Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Complement C3' and Ligand = 'BDBM50462096'   

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 C3 (Homo sapiens (Human))	BDBM50462096 (CHEMBL4247287) Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cn(C)c3ccccc23)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N(C)[C@@H]([C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C76H110N22O17S2/c1-12-39(5)62(86-42(8)99)73(113)93-55-35-116-117-36-56(75(115)98(11)63(64(78)104)40(6)13-2)94-66(106)49(22-18-26-82-76(79)80)87-69(109)52(29-45-32-81-37-84-45)89-65(105)41(7)85-59(101)34-97(10)74(114)54(27-43-31-83-48-21-16-14-19-46(43)48)92-70(110)53(30-60(102)103)90-67(107)50(24-25-58(77)100)88-68(108)51(91-72(112)61(38(3)4)95-71(55)111)28-44-33-96(9)57-23-17-15-20-47(44)57/h14-17,19-21,23,31-33,37-41,49-56,61-63,83H,12-13,18,22,24-30,34-36H2,1-11H3,(H2,77,100)(H2,78,104)(H,81,84)(H,85,101)(H,86,99)(H,87,109)(H,88,108)(H,89,105)(H,90,107)(H,91,112)(H,92,110)(H,93,113)(H,94,106)(H,95,111)(H,102,103)(H4,79,80,82)/t39-,40-,41-,49-,50-,51-,52-,53-,54-,55-,56-,61-,62-,63-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of C3 in human serum by ELISA				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 C3 (Homo sapiens (Human))	BDBM50462096 (CHEMBL4247287) Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cn(C)c3ccccc23)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N(C)[C@@H]([C@@H](C)CC)C(N)=O |r| Show InChI InChI=1S/C76H110N22O17S2/c1-12-39(5)62(86-42(8)99)73(113)93-55-35-116-117-36-56(75(115)98(11)63(64(78)104)40(6)13-2)94-66(106)49(22-18-26-82-76(79)80)87-69(109)52(29-45-32-81-37-84-45)89-65(105)41(7)85-59(101)34-97(10)74(114)54(27-43-31-83-48-21-16-14-19-46(43)48)92-70(110)53(30-60(102)103)90-67(107)50(24-25-58(77)100)88-68(108)51(91-72(112)61(38(3)4)95-71(55)111)28-44-33-96(9)57-23-17-15-20-47(44)57/h14-17,19-21,23,31-33,37-41,49-56,61-63,83H,12-13,18,22,24-30,34-36H2,1-11H3,(H2,77,100)(H2,78,104)(H,81,84)(H,85,101)(H,86,99)(H,87,109)(H,88,108)(H,89,105)(H,90,107)(H,91,112)(H,92,110)(H,93,113)(H,94,106)(H,95,111)(H,102,103)(H4,79,80,82)/t39-,40-,41-,49-,50-,51-,52-,53-,54-,55-,56-,61-,62-,63-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Binding affinity to C3 derived from human plasma by ITC analysis				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