(2-Iodo-phenyl)-benzo[d][1,3]oxazin-4-one | CHEM...) Show SMILES Ic1ccccc1-c1nc2ccccc2c(=O)o1 Show InChI InChI=1S/C14H8INO2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(17)18-13/h1-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against C1r serine protease				Bioorg Med Chem Lett 6: 679-682 (1996) Article DOI: 10.1016/0960-894X(96)00094-7 BindingDB Entry DOI: 10.7270/Q2P84BVF
					More data for this Ligand-Target Pair
Complement C1r subcomponent (Homo sapiens (Human))	BDBM50063732 (2-(2-Chloro-phenylamino)-7-methyl-benzo[d][1,3]oxa...) Show SMILES Cc1ccc2c(c1)nc(Nc1ccccc1Cl)oc2=O Show InChI InChI=1S/C15H11ClN2O2/c1-9-6-7-10-13(8-9)18-15(20-14(10)19)17-12-5-3-2-4-11(12)16/h2-8H,1H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of 50% of human C1r Serine Protease by initially using CbzGly-Arg-S-Bzl as substrate				J Med Chem 41: 1060-7 (1998) Article DOI: 10.1021/jm970394d BindingDB Entry DOI: 10.7270/Q2PZ57ZT
					More data for this Ligand-Target Pair

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